A0A087XT33_POEFO Loading...

Transcription factor E4F1

AlphaFold DB , UniProt , Accession A0A087XT33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 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	35.2	Very low	32	Very low	249 Å²	249	163.9 Å²	163.9	100%	1.227	87%	0.865	S	S	*	*				0	99.9	0	-63.5	-80.5	-82	0	0	107.9
2	G	30.9	Very low	32	Very low	77 Å²	77	162.8 Å²	162.8	79%	0.794	86%	0.857	S	S	*	*			cis	-166.4	132.9	-6.7	0	0	0	0	0	103.9
3	R	37.3	Very low	32.2	Very low	247 Å²	247	166.3 Å²	166.3	93%	0.932	86%	0.861	S	S	*	*			trans	-73.6	141	-179	-63.6	177	-178.6	-166	0	110
4	G	28.7	Very low	32.1	Very low	86 Å²	86	162.3 Å²	162.3	89%	0.887	85%	0.847	S	S	*	*			trans	-122.2	107.6	166.6	0	0	0	0	0	110.5
5	H	32.5	Very low	32	Very low	157 Å²	157	160.1 Å²	160.1	73%	0.727	84%	0.843	S	S	*	*			trans	-91.6	145.4	-175.9	-115.8	-21.6	0	0	0	112.4
6	R	33.3	Very low	32	Very low	215 Å²	215	159.9 Å²	159.9	81%	0.811	84%	0.843	S	S	*	*			trans	65.2	130.9	143.1	-75.5	-178.9	174.5	175.7	-1.1	120.3
7	K	29.8	Very low	32	Very low	196 Å²	196	161.1 Å²	161.1	85%	0.852	84%	0.843	S	S	*	*				-160.4	118.3	93.4	-100.8	169.8	-177.2	177.4	0	112.5
8	K	34.2	Very low	32.1	Very low	210 Å²	210	157.9 Å²	157.9	91%	0.913	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.8	130.1	152.3	-77.9	178.6	173.5	-178.7	0	106.7
9	I	31.7	Very low	32.4	Very low	158 Å²	158	157.6 Å²	157.6	81%	0.81	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-101.7	126.1	164.1	-63	176.6	0	0	0	106.8
10	A	28.7	Very low	32.6	Very low	81 Å²	81	160.1 Å²	160.1	67%	0.669	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-72.3	153.5	-175.6	0	0	0	0	0	112.1	I12	A10-I12 PolarHBondContact O-N 3.48Å
11	S	30.2	Very low	32.6	Very low	127 Å²	127	158.1 Å²	158.1	89%	0.888	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-53.1	120.2	166.8	-41.3	0	0	0	0	110.6
12	I	31.8	Very low	32.7	Very low	150 Å²	150	150.1 Å²	150.1	77%	0.769	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-94.2	120.2	169.1	-66.1	173.9	0	0	0	107.3	A10 V14	A10-I12 PolarHBondContact O-N 3.48Å; I12-V14 HydrophobicContact CG2-CB 4.44Å; I12-V14 HydrophobicContact CG2-CG2 3.66Å
13	K	34.6	Very low	32.9	Very low	209 Å²	209	151.4 Å²	151.4	91%	0.909	80%	0.804	S	S	*	*			trans	-104.3	110.1	170.9	-152.7	-177.5	-169.8	-175	0	106.2
14	V	30.9	Very low	33.1	Very low	110 Å²	110	148.5 Å²	148.5	67%	0.667	80%	0.799	S	S	*	*			trans	-148.5	91.8	173.6	178.6	0	0	0	0	105.2	I12	I12-V14 HydrophobicContact CG2-CB 4.44Å; I12-V14 HydrophobicContact CG2-CG2 3.66Å
15	T	29.9	Very low	33.3	Very low	129 Å²	129	152.5 Å²	152.5	79%	0.791	79%	0.794	S	S	*	*				57.1	120.8	104.9	57.9	0	0	0	0	114.7
16	D	32.6	Very low	33.5	Very low	158 Å²	158	150.1 Å²	150.1	85%	0.845	80%	0.795	S	S	*	*			trans	-35.2	126.9	165.8	-113.8	-30.2	0	0	0	113.8
17	Q	32.1	Very low	33.3	Very low	179 Å²	179	148.9 Å²	148.9	84%	0.836	80%	0.799	S	S	*	*			trans	173.4	122.8	130.4	-94.4	167.3	35.8	0	0	112.3
18	S	33	Very low	33.5	Very low	105 Å²	105	146.6 Å²	146.6	73%	0.734	80%	0.796	S	S	*	*			trans	57.7	116.2	147.2	64.2	0	0	0	0	121.3
19	D	38.8	Very low	33.8	Very low	151 Å²	151	141.6 Å²	141.6	81%	0.807	79%	0.793	S	S	*	*			trans	35.7	100.3	139.1	-67.5	-33.4	0	0	0	119
20	K	35.3	Very low	34	Very low	207 Å²	207	141.2 Å²	141.2	90%	0.9	79%	0.793	S	S	*	*			trans	-174.6	124.4	137.8	-97.1	147.6	-168.9	-179.8	0	110.9	A22	K20-A22 PolarHBondContact O-N 3.35Å; K20-A22 VanDerWaalsContact O-N 3.14Å
21	S	33.3	Very low	34.6	Very low	119 Å²	119	141.4 Å²	141.4	83%	0.832	80%	0.803	S	S	*	*			trans	-63.3	105.4	170.5	52.8	0	0	0	0	110.8	T23	S21-T23 PolarHBondContact O-N 2.97Å
22	A	36.9	Very low	35.1	Very low	81 Å²	81	143.1 Å²	143.1	67%	0.669	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.9	116.6	178.1	0	0	0	0	0	111.2	K20 F24	K20-A22 PolarHBondContact O-N 3.35Å; K20-A22 VanDerWaalsContact O-N 3.14Å; A22-F24 HydrophobicContact CB-CE2 4.29Å
23	T	36.3	Very low	35.5	Very low	104 Å²	104	145.1 Å²	145.1	64%	0.638	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88	124.2	169.3	-13.2	0	0	0	0	107.6	S21	S21-T23 PolarHBondContact O-N 2.97Å
24	F	39.7	Very low	36.2	Very low	187 Å²	187	140.1 Å²	140.1	82%	0.82	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-100.6	119.3	174.5	-86.7	-86.4	0	0	0	109.8	A22	A22-F24 HydrophobicContact CB-CE2 4.29Å
25	E	33.7	Very low	36.9	Very low	169 Å²	169	139.7 Å²	139.7	79%	0.79	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-94.1	127.6	174.5	-63.8	-179.7	165.3	0	0	109.1
26	S	36.6	Very low	38.2	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	76%	0.755	S	S	*	*			trans	-124	114.1	167.1	72.2	0	0	0	0	108.9
27	E	29.5	Very low	39.6	Very low	190 Å²	190	135.7 Å²	135.7	89%	0.888	75%	0.745	S	S	*	*			trans	-70.5	131.6	176.1	-64.7	-179.8	153.9	0	0	110.6
28	N	33.7	Very low	41.4	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	73%	0.727	S	S	*	*			trans	-132.6	148.5	159	-85.4	-54.5	0	0	0	108.9	D30	N28-D30 PolarHBondContact O-N 3.09Å
29	A	41.3	Very low	43.1	Very low	104 Å²	104	129.4 Å²	129.4	86%	0.86	71%	0.712	S	S	*	*	S	Bend	trans	-70.8	18.5	-157	0	0	0	0	0	118
30	D	35.6	Very low	44.3	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	72%	0.72	S	S	*	*	S	Bend	trans	-130.8	78.6	176.2	-72.7	-42.7	0	0	0	110.2	N28 E32	N28-D30 PolarHBondContact O-N 3.09Å; D30-E32 PolarHBondContact O-N 3.27Å
31	G	40.8	Very low	45.8	Very low	85 Å²	85	129.4 Å²	129.4	88%	0.876	71%	0.71	S	S	*	*	S	Bend	trans	49.4	-3.1	142.4	0	0	0	0	0	123.2
32	E	40	Very low	47.6	Very low	162 Å²	162	125.8 Å²	125.8	76%	0.757	69%	0.691	S	S	*	*			trans	-121	96.3	177.4	-70.8	-172.2	173.3	0	0	109.7	D30 Q34	D30-E32 PolarHBondContact O-N 3.27Å; E32-Q34 PolarHBondContact O-N 3.21Å
33	Q	40.7	Very low	49.5	Very low	193 Å²	193	126.4 Å²	126.4	90%	0.902	68%	0.676	S	S	*	*			trans	-63.3	97.4	170.4	-80.3	167.5	-27.3	0	0	109.7
34	Q	50.1	Low	51.6	Low	104 Å²	104	124.8 Å²	124.8	49%	0.486	66%	0.659	S	S	.	*			trans	-102.9	95.6	170.4	-116.2	162.3	28.6	0	0	109.8	E32 F36	E32-Q34 PolarHBondContact O-N 3.21Å; Q34-F36 HydrophobicContact CB-CE1 4.31Å; Q34-F36 HydrophobicContact CB-CE2 4.06Å; Q34-F36 HydrophobicContact CB-CZ 3.75Å; Q34-F36 HydrophobicContact CG-CZ 4.35Å; Q34-F36 VanDerWaalsContact O-CD2 3.23Å; Q34-F36 WeakPolarHBondContact O-CD2 3.22Å; Q34-F36 VanDerWaalsContact O-CE2 3.28Å; Q34-F36 WeakPolarHBondContact O-CE2 3.48Å; Q34-F36 PolarHBondContact O-N 3.12Å
35	T	45.7	Very low	53.4	Low	101 Å²	101	117.2 Å²	117.2	62%	0.62	63%	0.627	S	S	*	*			trans	-69	111.5	173.9	54.2	0	0	0	0	109.5
36	F	57.6	Low	55.6	Low	54 Å²	54	109.1 Å²	109.1	24%	0.237	59%	0.589	C	S	.	*			trans	-97.2	127.9	175.2	-57.9	-72.1	0	0	0	110.2	Q34 L59	Q34-F36 HydrophobicContact CB-CE1 4.31Å; Q34-F36 HydrophobicContact CB-CE2 4.06Å; Q34-F36 HydrophobicContact CB-CZ 3.75Å; Q34-F36 HydrophobicContact CG-CZ 4.35Å; Q34-F36 VanDerWaalsContact O-CD2 3.23Å; Q34-F36 WeakPolarHBondContact O-CD2 3.22Å; Q34-F36 VanDerWaalsContact O-CE2 3.28Å; Q34-F36 WeakPolarHBondContact O-CE2 3.48Å; Q34-F36 PolarHBondContact O-N 3.12Å; F36-L59 HydrophobicContact CB-CD2 4.46Å; F36-L59 HydrophobicContact CD1-CD2 3.51Å; F36-L59 HydrophobicContact CD1-CG 4.43Å; F36-L59 HydrophobicContact CE1-CD2 4.08Å; F36-L59 HydrophobicContact CG-CD2 4.22Å
37	K	60.9	Low	57.3	Low	149 Å²	149	109.3 Å²	109.3	65%	0.648	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.1	128.7	171.5	-69.3	-176.8	179.5	-180	0	109.3	I45	K37-I45 HydrophobicContact CB-CB 4.4Å; K37-I45 HydrophobicContact CB-CD1 4.09Å; K37-I45 WeakPolarHBondContact O-CG1 3.47Å; K37-I45 PolarHBondContact O-N 3.02Å
38	V	69.7	Low	59.4	Low	76 Å²	76	105.2 Å²	105.2	46%	0.461	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	128.4	176.5	-177.2	0	0	0	0	107.9	R43 Y44	V38-R43 WeakPolarHBondContact CA-O 3.39Å; V38-Y44 HydrophobicContact CG2-CD1 3.77Å; V38-Y44 HydrophobicContact CG2-CE1 3.86Å
39	N	69.9	Low	61.4	Low	76 Å²	76	100.3 Å²	100.3	41%	0.406	54%	0.538	S	S	.	.			trans	-72.4	164.8	174.9	-92.6	-10.1	0	0	0	111.2	E41 G42 R43 I45	N39-E41 PolarHBondContact O-N 3.27Å; N39-G42 PolarHBondContact O-N 3.25Å; N39-R43 PolarHBondContact N-O 3.35Å; N39-I45 HydrophobicContact CB-CD1 4.29Å; N39-I45 HydrophobicContact CB-CG1 4.49Å; N39-I45 WeakPolarHBondContact OD1-CD1 3.48Å
40	Q	62	Low	63	Low	212 Å²	212	103 Å²	103	99%	0.991	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.6	177.6	-62.8	179.8	6.3	0	0	113.5
41	E	67.2	Low	64.9	Low	146 Å²	146	101.8 Å²	101.8	68%	0.682	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.8	174.4	-60.1	-175.3	178.5	0	0	115.2	N39 R43	N39-E41 PolarHBondContact O-N 3.27Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 HydrophobicContact CB-CG 4.35Å; E41-R43 PolarHBondContact O-N 3.48Å; E41-R43 IonicContact OE2-CZ 2.66Å; E41-R43 IonicContact OE2-NE 2.81Å; E41-R43 PolarHBondContact OE2-NE 3.4Å; E41-R43 IonicContact OE2-NH2 3.9Å
42	G	71.1	Confident	66.8	Low	43 Å²	43	100.7 Å²	100.7	44%	0.443	50%	0.497	S	S	.	.	S	Bend	trans	74.1	15.8	-176.6	0	0	0	0	0	114.8	N39	N39-G42 PolarHBondContact O-N 3.25Å
43	R	78.1	Confident	68.7	Low	94 Å²	94	94.6 Å²	94.6	36%	0.355	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-90.9	138	175.6	-61.9	-177.3	-172.6	-125.9	-0.3	111.3	V38 N39 E41 F53	V38-R43 WeakPolarHBondContact CA-O 3.39Å; N39-R43 PolarHBondContact N-O 3.35Å; E41-R43 VanDerWaalsContact C-N 3.3Å; E41-R43 HydrophobicContact CB-CG 4.35Å; E41-R43 PolarHBondContact O-N 3.48Å; E41-R43 IonicContact OE2-CZ 2.66Å; E41-R43 IonicContact OE2-NE 2.81Å; E41-R43 PolarHBondContact OE2-NE 3.4Å; E41-R43 IonicContact OE2-NH2 3.9Å; R43-F53 CarbonylContact C-O 3.55Å; R43-F53 WeakPolarHBondContact CA-O 3.27Å
44	Y	80.3	Confident	70.4	Confident	70 Å²	70	92.8 Å²	92.8	28%	0.275	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.1	-179.5	-58.4	-88.9	0	0	0	111.2	V38 T52 F53 T56	V38-Y44 HydrophobicContact CG2-CD1 3.77Å; V38-Y44 HydrophobicContact CG2-CE1 3.86Å; Y44-T52 CarbonylContact O-C 3.55Å; Y44-T52 WeakPolarHBondContact O-CA 3.49Å; Y44-F53 PolarHBondContact N-O 3.38Å; Y44-F53 PolarHBondContact O-N 3.09Å; Y44-T56 HydrophobicContact CD1-CG2 3.56Å; Y44-T56 HydrophobicContact CD2-CG2 4.26Å; Y44-T56 HydrophobicContact CE1-CG2 3.19Å; Y44-T56 HydrophobicContact CE2-CG2 3.97Å; Y44-T56 HydrophobicContact CG-CG2 4.09Å; Y44-T56 VanDerWaalsContact CZ-CG2 3.42Å
45	I	76.3	Confident	71.7	Confident	27 Å²	27	90.7 Å²	90.7	14%	0.138	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.9	-174.5	-45.5	168.4	0	0	0	110.4	K37 N39 H47 K51 T52	K37-I45 HydrophobicContact CB-CB 4.4Å; K37-I45 HydrophobicContact CB-CD1 4.09Å; K37-I45 WeakPolarHBondContact O-CG1 3.47Å; K37-I45 PolarHBondContact O-N 3.02Å; N39-I45 HydrophobicContact CB-CD1 4.29Å; N39-I45 HydrophobicContact CB-CG1 4.49Å; N39-I45 WeakPolarHBondContact OD1-CD1 3.48Å; I45-H47 PolarHBondContact O-N 3.13Å; I45-K51 WeakPolarHBondContact CA-O 3.41Å; I45-T52 HydrophobicContact CG1-CG2 4.28Å
46	C	81.4	Confident	72.9	Confident	0 Å²	0	88 Å²	88	0%	0	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-71.5	116.7	165.6	174.9	0	0	0	0	111	L48 C49 E50 K51 F53 L59 M63 H66	C46-L48 PolarHBondContact O-N 3.07Å; C46-L48 PolarHBondContact SG-N 2.88Å; C46-C49 PolarHBondContact SG-N 3.31Å; C46-E50 WeakPolarHBondContact O-CA 3.46Å; C46-E50 PolarHBondContact O-N 3.33Å; C46-K51 PolarHBondContact N-O 3.28Å; C46-F53 HydrophobicContact CB-CE2 4.07Å; C46-L59 HydrophobicContact CB-CD1 3.84Å; C46-M63 HydrophobicContact CB-CE 3.56Å; C46-M63 WeakPolarHBondContact SG-CE 3.47Å; C46-H66 PolarHBondContact SG-NE2 3.39Å
47	H	72	Confident	73.6	Confident	110 Å²	110	90.1 Å²	90.1	51%	0.509	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.6	173.4	64.4	-59.7	0	0	0	115.3	I45 M63	I45-H47 PolarHBondContact O-N 3.13Å; H47-M63 VanDerWaalsContact CE1-SD 3.59Å
48	L	73.8	Confident	74.2	Confident	105 Å²	105	86.9 Å²	86.9	55%	0.55	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-22.2	-177.9	-61.2	174.4	0	0	0	114.2	C46 H66	C46-L48 PolarHBondContact O-N 3.07Å; C46-L48 PolarHBondContact SG-N 2.88Å; L48-H66 HydrophobicContact CD1-CB 3.56Å
49	C	75	Confident	74.5	Confident	45 Å²	45	83.3 Å²	83.3	30%	0.304	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	14.4	-179.4	78.1	0	0	0	0	114.3	C46 K51 H62 H66	C46-C49 PolarHBondContact SG-N 3.31Å; C49-K51 PolarHBondContact O-N 2.98Å; C49-H62 VanDerWaalsContact SG-CE1 3.54Å; C49-H62 PolarHBondContact SG-NE2 3.43Å; C49-H66 PolarHBondContact SG-NE2 2.85Å; C49-H66 VanDerWaalsContact SG-NE2 3.42Å
50	E	75.4	Confident	74.5	Confident	161 Å²	161	85.3 Å²	85.3	75%	0.752	42%	0.418	S	S	*	.			trans	57.8	10.7	172	-58.8	-177.6	167.1	0	0	116.2	C46	C46-E50 WeakPolarHBondContact O-CA 3.46Å; C46-E50 PolarHBondContact O-N 3.33Å
51	K	74.9	Confident	74.7	Confident	125 Å²	125	79.2 Å²	79.2	54%	0.543	40%	0.395	S	S	.	.			trans	-69.5	137	176.9	-70.7	179.2	-173	-178.9	0	110.8	I45 C46 C49 F53	I45-K51 WeakPolarHBondContact CA-O 3.41Å; C46-K51 PolarHBondContact N-O 3.28Å; C49-K51 PolarHBondContact O-N 2.98Å; K51-F53 HydrophobicContact CB-CE2 3.51Å; K51-F53 HydrophobicContact CB-CZ 3.62Å; K51-F53 HydrophobicContact CD-CZ 4.49Å; K51-F53 VanDerWaalsContact O-CD2 3.25Å; K51-F53 WeakPolarHBondContact O-CD2 3.19Å; K51-F53 WeakPolarHBondContact O-CE2 3.23Å
52	T	79.9	Confident	75	Confident	62 Å²	62	73.3 Å²	73.3	38%	0.38	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.5	-179.6	65.4	0	0	0	0	111.5	Y44 I45	Y44-T52 CarbonylContact O-C 3.55Å; Y44-T52 WeakPolarHBondContact O-CA 3.49Å; I45-T52 HydrophobicContact CG1-CG2 4.28Å
53	F	80.4	Confident	74.8	Confident	33 Å²	33	72.3 Å²	72.3	15%	0.145	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.6	-174.3	-62	-82	0	0	0	111.1	R43 Y44 C46 K51 T55 I58 L59 H62	R43-F53 CarbonylContact C-O 3.55Å; R43-F53 WeakPolarHBondContact CA-O 3.27Å; Y44-F53 PolarHBondContact N-O 3.38Å; Y44-F53 PolarHBondContact O-N 3.09Å; C46-F53 HydrophobicContact CB-CE2 4.07Å; K51-F53 HydrophobicContact CB-CE2 3.51Å; K51-F53 HydrophobicContact CB-CZ 3.62Å; K51-F53 HydrophobicContact CD-CZ 4.49Å; K51-F53 VanDerWaalsContact O-CD2 3.25Å; K51-F53 WeakPolarHBondContact O-CD2 3.19Å; K51-F53 WeakPolarHBondContact O-CE2 3.23Å; F53-T55 PolarHBondContact O-N 2.83Å; F53-I58 HydrophobicContact CB-CG2 4.38Å; F53-I58 HydrophobicContact CD1-CB 4.47Å; F53-I58 HydrophobicContact CD1-CG2 3.51Å; F53-I58 HydrophobicContact CE1-CG2 4.24Å; F53-I58 HydrophobicContact CG-CG2 4.28Å; F53-L59 HydrophobicContact CB-CB 4.14Å; F53-L59 HydrophobicContact CD2-CB 4.17Å; F53-L59 HydrophobicContact CD2-CD1 3.54Å; F53-L59 HydrophobicContact CD2-CG 4.44Å; F53-L59 HydrophobicContact CE2-CD1 3.87Å; F53-L59 HydrophobicContact CG-CB 4.3Å; F53-L59 HydrophobicContact CG-CD1 4.45Å; F53-H62 HydrophobicContact CE1-CB 3.9Å; F53-H62 AromaticContact CE1-CG 3.9Å; F53-H62 HydrophobicContact CE2-CB 4.14Å; F53-H62 AromaticContact CE2-CD2 3.1Å; F53-H62 WeakPolarHBondContact CE2-CD2 3.5Å; F53-H62 AromaticContact CE2-CG 3.66Å; F53-H62 AromaticContact CE2-NE2 3.71Å; F53-H62 HydrophobicContact CZ-CB 3.64Å; F53-H62 AromaticContact CZ-CD2 3.1Å; F53-H62 WeakPolarHBondContact CZ-CD2 3.37Å; F53-H62 AromaticContact CZ-CE1 3.94Å; F53-H62 AromaticContact CZ-CG 3.16Å; F53-H62 AromaticContact CZ-ND1 3.7Å; F53-H62 AromaticContact CZ-NE2 3.61Å
54	K	76.4	Confident	74.3	Confident	155 Å²	155	73 Å²	73	67%	0.674	36%	0.358	S	S	*	.	S	Bend	trans	-73	-25.9	-176.6	-62	-174.4	178.9	-174.1	0	113.5
55	T	76.9	Confident	73.5	Confident	61 Å²	61	72.2 Å²	72.2	37%	0.374	36%	0.36	S	S	.	.	S	Bend	trans	-142.1	152.9	-178.8	65.8	0	0	0	0	111.8	F53 N57 I58 L59	F53-T55 PolarHBondContact O-N 2.83Å; T55-N57 VanDerWaalsContact C-N 3.25Å; T55-N57 PolarHBondContact O-N 3.21Å; T55-I58 PolarHBondContact O-N 3.21Å; T55-I58 WeakPolarHBondContact OG1-CD1 3.41Å; T55-I58 VanDerWaalsContact OG1-CG1 3.24Å; T55-I58 WeakPolarHBondContact OG1-CG1 3.36Å; T55-I58 PolarHBondContact OG1-N 3.48Å; T55-L59 PolarHBondContact O-N 3.25Å
56	T	72.4	Confident	72.9	Confident	45 Å²	45	74.1 Å²	74.1	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-57.4	-36.1	174.7	51.1	0	0	0	0	112.6	Y44 L59 R60	Y44-T56 HydrophobicContact CD1-CG2 3.56Å; Y44-T56 HydrophobicContact CD2-CG2 4.26Å; Y44-T56 HydrophobicContact CE1-CG2 3.19Å; Y44-T56 HydrophobicContact CE2-CG2 3.97Å; Y44-T56 HydrophobicContact CG-CG2 4.09Å; Y44-T56 VanDerWaalsContact CZ-CG2 3.42Å; T56-L59 PolarHBondContact O-N 3.17Å; T56-R60 VanDerWaalsContact O-CB 3.32Å; T56-R60 WeakPolarHBondContact O-CB 3.42Å; T56-R60 PolarHBondContact O-N 3.15Å
57	N	72.1	Confident	72.1	Confident	98 Å²	98	76.3 Å²	76.3	52%	0.524	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-41.1	177.6	-75.5	-15.4	0	0	0	112	T55 R60 T61	T55-N57 VanDerWaalsContact C-N 3.25Å; T55-N57 PolarHBondContact O-N 3.21Å; N57-R60 PolarHBondContact O-N 2.97Å; N57-R60 PolarHBondContact OD1-NH1 3.21Å; N57-T61 WeakPolarHBondContact O-CG2 3.27Å; N57-T61 PolarHBondContact O-N 3.28Å; N57-T61 PolarHBondContact O-OG1 3.39Å
58	I	73.6	Confident	71.4	Confident	81 Å²	81	77.3 Å²	77.3	42%	0.415	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-43.6	176.9	-61.8	166.7	0	0	0	109.3	F53 T55 R60 T61 H62	F53-I58 HydrophobicContact CB-CG2 4.38Å; F53-I58 HydrophobicContact CD1-CB 4.47Å; F53-I58 HydrophobicContact CD1-CG2 3.51Å; F53-I58 HydrophobicContact CE1-CG2 4.24Å; F53-I58 HydrophobicContact CG-CG2 4.28Å; T55-I58 PolarHBondContact O-N 3.21Å; T55-I58 WeakPolarHBondContact OG1-CD1 3.41Å; T55-I58 VanDerWaalsContact OG1-CG1 3.24Å; T55-I58 WeakPolarHBondContact OG1-CG1 3.36Å; T55-I58 PolarHBondContact OG1-N 3.48Å; I58-R60 VanDerWaalsContact C-N 3.32Å; I58-R60 PolarHBondContact O-N 3.12Å; I58-T61 PolarHBondContact O-N 3.35Å; I58-T61 PolarHBondContact O-OG1 3.27Å; I58-H62 WeakPolarHBondContact O-CB 3.41Å; I58-H62 PolarHBondContact O-N 3.43Å
59	L	74.9	Confident	70.7	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-57.8	-43.4	173.9	176.9	60.7	0	0	0	111.7	F36 C46 F53 T55 T56 T61 H62 M63	F36-L59 HydrophobicContact CB-CD2 4.46Å; F36-L59 HydrophobicContact CD1-CD2 3.51Å; F36-L59 HydrophobicContact CD1-CG 4.43Å; F36-L59 HydrophobicContact CE1-CD2 4.08Å; F36-L59 HydrophobicContact CG-CD2 4.22Å; C46-L59 HydrophobicContact CB-CD1 3.84Å; F53-L59 HydrophobicContact CB-CB 4.14Å; F53-L59 HydrophobicContact CD2-CB 4.17Å; F53-L59 HydrophobicContact CD2-CD1 3.54Å; F53-L59 HydrophobicContact CD2-CG 4.44Å; F53-L59 HydrophobicContact CE2-CD1 3.87Å; F53-L59 HydrophobicContact CG-CB 4.3Å; F53-L59 HydrophobicContact CG-CD1 4.45Å; T55-L59 PolarHBondContact O-N 3.25Å; T56-L59 PolarHBondContact O-N 3.17Å; L59-T61 PolarHBondContact O-N 3.33Å; L59-H62 CarbonylContact O-C 3.56Å; L59-H62 WeakPolarHBondContact O-CA 3.48Å; L59-H62 WeakPolarHBondContact O-CB 3.32Å; L59-H62 PolarHBondContact O-N 3.28Å; L59-H62 VanDerWaalsContact O-N 3.14Å; L59-M63 HydrophobicContact CD1-CE 3.41Å; L59-M63 VanDerWaalsContact CD1-CE 3.41Å; L59-M63 HydrophobicContact CD1-SD 4.32Å; L59-M63 HydrophobicContact CG-CE 4.34Å; L59-M63 WeakPolarHBondContact O-CG 3.33Å; L59-M63 PolarHBondContact O-N 3.33Å
60	R	70.8	Confident	70	Confident	117 Å²	117	81.8 Å²	81.8	44%	0.442	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-40.1	178.4	-164.9	-173.2	-61.7	120	0.9	112.4	T56 N57 I58 H62 M63 K64	T56-R60 VanDerWaalsContact O-CB 3.32Å; T56-R60 WeakPolarHBondContact O-CB 3.42Å; T56-R60 PolarHBondContact O-N 3.15Å; N57-R60 PolarHBondContact O-N 2.97Å; N57-R60 PolarHBondContact OD1-NH1 3.21Å; I58-R60 VanDerWaalsContact C-N 3.32Å; I58-R60 PolarHBondContact O-N 3.12Å; R60-H62 VanDerWaalsContact C-N 3.29Å; R60-M63 PolarHBondContact O-N 3.27Å; R60-K64 PolarHBondContact O-N 3.49Å
61	T	66.8	Low	69.6	Low	84 Å²	84	79.2 Å²	79.2	52%	0.515	40%	0.396	S	S	.	.	H	α-helix	trans	-68.1	-31.6	173.1	60.3	0	0	0	0	112.3	N57 I58 L59 K64	N57-T61 WeakPolarHBondContact O-CG2 3.27Å; N57-T61 PolarHBondContact O-N 3.28Å; N57-T61 PolarHBondContact O-OG1 3.39Å; I58-T61 PolarHBondContact O-N 3.35Å; I58-T61 PolarHBondContact O-OG1 3.27Å; L59-T61 PolarHBondContact O-N 3.33Å; T61-K64 WeakPolarHBondContact O-CB 3.39Å; T61-K64 PolarHBondContact O-N 3.42Å
62	H	73.4	Confident	69.4	Low	22 Å²	22	76.9 Å²	76.9	10%	0.102	39%	0.386	C	S	.	.	H	α-helix	trans	-71.9	-32.9	170.8	172.2	62.5	0	0	0	112.5	C49 F53 I58 L59 R60 K64 T65 H66	C49-H62 VanDerWaalsContact SG-CE1 3.54Å; C49-H62 PolarHBondContact SG-NE2 3.43Å; F53-H62 HydrophobicContact CE1-CB 3.9Å; F53-H62 AromaticContact CE1-CG 3.9Å; F53-H62 HydrophobicContact CE2-CB 4.14Å; F53-H62 AromaticContact CE2-CD2 3.1Å; F53-H62 WeakPolarHBondContact CE2-CD2 3.5Å; F53-H62 AromaticContact CE2-CG 3.66Å; F53-H62 AromaticContact CE2-NE2 3.71Å; F53-H62 HydrophobicContact CZ-CB 3.64Å; F53-H62 AromaticContact CZ-CD2 3.1Å; F53-H62 WeakPolarHBondContact CZ-CD2 3.37Å; F53-H62 AromaticContact CZ-CE1 3.94Å; F53-H62 AromaticContact CZ-CG 3.16Å; F53-H62 AromaticContact CZ-ND1 3.7Å; F53-H62 AromaticContact CZ-NE2 3.61Å; I58-H62 WeakPolarHBondContact O-CB 3.41Å; I58-H62 PolarHBondContact O-N 3.43Å; L59-H62 CarbonylContact O-C 3.56Å; L59-H62 WeakPolarHBondContact O-CA 3.48Å; L59-H62 WeakPolarHBondContact O-CB 3.32Å; L59-H62 PolarHBondContact O-N 3.28Å; L59-H62 VanDerWaalsContact O-N 3.14Å; R60-H62 VanDerWaalsContact C-N 3.29Å; H62-K64 PolarHBondContact O-N 2.74Å; H62-T65 PolarHBondContact ND1-OG1 3.41Å; H62-T65 WeakPolarHBondContact O-CA 3.48Å; H62-T65 VanDerWaalsContact O-CB 3.25Å; H62-T65 WeakPolarHBondContact O-CB 3.47Å; H62-T65 PolarHBondContact O-N 3.37Å; H62-T65 PolarHBondContact O-OG1 3.45Å; H62-H66 AromaticContact CE1-NE2 3.62Å; H62-H66 AromaticContact NE2-NE2 3.36Å; H62-H66 PolarHBondContact NE2-NE2 3.45Å
63	M	66.5	Low	69	Low	23 Å²	23	77.5 Å²	77.5	11%	0.113	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-32.2	174	-68.8	-50.7	85.5	0	0	111.6	C46 H47 L59 R60 T65 H66 S67	C46-M63 HydrophobicContact CB-CE 3.56Å; C46-M63 WeakPolarHBondContact SG-CE 3.47Å; H47-M63 VanDerWaalsContact CE1-SD 3.59Å; L59-M63 HydrophobicContact CD1-CE 3.41Å; L59-M63 VanDerWaalsContact CD1-CE 3.41Å; L59-M63 HydrophobicContact CD1-SD 4.32Å; L59-M63 HydrophobicContact CG-CE 4.34Å; L59-M63 WeakPolarHBondContact O-CG 3.33Å; L59-M63 PolarHBondContact O-N 3.33Å; R60-M63 PolarHBondContact O-N 3.27Å; M63-T65 PolarHBondContact O-N 3.06Å; M63-T65 VanDerWaalsContact O-N 3.09Å; M63-H66 PolarHBondContact O-N 3Å; M63-S67 PolarHBondContact O-N 3.2Å
64	K	67.7	Low	69.1	Low	109 Å²	109	76 Å²	76	47%	0.474	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.1	170.2	-62.2	-180	-178.9	-174.8	0	114.2	R60 T61 H62 S67	R60-K64 PolarHBondContact O-N 3.49Å; T61-K64 WeakPolarHBondContact O-CB 3.39Å; T61-K64 PolarHBondContact O-N 3.42Å; H62-K64 PolarHBondContact O-N 2.74Å; K64-S67 WeakPolarHBondContact CA-OG 3.45Å
65	T	62.1	Low	68.9	Low	52 Å²	52	74.2 Å²	74.2	32%	0.319	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-20.3	171.3	70.5	0	0	0	0	113.2	H62 M63 R82	H62-T65 PolarHBondContact ND1-OG1 3.41Å; H62-T65 WeakPolarHBondContact O-CA 3.48Å; H62-T65 VanDerWaalsContact O-CB 3.25Å; H62-T65 WeakPolarHBondContact O-CB 3.47Å; H62-T65 PolarHBondContact O-N 3.37Å; H62-T65 PolarHBondContact O-OG1 3.45Å; M63-T65 PolarHBondContact O-N 3.06Å; M63-T65 VanDerWaalsContact O-N 3.09Å; T65-R82 VanDerWaalsContact CA-NH1 3.31Å; T65-R82 VanDerWaalsContact O-CZ 3.25Å; T65-R82 PolarHBondContact O-NH1 3.29Å; T65-R82 PolarHBondContact O-NH2 2.97Å; T65-R82 VanDerWaalsContact O-NH2 3.08Å
66	H	65.8	Low	68.7	Low	68 Å²	68	76.9 Å²	76.9	32%	0.315	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-24.7	172.1	-61.9	-59.7	0	0	0	112.2	C46 L48 C49 H62 M63	C46-H66 PolarHBondContact SG-NE2 3.39Å; L48-H66 HydrophobicContact CD1-CB 3.56Å; C49-H66 PolarHBondContact SG-NE2 2.85Å; C49-H66 VanDerWaalsContact SG-NE2 3.42Å; H62-H66 AromaticContact CE1-NE2 3.62Å; H62-H66 AromaticContact NE2-NE2 3.36Å; H62-H66 PolarHBondContact NE2-NE2 3.45Å; M63-H66 PolarHBondContact O-N 3Å
67	S	64.6	Low	68.9	Low	46 Å²	46	77.5 Å²	77.5	32%	0.322	41%	0.41	S	S	.	.	S	Bend	trans	-82.9	120.7	167.5	69.7	0	0	0	0	110.5	M63 K64 Q69	M63-S67 PolarHBondContact O-N 3.2Å; K64-S67 WeakPolarHBondContact CA-OG 3.45Å; S67-Q69 PolarHBondContact O-N 3.38Å
68	D	55.3	Low	68.8	Low	130 Å²	130	75.5 Å²	75.5	70%	0.695	41%	0.413	S	S	*	.			trans	-75.1	14.4	177.6	-74.2	-41.8	0	0	0	114.1	K70 R82	D68-K70 PolarHBondContact O-N 2.93Å; D68-R82 IonicContact OD1-NH2 3Å; D68-R82 PolarHBondContact OD1-NH2 3.26Å
69	Q	60.3	Low	68.7	Low	128 Å²	128	74.3 Å²	74.3	60%	0.598	41%	0.41	S	S	*	.			trans	-71.5	86.5	175.6	-76.8	-171.3	2	0	0	110.9	S67 N71	S67-Q69 PolarHBondContact O-N 3.38Å; Q69-N71 VanDerWaalsContact C-N 3.26Å; Q69-N71 WeakPolarHBondContact CB-OD1 3.48Å; Q69-N71 PolarHBondContact O-N 3.09Å
70	K	60.1	Low	68.7	Low	116 Å²	116	76.6 Å²	76.6	50%	0.504	43%	0.425	S	S	.	.			trans	-80.5	74	170.8	-63.1	172	176.9	175.9	0	109.7	D68 F72 S80 F81 R82	D68-K70 PolarHBondContact O-N 2.93Å; K70-F72 PolarHBondContact O-N 3.13Å; K70-F72 VanDerWaalsContact O-N 3.14Å; K70-S80 WeakPolarHBondContact CD-O 3.37Å; K70-F81 CarbonylContact C-O 3.57Å; K70-F81 WeakPolarHBondContact CA-O 3.37Å; K70-R82 HydrophobicContact CG-CG 4.36Å
71	N	66.9	Low	68.9	Low	108 Å²	108	73.1 Å²	73.1	58%	0.578	41%	0.414	S	S	*	.			trans	-71.8	-5.2	-170.7	-64.5	-11.3	0	0	0	115	Q69 F81	Q69-N71 VanDerWaalsContact C-N 3.26Å; Q69-N71 WeakPolarHBondContact CB-OD1 3.48Å; Q69-N71 PolarHBondContact O-N 3.09Å; N71-F81 PolarHBondContact N-O 2.98Å
72	F	70.1	Confident	69.1	Low	76 Å²	76	73.6 Å²	73.6	33%	0.333	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	94.3	-176.8	-59.5	-77.9	0	0	0	110.5	K70 S80 F81 K84 L87	K70-F72 PolarHBondContact O-N 3.13Å; K70-F72 VanDerWaalsContact O-N 3.14Å; F72-S80 CarbonylContact O-C 3.52Å; F72-F81 HydrophobicContact CB-CB 4.43Å; F72-F81 PolarHBondContact N-O 3.23Å; F72-F81 VanDerWaalsContact N-O 3.12Å; F72-F81 PolarHBondContact O-N 3.4Å; F72-K84 HydrophobicContact CD1-CB 4.04Å; F72-K84 HydrophobicContact CD1-CG 4.42Å; F72-K84 HydrophobicContact CE1-CB 3.85Å; F72-K84 HydrophobicContact CE1-CG 4.33Å; F72-K84 HydrophobicContact CE2-CB 4.48Å; F72-K84 HydrophobicContact CG-CB 4.43Å; F72-K84 HydrophobicContact CZ-CB 4.08Å; F72-L87 HydrophobicContact CB-CB 4.09Å; F72-L87 HydrophobicContact CB-CD2 3.89Å
73	S	73.1	Confident	68.9	Low	75 Å²	75	75.6 Å²	75.6	52%	0.524	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.6	177.3	54	0	0	0	0	112.5	T79 L87	S73-T79 WeakPolarHBondContact CA-O 3.48Å; S73-L87 WeakPolarHBondContact O-CD2 2.99Å
74	C	80.6	Confident	69.1	Low	2 Å²	2	81.1 Å²	81.1	1%	0.014	44%	0.443	C	S	.	.			trans	-79.7	120	168.7	-178.6	0	0	0	0	109.2	L76 G78 T79 F81 L87 H90 N91 H94	C74-L76 PolarHBondContact O-N 3.18Å; C74-L76 PolarHBondContact SG-N 3.44Å; C74-G78 VanDerWaalsContact O-CA 3.26Å; C74-G78 WeakPolarHBondContact O-CA 3.08Å; C74-G78 PolarHBondContact O-N 2.95Å; C74-T79 PolarHBondContact N-O 3.07Å; C74-F81 HydrophobicContact CB-CE2 4.35Å; C74-L87 HydrophobicContact CB-CD1 3.67Å; C74-H90 VanDerWaalsContact SG-CD2 3.6Å; C74-N91 PolarHBondContact SG-OD1 3.24Å; C74-H94 VanDerWaalsContact SG-CD2 3.6Å; C74-H94 PolarHBondContact SG-NE2 3.1Å; C74-H94 VanDerWaalsContact SG-NE2 3.43Å
75	S	73.4	Confident	69.3	Low	116 Å²	116	78.3 Å²	78.3	81%	0.811	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.6	176.9	49.1	0	0	0	0	113.6
76	L	71.9	Confident	69.9	Low	117 Å²	117	77.2 Å²	77.2	61%	0.613	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.4	-175.8	-61.4	175.7	0	0	0	113.9	C74 H94	C74-L76 PolarHBondContact O-N 3.18Å; C74-L76 PolarHBondContact SG-N 3.44Å; L76-H94 HydrophobicContact CD1-CB 3.46Å; L76-H94 VanDerWaalsContact CD1-CB 3.46Å
77	C	76.6	Confident	70.5	Confident	58 Å²	58	75.1 Å²	75.1	39%	0.392	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	8.9	-177.6	81	0	0	0	0	114.4	T79 H90	C77-T79 PolarHBondContact O-N 3.37Å; C77-T79 VanDerWaalsContact SG-CG2 3.59Å; C77-T79 PolarHBondContact SG-OG1 2.86Å; C77-H90 VanDerWaalsContact SG-CE1 3.51Å; C77-H90 PolarHBondContact SG-NE2 3.27Å
78	G	70.8	Confident	71	Confident	57 Å²	57	76.9 Å²	76.9	59%	0.588	44%	0.435	S	S	*	.			trans	66.6	5.4	175.9	0	0	0	0	0	115.5	C74 S80	C74-G78 VanDerWaalsContact O-CA 3.26Å; C74-G78 WeakPolarHBondContact O-CA 3.08Å; C74-G78 PolarHBondContact O-N 2.95Å; G78-S80 PolarHBondContact O-N 2.96Å
79	T	72.2	Confident	72	Confident	56 Å²	56	76.5 Å²	76.5	34%	0.344	42%	0.424	S	S	.	.			trans	-76.7	127.9	-178.9	59.1	0	0	0	0	110.6	S73 C74 C77 F81 H90	S73-T79 WeakPolarHBondContact CA-O 3.48Å; C74-T79 PolarHBondContact N-O 3.07Å; C77-T79 PolarHBondContact O-N 3.37Å; C77-T79 VanDerWaalsContact SG-CG2 3.59Å; C77-T79 PolarHBondContact SG-OG1 2.86Å; T79-F81 WeakPolarHBondContact O-CD2 3.48Å; T79-F81 WeakPolarHBondContact O-CE2 3.18Å; T79-F81 WeakPolarHBondContact OG1-CE2 3.09Å; T79-F81 VanDerWaalsContact OG1-CZ 3.23Å; T79-F81 WeakPolarHBondContact OG1-CZ 3.35Å; T79-H90 PolarHBondContact OG1-CE1 3.46Å; T79-H90 PolarHBondContact OG1-NE2 2.97Å; T79-H90 VanDerWaalsContact OG1-NE2 3.12Å
80	S	74.3	Confident	72.9	Confident	48 Å²	48	71 Å²	71	34%	0.336	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.7	-177.5	-48.4	0	0	0	0	111.9	K70 F72 G78	K70-S80 WeakPolarHBondContact CD-O 3.37Å; F72-S80 CarbonylContact O-C 3.52Å; G78-S80 PolarHBondContact O-N 2.96Å
81	F	73.9	Confident	73.6	Confident	45 Å²	45	67.8 Å²	67.8	20%	0.197	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.8	-175.5	-60.4	-82.8	0	0	0	110.9	K70 N71 F72 C74 T79 T83 L87 H90	K70-F81 CarbonylContact C-O 3.57Å; K70-F81 WeakPolarHBondContact CA-O 3.37Å; N71-F81 PolarHBondContact N-O 2.98Å; F72-F81 HydrophobicContact CB-CB 4.43Å; F72-F81 PolarHBondContact N-O 3.23Å; F72-F81 VanDerWaalsContact N-O 3.12Å; F72-F81 PolarHBondContact O-N 3.4Å; C74-F81 HydrophobicContact CB-CE2 4.35Å; T79-F81 WeakPolarHBondContact O-CD2 3.48Å; T79-F81 WeakPolarHBondContact O-CE2 3.18Å; T79-F81 WeakPolarHBondContact OG1-CE2 3.09Å; T79-F81 VanDerWaalsContact OG1-CZ 3.23Å; T79-F81 WeakPolarHBondContact OG1-CZ 3.35Å; F81-T83 VanDerWaalsContact C-N 3.35Å; F81-L87 HydrophobicContact CB-CB 4.36Å; F81-L87 HydrophobicContact CD2-CB 3.94Å; F81-L87 HydrophobicContact CD2-CD1 3.77Å; F81-L87 HydrophobicContact CD2-CG 4.47Å; F81-L87 HydrophobicContact CE2-CD1 4.01Å; F81-L87 HydrophobicContact CG-CB 4.37Å; F81-H90 HydrophobicContact CD2-CB 4.46Å; F81-H90 HydrophobicContact CE1-CB 3.96Å; F81-H90 HydrophobicContact CE2-CB 3.64Å; F81-H90 AromaticContact CE2-CD2 3.64Å; F81-H90 AromaticContact CE2-CG 3.44Å; F81-H90 VanDerWaalsContact CE2-CG 3.44Å; F81-H90 AromaticContact CE2-ND1 3.96Å; F81-H90 HydrophobicContact CZ-CB 3.38Å; F81-H90 AromaticContact CZ-CD2 3.79Å; F81-H90 AromaticContact CZ-CE1 3.92Å; F81-H90 AromaticContact CZ-CG 3.17Å; F81-H90 AromaticContact CZ-ND1 3.29Å; F81-H90 VanDerWaalsContact CZ-ND1 3.29Å; F81-H90 WeakPolarHBondContact CZ-ND1 3.35Å
82	R	70.8	Confident	74.2	Confident	94 Å²	94	65.3 Å²	65.3	36%	0.355	37%	0.369	S	S	.	.	S	Bend	trans	-77.6	-19.7	178.6	-64.6	176.5	174.3	-178.9	-11	112.9	T65 D68 K70	T65-R82 VanDerWaalsContact CA-NH1 3.31Å; T65-R82 VanDerWaalsContact O-CZ 3.25Å; T65-R82 PolarHBondContact O-NH1 3.29Å; T65-R82 PolarHBondContact O-NH2 2.97Å; T65-R82 VanDerWaalsContact O-NH2 3.08Å; D68-R82 IonicContact OD1-NH2 3Å; D68-R82 PolarHBondContact OD1-NH2 3.26Å; K70-R82 HydrophobicContact CG-CG 4.36Å
83	T	70	Confident	74.2	Confident	63 Å²	63	69.4 Å²	69.4	39%	0.387	38%	0.382	S	S	.	.	S	Bend	trans	-138.7	144.4	-178.6	62.4	0	0	0	0	112.6	F81 G85 S86 L87	F81-T83 VanDerWaalsContact C-N 3.35Å; T83-G85 VanDerWaalsContact C-N 3.28Å; T83-G85 PolarHBondContact O-N 3.41Å; T83-S86 WeakPolarHBondContact O-CB 3.37Å; T83-S86 PolarHBondContact O-N 3.45Å; T83-S86 WeakPolarHBondContact OG1-CB 3.42Å; T83-S86 PolarHBondContact OG1-N 3.5Å; T83-S86 PolarHBondContact OG1-OG 3.24Å; T83-L87 PolarHBondContact O-N 3.17Å
84	K	70.8	Confident	74.2	Confident	140 Å²	140	69.4 Å²	69.4	61%	0.609	37%	0.374	S	S	*	.	H	α-helix	trans	-55.4	-39.4	176.5	-170.7	175	-179.1	177.3	0	112.7	F72 S86 L87 I88	F72-K84 HydrophobicContact CD1-CB 4.04Å; F72-K84 HydrophobicContact CD1-CG 4.42Å; F72-K84 HydrophobicContact CE1-CB 3.85Å; F72-K84 HydrophobicContact CE1-CG 4.33Å; F72-K84 HydrophobicContact CE2-CB 4.48Å; F72-K84 HydrophobicContact CG-CB 4.43Å; F72-K84 HydrophobicContact CZ-CB 4.08Å; K84-S86 VanDerWaalsContact C-N 3.32Å; K84-S86 PolarHBondContact O-N 3.34Å; K84-L87 PolarHBondContact O-N 3.49Å; K84-I88 HydrophobicContact CG-CD1 4.19Å; K84-I88 WeakPolarHBondContact O-CG1 3.29Å; K84-I88 PolarHBondContact O-N 3.08Å
85	G	72.6	Confident	73.6	Confident	49 Å²	49	72.9 Å²	72.9	51%	0.505	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-32.6	176.5	0	0	0	0	0	114	T83 R89	T83-G85 VanDerWaalsContact C-N 3.28Å; T83-G85 PolarHBondContact O-N 3.41Å; G85-R89 PolarHBondContact O-N 3.41Å
86	S	74.7	Confident	73.1	Confident	30 Å²	30	72 Å²	72	21%	0.21	38%	0.381	C	S	.	.	H	α-helix	trans	-71.6	-37.9	174.9	-59.1	0	0	0	0	111.8	T83 K84 R89 H90	T83-S86 WeakPolarHBondContact O-CB 3.37Å; T83-S86 PolarHBondContact O-N 3.45Å; T83-S86 WeakPolarHBondContact OG1-CB 3.42Å; T83-S86 PolarHBondContact OG1-N 3.5Å; T83-S86 PolarHBondContact OG1-OG 3.24Å; K84-S86 VanDerWaalsContact C-N 3.32Å; K84-S86 PolarHBondContact O-N 3.34Å; S86-R89 PolarHBondContact O-N 2.93Å; S86-H90 VanDerWaalsContact O-CB 3.31Å; S86-H90 WeakPolarHBondContact O-CB 3.48Å; S86-H90 PolarHBondContact O-N 2.75Å
87	L	77.9	Confident	73.1	Confident	24 Å²	24	71.7 Å²	71.7	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-63.3	-43.6	172.5	174.6	61.9	0	0	0	111.4	F72 S73 C74 F81 T83 K84 R89 H90 N91	F72-L87 HydrophobicContact CB-CB 4.09Å; F72-L87 HydrophobicContact CB-CD2 3.89Å; S73-L87 WeakPolarHBondContact O-CD2 2.99Å; C74-L87 HydrophobicContact CB-CD1 3.67Å; F81-L87 HydrophobicContact CB-CB 4.36Å; F81-L87 HydrophobicContact CD2-CB 3.94Å; F81-L87 HydrophobicContact CD2-CD1 3.77Å; F81-L87 HydrophobicContact CD2-CG 4.47Å; F81-L87 HydrophobicContact CE2-CD1 4.01Å; F81-L87 HydrophobicContact CG-CB 4.37Å; T83-L87 PolarHBondContact O-N 3.17Å; K84-L87 PolarHBondContact O-N 3.49Å; L87-R89 PolarHBondContact O-N 2.96Å; L87-H90 CarbonylContact O-C 3.21Å; L87-H90 WeakPolarHBondContact O-CB 3.49Å; L87-H90 PolarHBondContact O-N 3.12Å; L87-N91 WeakPolarHBondContact O-CB 3.22Å; L87-N91 VanDerWaalsContact O-CG 3.29Å; L87-N91 PolarHBondContact O-N 3.33Å; L87-N91 PolarHBondContact O-OD1 3.25Å
88	I	74.8	Confident	73	Confident	82 Å²	82	75.1 Å²	75.1	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-46.1	177.2	-67.5	165	0	0	0	111	K84 H90 N91 R92	K84-I88 HydrophobicContact CG-CD1 4.19Å; K84-I88 WeakPolarHBondContact O-CG1 3.29Å; K84-I88 PolarHBondContact O-N 3.08Å; I88-H90 VanDerWaalsContact C-N 3.28Å; I88-H90 PolarHBondContact O-N 3.36Å; I88-N91 PolarHBondContact O-N 3.3Å; I88-R92 PolarHBondContact O-N 3.36Å
89	R	76.1	Confident	73.2	Confident	122 Å²	122	75.8 Å²	75.8	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-37.3	175.2	-176	174.2	62.5	-144.3	-6.2	112	G85 S86 L87 R92 E111	G85-R89 PolarHBondContact O-N 3.41Å; S86-R89 PolarHBondContact O-N 2.93Å; L87-R89 PolarHBondContact O-N 2.96Å; R89-R92 PolarHBondContact O-N 3.46Å; R89-E111 WeakPolarHBondContact CD-OE1 3.47Å; R89-E111 HydrophobicContact CG-CG 4.02Å; R89-E111 WeakPolarHBondContact CG-OE1 3.06Å; R89-E111 IonicContact NE-OE1 3.59Å
90	H	78.7	Confident	73.4	Confident	14 Å²	14	76.7 Å²	76.7	7%	0.065	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-42.3	174.5	174.3	84.1	0	0	0	112.1	C74 C77 T79 F81 S86 L87 I88 R92 R93 H94	C74-H90 VanDerWaalsContact SG-CD2 3.6Å; C77-H90 VanDerWaalsContact SG-CE1 3.51Å; C77-H90 PolarHBondContact SG-NE2 3.27Å; T79-H90 PolarHBondContact OG1-CE1 3.46Å; T79-H90 PolarHBondContact OG1-NE2 2.97Å; T79-H90 VanDerWaalsContact OG1-NE2 3.12Å; F81-H90 HydrophobicContact CD2-CB 4.46Å; F81-H90 HydrophobicContact CE1-CB 3.96Å; F81-H90 HydrophobicContact CE2-CB 3.64Å; F81-H90 AromaticContact CE2-CD2 3.64Å; F81-H90 AromaticContact CE2-CG 3.44Å; F81-H90 VanDerWaalsContact CE2-CG 3.44Å; F81-H90 AromaticContact CE2-ND1 3.96Å; F81-H90 HydrophobicContact CZ-CB 3.38Å; F81-H90 AromaticContact CZ-CD2 3.79Å; F81-H90 AromaticContact CZ-CE1 3.92Å; F81-H90 AromaticContact CZ-CG 3.17Å; F81-H90 AromaticContact CZ-ND1 3.29Å; F81-H90 VanDerWaalsContact CZ-ND1 3.29Å; F81-H90 WeakPolarHBondContact CZ-ND1 3.35Å; S86-H90 VanDerWaalsContact O-CB 3.31Å; S86-H90 WeakPolarHBondContact O-CB 3.48Å; S86-H90 PolarHBondContact O-N 2.75Å; L87-H90 CarbonylContact O-C 3.21Å; L87-H90 WeakPolarHBondContact O-CB 3.49Å; L87-H90 PolarHBondContact O-N 3.12Å; I88-H90 VanDerWaalsContact C-N 3.28Å; I88-H90 PolarHBondContact O-N 3.36Å; H90-R92 PolarHBondContact O-N 3.46Å; H90-R93 WeakPolarHBondContact O-CB 3.26Å; H90-R93 PolarHBondContact O-N 3.01Å; H90-H94 AromaticContact CD2-NE2 3.83Å; H90-H94 AromaticContact CE1-NE2 3.98Å; H90-H94 AromaticContact NE2-CD2 3.87Å; H90-H94 AromaticContact NE2-NE2 3.13Å; H90-H94 PolarHBondContact NE2-NE2 2.9Å; H90-H94 VanDerWaalsContact NE2-NE2 3.13Å
91	N	75	Confident	73.2	Confident	48 Å²	48	82.5 Å²	82.5	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-26.3	179.5	-73.9	-6.1	0	0	0	112.8	C74 L87 I88 R93 H94 T95	C74-N91 PolarHBondContact SG-OD1 3.24Å; L87-N91 WeakPolarHBondContact O-CB 3.22Å; L87-N91 VanDerWaalsContact O-CG 3.29Å; L87-N91 PolarHBondContact O-N 3.33Å; L87-N91 PolarHBondContact O-OD1 3.25Å; I88-N91 PolarHBondContact O-N 3.3Å; N91-R93 PolarHBondContact O-N 3.1Å; N91-R93 VanDerWaalsContact O-N 3.11Å; N91-H94 WeakPolarHBondContact O-CA 3.07Å; N91-H94 WeakPolarHBondContact O-CB 3.17Å; N91-H94 PolarHBondContact O-N 3.37Å; N91-T95 PolarHBondContact O-N 3.48Å; N91-T95 PolarHBondContact O-OG1 3.28Å
92	R	79.1	Confident	73	Confident	55 Å²	55	80.4 Å²	80.4	21%	0.208	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13	170.1	-64.4	174.7	-174.2	175.2	-1.3	114	I88 R89 H90 Y100	I88-R92 PolarHBondContact O-N 3.36Å; R89-R92 PolarHBondContact O-N 3.46Å; H90-R92 PolarHBondContact O-N 3.46Å; R92-Y100 PolarHBondContact NH1-OH 3.03Å
93	R	70	Confident	72.6	Confident	162 Å²	162	82.2 Å²	82.2	61%	0.611	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.1	169.5	-67	171.3	56.3	-175.6	-6.5	112.7	H90 N91	H90-R93 WeakPolarHBondContact O-CB 3.26Å; H90-R93 PolarHBondContact O-N 3.01Å; N91-R93 PolarHBondContact O-N 3.1Å; N91-R93 VanDerWaalsContact O-N 3.11Å
94	H	74.8	Confident	71.9	Confident	75 Å²	75	85.4 Å²	85.4	35%	0.347	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-34.6	179.4	-59.9	-57.4	0	0	0	111.9	C74 L76 H90 N91	C74-H94 VanDerWaalsContact SG-CD2 3.6Å; C74-H94 PolarHBondContact SG-NE2 3.1Å; C74-H94 VanDerWaalsContact SG-NE2 3.43Å; L76-H94 HydrophobicContact CD1-CB 3.46Å; L76-H94 VanDerWaalsContact CD1-CB 3.46Å; H90-H94 AromaticContact CD2-NE2 3.83Å; H90-H94 AromaticContact CE1-NE2 3.98Å; H90-H94 AromaticContact NE2-CD2 3.87Å; H90-H94 AromaticContact NE2-NE2 3.13Å; H90-H94 PolarHBondContact NE2-NE2 2.9Å; H90-H94 VanDerWaalsContact NE2-NE2 3.13Å; N91-H94 WeakPolarHBondContact O-CA 3.07Å; N91-H94 WeakPolarHBondContact O-CB 3.17Å; N91-H94 PolarHBondContact O-N 3.37Å
95	T	68.1	Low	71.8	Confident	75 Å²	75	81.5 Å²	81.5	46%	0.46	40%	0.404	S	S	.	.	S	Bend	trans	-89.3	-1.7	-178.2	58.9	0	0	0	0	114	N91 E97	N91-T95 PolarHBondContact O-N 3.48Å; N91-T95 PolarHBondContact O-OG1 3.28Å; T95-E97 PolarHBondContact O-N 3.42Å
96	D	62.9	Low	71.5	Confident	97 Å²	97	80.5 Å²	80.5	52%	0.519	39%	0.394	S	S	.	.			trans	49.6	12.7	-175.9	-98.4	-18.7	0	0	0	116.8	R98 R110	D96-R98 PolarHBondContact O-N 3.26Å; D96-R110 IonicContact OD1-CZ 3.37Å; D96-R110 IonicContact OD1-NE 2.9Å; D96-R110 PolarHBondContact OD1-NE 3.09Å; D96-R110 IonicContact OD1-NH2 3.61Å; D96-R110 PolarHBondContact OD1-NH2 3.3Å
97	E	71.4	Confident	71.3	Confident	112 Å²	112	84.2 Å²	84.2	52%	0.523	41%	0.408	S	S	.	.			trans	-60.5	127.1	173.8	-70.1	176.4	-174	0	0	109.8	T95 P99	T95-E97 PolarHBondContact O-N 3.42Å; E97-P99 VanDerWaalsContact C-CD 3.48Å; E97-P99 WeakPolarHBondContact O-CD 3.33Å
98	R	74.1	Confident	71.3	Confident	130 Å²	130	84.9 Å²	84.9	49%	0.491	41%	0.414	S	S	.	.			trans	-119.6	75.5	177.3	-71.8	166.2	172.8	-133.7	14.5	109.6	D96 Y100 S108 F109 R110	D96-R98 PolarHBondContact O-N 3.26Å; R98-Y100 PolarHBondContact O-N 3.1Å; R98-Y100 VanDerWaalsContact O-N 3.1Å; R98-S108 VanDerWaalsContact CB-CB 3.5Å; R98-S108 VanDerWaalsContact CD-O 3.3Å; R98-S108 WeakPolarHBondContact CD-O 3.39Å; R98-S108 PolarHBondContact NH1-O 2.86Å; R98-F109 CarbonylContact C-O 3.57Å; R98-F109 VanDerWaalsContact CA-O 3.28Å; R98-F109 WeakPolarHBondContact CA-O 3Å; R98-R110 HydrophobicContact CG-CG 3.72Å
99	P	75.4	Confident	71.5	Confident	70 Å²	70	82.5 Å²	82.5	46%	0.455	40%	0.401	S	S	.	.			trans	-67.8	-14.4	-170.5	-20.3	34.3	0	0	0	114.1	E97	E97-P99 VanDerWaalsContact C-CD 3.48Å; E97-P99 WeakPolarHBondContact O-CD 3.33Å
100	Y	76.9	Confident	71.6	Confident	75 Å²	75	81.1 Å²	81.1	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	94.1	-174.1	-55.4	-76.4	0	0	0	109.9	R92 R98 S108 F109 S112	R92-Y100 PolarHBondContact NH1-OH 3.03Å; R98-Y100 PolarHBondContact O-N 3.1Å; R98-Y100 VanDerWaalsContact O-N 3.1Å; Y100-S108 CarbonylContact O-C 3.59Å; Y100-F109 PolarHBondContact N-O 2.93Å; Y100-F109 VanDerWaalsContact N-O 3.11Å; Y100-F109 WeakPolarHBondContact O-CD2 3.48Å; Y100-F109 PolarHBondContact O-N 2.83Å; Y100-S112 VanDerWaalsContact CD2-N 3.33Å; Y100-S112 VanDerWaalsContact CE2-N 3.33Å
101	R	68.9	Low	71.5	Confident	171 Å²	171	84.4 Å²	84.4	65%	0.645	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.4	177.8	-170.1	175.5	-176.4	-154.6	0.1	111.2	G106 Q107	R101-G106 WeakPolarHBondContact CG-O 3.49Å; R101-G106 PolarHBondContact NE-O 3.45Å; R101-Q107 CarbonylContact C-O 3.37Å; R101-Q107 WeakPolarHBondContact CA-O 3.45Å
102	C	69.9	Low	71.3	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.007	42%	0.421	C	S	.	.			trans	-74.3	122.9	167.8	-178.1	0	0	0	0	108.6	L104 G106 Q107 F109 L115 H118	C102-L104 VanDerWaalsContact C-N 3.3Å; C102-L104 PolarHBondContact SG-N 3.46Å; C102-G106 CarbonylContact O-C 3.53Å; C102-G106 WeakPolarHBondContact O-CA 3.41Å; C102-G106 PolarHBondContact O-N 3.03Å; C102-Q107 WeakPolarHBondContact CB-O 3.32Å; C102-Q107 PolarHBondContact N-O 3.18Å; C102-F109 HydrophobicContact CB-CE2 4.07Å; C102-L115 HydrophobicContact CB-CD1 3.67Å; C102-H118 PolarHBondContact SG-NE2 3.37Å
103	T	61.5	Low	71	Confident	132 Å²	132	84.5 Å²	84.5	81%	0.81	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-21	177.9	49.6	0	0	0	0	112.6
104	L	57.1	Low	71.3	Confident	130 Å²	130	78 Å²	78	68%	0.681	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-34.9	-178.4	-60	175.7	0	0	0	113.4	C102 L119 L122	C102-L104 VanDerWaalsContact C-N 3.3Å; C102-L104 PolarHBondContact SG-N 3.46Å; L104-L119 HydrophobicContact CD1-CD2 4.15Å; L104-L122 HydrophobicContact CB-CD1 4.25Å; L104-L122 HydrophobicContact CD1-CD1 4.44Å
105	C	66.9	Low	71.3	Confident	57 Å²	57	75.7 Å²	75.7	39%	0.385	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	2.6	-177.6	74.9	0	0	0	0	113.5	Q107 H118 L122	C105-Q107 PolarHBondContact O-N 3.4Å; C105-Q107 VanDerWaalsContact O-N 3.09Å; C105-Q107 VanDerWaalsContact SG-CB 3.55Å; C105-Q107 VanDerWaalsContact SG-CG 3.52Å; C105-Q107 PolarHBondContact SG-N 3.46Å; C105-H118 PolarHBondContact SG-CE1 2.92Å; C105-H118 PolarHBondContact SG-NE2 3.28Å; C105-L122 HydrophobicContact CB-CD1 4.43Å
106	G	67.4	Low	71.4	Confident	29 Å²	29	75.4 Å²	75.4	30%	0.299	40%	0.399	S	S	.	.			trans	72.2	-5.3	-179.3	0	0	0	0	0	115.7	R101 C102	R101-G106 WeakPolarHBondContact CG-O 3.49Å; R101-G106 PolarHBondContact NE-O 3.45Å; C102-G106 CarbonylContact O-C 3.53Å; C102-G106 WeakPolarHBondContact O-CA 3.41Å; C102-G106 PolarHBondContact O-N 3.03Å
107	Q	71.3	Confident	71.8	Confident	107 Å²	107	79.1 Å²	79.1	50%	0.5	41%	0.406	S	S	.	.			trans	-67.8	133.2	-175.7	-71.5	-174	9.5	0	0	112.3	R101 C102 C105 F109 H118	R101-Q107 CarbonylContact C-O 3.37Å; R101-Q107 WeakPolarHBondContact CA-O 3.45Å; C102-Q107 WeakPolarHBondContact CB-O 3.32Å; C102-Q107 PolarHBondContact N-O 3.18Å; C105-Q107 PolarHBondContact O-N 3.4Å; C105-Q107 VanDerWaalsContact O-N 3.09Å; C105-Q107 VanDerWaalsContact SG-CB 3.55Å; C105-Q107 VanDerWaalsContact SG-CG 3.52Å; C105-Q107 PolarHBondContact SG-N 3.46Å; Q107-F109 HydrophobicContact CB-CE2 3.76Å; Q107-F109 HydrophobicContact CB-CZ 3.82Å; Q107-F109 WeakPolarHBondContact O-CD2 3.32Å; Q107-F109 VanDerWaalsContact O-CE2 3.24Å; Q107-F109 WeakPolarHBondContact O-CE2 3.3Å; Q107-H118 PolarHBondContact OE1-CE1 2.88Å
108	S	77.5	Confident	71.7	Confident	38 Å²	38	74.9 Å²	74.9	27%	0.266	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136	-179.5	-56.9	0	0	0	0	111.8	R98 Y100	R98-S108 VanDerWaalsContact CB-CB 3.5Å; R98-S108 VanDerWaalsContact CD-O 3.3Å; R98-S108 WeakPolarHBondContact CD-O 3.39Å; R98-S108 PolarHBondContact NH1-O 2.86Å; Y100-S108 CarbonylContact O-C 3.59Å
109	F	78.3	Confident	71	Confident	33 Å²	33	71.5 Å²	71.5	15%	0.145	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146	-175.4	-59.7	-87.3	0	0	0	111.1	R98 Y100 C102 Q107 E111 A114 L115 H118	R98-F109 CarbonylContact C-O 3.57Å; R98-F109 VanDerWaalsContact CA-O 3.28Å; R98-F109 WeakPolarHBondContact CA-O 3Å; Y100-F109 PolarHBondContact N-O 2.93Å; Y100-F109 VanDerWaalsContact N-O 3.11Å; Y100-F109 WeakPolarHBondContact O-CD2 3.48Å; Y100-F109 PolarHBondContact O-N 2.83Å; C102-F109 HydrophobicContact CB-CE2 4.07Å; Q107-F109 HydrophobicContact CB-CE2 3.76Å; Q107-F109 HydrophobicContact CB-CZ 3.82Å; Q107-F109 WeakPolarHBondContact O-CD2 3.32Å; Q107-F109 VanDerWaalsContact O-CE2 3.24Å; Q107-F109 WeakPolarHBondContact O-CE2 3.3Å; F109-E111 VanDerWaalsContact C-N 3.34Å; F109-A114 HydrophobicContact CB-CB 4.27Å; F109-A114 HydrophobicContact CD1-CB 4.08Å; F109-A114 HydrophobicContact CG-CB 4.48Å; F109-L115 HydrophobicContact CB-CB 4.24Å; F109-L115 HydrophobicContact CD2-CB 3.9Å; F109-L115 HydrophobicContact CD2-CD1 3.66Å; F109-L115 HydrophobicContact CD2-CG 4.38Å; F109-L115 HydrophobicContact CE2-CD1 3.85Å; F109-L115 HydrophobicContact CG-CB 4.19Å; F109-H118 HydrophobicContact CE1-CB 3.8Å; F109-H118 AromaticContact CE1-CG 3.94Å; F109-H118 HydrophobicContact CE2-CB 3.93Å; F109-H118 AromaticContact CE2-CD2 3.37Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.49Å; F109-H118 AromaticContact CE2-CG 3.56Å; F109-H118 AromaticContact CE2-NE2 3.84Å; F109-H118 HydrophobicContact CZ-CB 3.44Å; F109-H118 VanDerWaalsContact CZ-CB 3.44Å; F109-H118 AromaticContact CZ-CD2 3.43Å; F109-H118 VanDerWaalsContact CZ-CD2 3.43Å; F109-H118 WeakPolarHBondContact CZ-CD2 3.4Å; F109-H118 AromaticContact CZ-CE1 3.78Å; F109-H118 AromaticContact CZ-CG 3.12Å; F109-H118 AromaticContact CZ-ND1 3.4Å; F109-H118 WeakPolarHBondContact CZ-ND1 3.42Å; F109-H118 AromaticContact CZ-NE2 3.81Å
110	R	78.6	Confident	70.5	Confident	93 Å²	93	75.3 Å²	75.3	35%	0.351	39%	0.387	S	S	.	.	S	Bend	trans	-75.1	-23.5	178.8	-60.2	-175.3	-176	130.1	-3.4	113	D96 R98	D96-R110 IonicContact OD1-CZ 3.37Å; D96-R110 IonicContact OD1-NE 2.9Å; D96-R110 PolarHBondContact OD1-NE 3.09Å; D96-R110 IonicContact OD1-NH2 3.61Å; D96-R110 PolarHBondContact OD1-NH2 3.3Å; R98-R110 HydrophobicContact CG-CG 3.72Å
111	E	76.6	Confident	69.6	Low	83 Å²	83	75.7 Å²	75.7	39%	0.388	40%	0.401	S	S	.	.	S	Bend	trans	-134.1	144.3	-175.8	-61.5	-175.6	177.1	0	0	112	R89 F109 G113 A114 L115	R89-E111 WeakPolarHBondContact CD-OE1 3.47Å; R89-E111 HydrophobicContact CG-CG 4.02Å; R89-E111 WeakPolarHBondContact CG-OE1 3.06Å; R89-E111 IonicContact NE-OE1 3.59Å; F109-E111 VanDerWaalsContact C-N 3.34Å; E111-G113 PolarHBondContact O-N 3.09Å; E111-A114 HydrophobicContact CB-CB 4.33Å; E111-A114 WeakPolarHBondContact O-CB 3.45Å; E111-A114 PolarHBondContact O-N 3.33Å; E111-A114 VanDerWaalsContact O-N 3.15Å; E111-L115 PolarHBondContact O-N 2.9Å
112	S	71.7	Confident	69.2	Low	66 Å²	66	71.1 Å²	71.1	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-40.9	178.8	55.5	0	0	0	0	112.3	Y100 A114 L115 T116	Y100-S112 VanDerWaalsContact CD2-N 3.33Å; Y100-S112 VanDerWaalsContact CE2-N 3.33Å; S112-A114 PolarHBondContact O-N 2.98Å; S112-L115 WeakPolarHBondContact O-CB 3.45Å; S112-L115 PolarHBondContact O-N 2.9Å; S112-L115 VanDerWaalsContact O-N 3.15Å; S112-T116 PolarHBondContact O-N 3.41Å; S112-T116 PolarHBondContact O-OG1 2.96Å
113	G	72.8	Confident	68.3	Low	39 Å²	39	75.3 Å²	75.3	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-24.8	176.9	0	0	0	0	0	113.8	E111 R117	E111-G113 PolarHBondContact O-N 3.09Å; G113-R117 WeakPolarHBondContact O-CB 3.42Å; G113-R117 PolarHBondContact O-N 3.12Å; G113-R117 VanDerWaalsContact O-N 3.1Å
114	A	76.3	Confident	67.3	Low	25 Å²	25	74.1 Å²	74.1	21%	0.207	41%	0.409	C	S	.	.	H	α-helix	trans	-74.7	-42.3	172.6	0	0	0	0	0	111	F109 E111 S112 R117 H118	F109-A114 HydrophobicContact CB-CB 4.27Å; F109-A114 HydrophobicContact CD1-CB 4.08Å; F109-A114 HydrophobicContact CG-CB 4.48Å; E111-A114 HydrophobicContact CB-CB 4.33Å; E111-A114 WeakPolarHBondContact O-CB 3.45Å; E111-A114 PolarHBondContact O-N 3.33Å; E111-A114 VanDerWaalsContact O-N 3.15Å; S112-A114 PolarHBondContact O-N 2.98Å; A114-R117 PolarHBondContact O-N 3.43Å; A114-H118 VanDerWaalsContact O-CB 3.31Å; A114-H118 WeakPolarHBondContact O-CB 3.47Å; A114-H118 PolarHBondContact O-N 3.18Å
115	L	73	Confident	66.3	Low	27 Å²	27	74.3 Å²	74.3	14%	0.141	42%	0.42	C	S	.	.	H	α-helix	trans	-60.7	-44.3	170.6	174.9	63.1	0	0	0	111	C102 F109 E111 S112 R117 H118 L119	C102-L115 HydrophobicContact CB-CD1 3.67Å; F109-L115 HydrophobicContact CB-CB 4.24Å; F109-L115 HydrophobicContact CD2-CB 3.9Å; F109-L115 HydrophobicContact CD2-CD1 3.66Å; F109-L115 HydrophobicContact CD2-CG 4.38Å; F109-L115 HydrophobicContact CE2-CD1 3.85Å; F109-L115 HydrophobicContact CG-CB 4.19Å; E111-L115 PolarHBondContact O-N 2.9Å; S112-L115 WeakPolarHBondContact O-CB 3.45Å; S112-L115 PolarHBondContact O-N 2.9Å; S112-L115 VanDerWaalsContact O-N 3.15Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 2.82Å; L115-H118 CarbonylContact O-C 3.4Å; L115-H118 WeakPolarHBondContact O-CB 3.38Å; L115-H118 PolarHBondContact O-N 3.11Å; L115-H118 VanDerWaalsContact O-N 3.14Å; L115-L119 HydrophobicContact CD1-CD1 4.01Å; L115-L119 HydrophobicContact CD1-CD2 4.35Å; L115-L119 HydrophobicContact CD1-CG 3.88Å; L115-L119 HydrophobicContact CD2-CD1 4.44Å; L115-L119 HydrophobicContact CG-CD1 3.87Å; L115-L119 HydrophobicContact CG-CG 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.22Å; L115-L119 PolarHBondContact O-N 3.31Å
116	T	70.6	Confident	64.8	Low	68 Å²	68	77 Å²	77	42%	0.417	44%	0.435	S	S	.	.	H	α-helix	trans	-60.8	-40.7	177.7	-53.3	0	0	0	0	112	S112 H118 K120	S112-T116 PolarHBondContact O-N 3.41Å; S112-T116 PolarHBondContact O-OG1 2.96Å; T116-H118 VanDerWaalsContact C-N 3.34Å; T116-K120 HydrophobicContact CG2-CD 4.27Å; T116-K120 WeakPolarHBondContact O-CB 3.15Å; T116-K120 WeakPolarHBondContact O-CG 3.46Å; T116-K120 PolarHBondContact O-N 3.12Å
117	R	70.8	Confident	63.3	Low	176 Å²	176	83.9 Å²	83.9	66%	0.664	46%	0.459	S	S	*	.	H	α-helix	trans	-68.6	-36.5	176.1	-162.6	-171.8	-40	135	13.7	111.9	G113 A114 L115 K120 S121	G113-R117 WeakPolarHBondContact O-CB 3.42Å; G113-R117 PolarHBondContact O-N 3.12Å; G113-R117 VanDerWaalsContact O-N 3.1Å; A114-R117 PolarHBondContact O-N 3.43Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 2.82Å; R117-K120 PolarHBondContact O-N 3.42Å; R117-S121 PolarHBondContact O-N 3.04Å; R117-S121 PolarHBondContact O-OG 3.45Å
118	H	69.9	Low	62.1	Low	22 Å²	22	89 Å²	89	10%	0.102	48%	0.479	C	S	.	.	H	α-helix	trans	-66.3	-46	174.9	168.9	77.7	0	0	0	111.9	C102 C105 Q107 F109 A114 L115 T116 K120 S121 L122	C102-H118 PolarHBondContact SG-NE2 3.37Å; C105-H118 PolarHBondContact SG-CE1 2.92Å; C105-H118 PolarHBondContact SG-NE2 3.28Å; Q107-H118 PolarHBondContact OE1-CE1 2.88Å; F109-H118 HydrophobicContact CE1-CB 3.8Å; F109-H118 AromaticContact CE1-CG 3.94Å; F109-H118 HydrophobicContact CE2-CB 3.93Å; F109-H118 AromaticContact CE2-CD2 3.37Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.49Å; F109-H118 AromaticContact CE2-CG 3.56Å; F109-H118 AromaticContact CE2-NE2 3.84Å; F109-H118 HydrophobicContact CZ-CB 3.44Å; F109-H118 VanDerWaalsContact CZ-CB 3.44Å; F109-H118 AromaticContact CZ-CD2 3.43Å; F109-H118 VanDerWaalsContact CZ-CD2 3.43Å; F109-H118 WeakPolarHBondContact CZ-CD2 3.4Å; F109-H118 AromaticContact CZ-CE1 3.78Å; F109-H118 AromaticContact CZ-CG 3.12Å; F109-H118 AromaticContact CZ-ND1 3.4Å; F109-H118 WeakPolarHBondContact CZ-ND1 3.42Å; F109-H118 AromaticContact CZ-NE2 3.81Å; A114-H118 VanDerWaalsContact O-CB 3.31Å; A114-H118 WeakPolarHBondContact O-CB 3.47Å; A114-H118 PolarHBondContact O-N 3.18Å; L115-H118 CarbonylContact O-C 3.4Å; L115-H118 WeakPolarHBondContact O-CB 3.38Å; L115-H118 PolarHBondContact O-N 3.11Å; L115-H118 VanDerWaalsContact O-N 3.14Å; T116-H118 VanDerWaalsContact C-N 3.34Å; H118-K120 VanDerWaalsContact C-N 3.33Å; H118-K120 PolarHBondContact O-N 3.12Å; H118-S121 WeakPolarHBondContact CA-OG 3.22Å; H118-S121 CarbonylContact O-C 3.45Å; H118-S121 WeakPolarHBondContact O-CA 3.41Å; H118-S121 PolarHBondContact O-N 3.3Å; H118-S121 PolarHBondContact O-OG 2.8Å; H118-L122 WeakPolarHBondContact NE2-CD1 3.47Å; H118-L122 WeakPolarHBondContact O-CG 3.4Å; H118-L122 PolarHBondContact O-N 3.41Å
119	L	60.5	Low	60.2	Low	59 Å²	59	93.9 Å²	93.9	31%	0.309	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-43.3	174.2	-69.6	172.3	0	0	0	110.8	L104 L115 S121 L122 T123	L104-L119 HydrophobicContact CD1-CD2 4.15Å; L115-L119 HydrophobicContact CD1-CD1 4.01Å; L115-L119 HydrophobicContact CD1-CD2 4.35Å; L115-L119 HydrophobicContact CD1-CG 3.88Å; L115-L119 HydrophobicContact CD2-CD1 4.44Å; L115-L119 HydrophobicContact CG-CD1 3.87Å; L115-L119 HydrophobicContact CG-CG 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.32Å; L115-L119 WeakPolarHBondContact O-CG 3.22Å; L115-L119 PolarHBondContact O-N 3.31Å; L119-S121 PolarHBondContact O-N 3.26Å; L119-L122 PolarHBondContact O-N 3.3Å; L119-T123 PolarHBondContact O-N 3.12Å; L119-T123 PolarHBondContact O-OG1 3.14Å
120	K	64.4	Low	58.1	Low	150 Å²	150	102.8 Å²	102.8	65%	0.652	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-21.3	173	-74.2	177	179	-170.4	0	114.4	T116 R117 H118 T123	T116-K120 HydrophobicContact CG2-CD 4.27Å; T116-K120 WeakPolarHBondContact O-CB 3.15Å; T116-K120 WeakPolarHBondContact O-CG 3.46Å; T116-K120 PolarHBondContact O-N 3.12Å; R117-K120 PolarHBondContact O-N 3.42Å; H118-K120 VanDerWaalsContact C-N 3.33Å; H118-K120 PolarHBondContact O-N 3.12Å; K120-T123 VanDerWaalsContact O-O 3.13Å
121	S	58	Low	56	Low	84 Å²	84	108.2 Å²	108.2	59%	0.587	56%	0.561	S	S	*	*	H	α-helix	trans	-87.7	-20.6	172.5	64.5	0	0	0	0	113	R117 H118 L119	R117-S121 PolarHBondContact O-N 3.04Å; R117-S121 PolarHBondContact O-OG 3.45Å; H118-S121 WeakPolarHBondContact CA-OG 3.22Å; H118-S121 CarbonylContact O-C 3.45Å; H118-S121 WeakPolarHBondContact O-CA 3.41Å; H118-S121 PolarHBondContact O-N 3.3Å; H118-S121 PolarHBondContact O-OG 2.8Å; L119-S121 PolarHBondContact O-N 3.26Å
122	L	59.2	Low	53.9	Low	74 Å²	74	110.4 Å²	110.4	39%	0.387	58%	0.579	S	S	.	*	H	α-helix	trans	-84.6	-18.1	173.2	-70.9	177.1	0	0	0	112.6	L104 C105 H118 L119 P124	L104-L122 HydrophobicContact CB-CD1 4.25Å; L104-L122 HydrophobicContact CD1-CD1 4.44Å; C105-L122 HydrophobicContact CB-CD1 4.43Å; H118-L122 WeakPolarHBondContact NE2-CD1 3.47Å; H118-L122 WeakPolarHBondContact O-CG 3.4Å; H118-L122 PolarHBondContact O-N 3.41Å; L119-L122 PolarHBondContact O-N 3.3Å; L122-P124 WeakPolarHBondContact O-CD 3.31Å
123	T	53	Low	52	Low	90 Å²	90	115.5 Å²	115.5	55%	0.552	60%	0.596	S	S	*	*	S	Bend	trans	-102.8	91.3	166.5	33.9	0	0	0	0	109.9	L119 K120 C125	L119-T123 PolarHBondContact O-N 3.12Å; L119-T123 PolarHBondContact O-OG1 3.14Å; K120-T123 VanDerWaalsContact O-O 3.13Å; T123-C125 PolarHBondContact O-N 3.44Å
124	P	40.3	Very low	50	Low	106 Å²	106	124.6 Å²	124.6	69%	0.688	62%	0.62	S	S	*	*			trans	-56.3	134.3	161.5	-15.3	28.3	0	0	0	108.3	L122 T126	L122-P124 WeakPolarHBondContact O-CD 3.31Å; P124-T126 VanDerWaalsContact C-N 3.33Å; P124-T126 PolarHBondContact O-N 2.66Å
125	C	35.8	Very low	47.9	Very low	134 Å²	134	132.9 Å²	132.9	91%	0.905	65%	0.651	S	S	*	*	S	Bend	trans	-63.2	90.4	177.8	-67.2	0	0	0	0	111.2	T123	T123-C125 PolarHBondContact O-N 3.44Å
126	T	35.1	Very low	45.8	Very low	115 Å²	115	140.3 Å²	140.3	71%	0.706	69%	0.685	S	S	*	*			trans	-144.3	125.2	144.7	46.9	0	0	0	0	108.1	P124	P124-T126 VanDerWaalsContact C-N 3.33Å; P124-T126 PolarHBondContact O-N 2.66Å
127	E	36.4	Very low	43.9	Very low	173 Å²	173	145 Å²	145	81%	0.808	71%	0.705	S	S	*	*			trans	88	124.1	154.9	-64.5	170.3	-168.9	0	0	120.3	I129	E127-I129 VanDerWaalsContact C-N 3.3Å; E127-I129 PolarHBondContact O-N 2.72Å
128	K	44.3	Very low	42	Very low	213 Å²	213	144.6 Å²	144.6	93%	0.926	72%	0.716	S	S	*	*			trans	-68.1	71.4	177.1	-63.8	168.1	176.4	171.8	0	110.3
129	I	39.5	Very low	40	Very low	142 Å²	142	150.1 Å²	150.1	73%	0.728	75%	0.751	S	S	*	*			trans	-139	137	164.8	-52.1	179.5	0	0	0	109.3	E127	E127-I129 VanDerWaalsContact C-N 3.3Å; E127-I129 PolarHBondContact O-N 2.72Å
130	R	33.3	Very low	38.4	Very low	219 Å²	219	153.1 Å²	153.1	83%	0.826	78%	0.776	S	S	*	*			trans	93.8	48.7	177.1	-50.5	-168.8	-177.7	163.7	1.4	117
131	F	34.3	Very low	36.8	Very low	208 Å²	208	154.9 Å²	154.9	91%	0.912	78%	0.784	S	S	*	*			trans	-103.4	65.5	146	-100.3	-84.5	0	0	0	109.6
132	V	31.6	Very low	35.4	Very low	129 Å²	129	158.7 Å²	158.7	78%	0.782	80%	0.798	S	S	*	*	S	Bend	trans	-137	-29.1	170.5	-171.4	0	0	0	0	113	Y134	V132-Y134 PolarHBondContact O-N 2.81Å
133	Q	32.6	Very low	34	Very low	172 Å²	172	158.7 Å²	158.7	80%	0.804	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-83.2	-1.9	-176	-76.5	179.7	-21.7	0	0	116	K135	Q133-K135 PolarHBondContact O-N 3.41Å
134	Y	30.5	Very low	32.9	Very low	231 Å²	231	161.6 Å²	161.6	91%	0.906	83%	0.833	S	S	*	*	G	3₁₀ helix	trans	-94.6	17.9	-174.2	-127.1	-90.4	0	0	0	115.2	V132	V132-Y134 PolarHBondContact O-N 2.81Å
135	K	31.8	Very low	32.4	Very low	198 Å²	198	165.2 Å²	165.2	86%	0.861	84%	0.841	S	S	*	*	G	3₁₀ helix	trans	-111.8	-4.2	-179.6	-132.3	-179.1	-179.1	-175.6	0	115.9	Q133	Q133-K135 PolarHBondContact O-N 3.41Å
136	E	29.9	Very low	32.1	Very low	184 Å²	184	168.7 Å²	168.7	86%	0.86	84%	0.841	S	S	*	*	S	Bend	trans	-111.4	-2.8	-175.7	-75.7	-172.5	160.8	0	0	116.6
137	I	31.6	Very low	31.7	Very low	165 Å²	165	166.8 Å²	166.8	85%	0.846	84%	0.844	S	S	*	*	S	Bend	trans	-121.7	65.4	178.2	-45.1	179.5	0	0	0	110.7
138	L	28.9	Very low	31.2	Very low	169 Å²	169	165.1 Å²	165.1	89%	0.885	85%	0.845	S	S	*	*			trans	-145.7	49.3	159.3	-100.4	-179.5	0	0	0	110.9
139	V	29	Very low	30.5	Very low	137 Å²	137	163.9 Å²	163.9	83%	0.83	84%	0.843	S	S	*	*			trans	-146.7	98.6	151.4	-168.5	0	0	0	0	109.8
140	S	26.4	Very low	29.9	Very low	122 Å²	122	163.8 Å²	163.8	85%	0.853	85%	0.849	S	S	*	*			trans	-160.2	104.3	133.3	-82.5	0	0	0	0	107.5
141	K	30.5	Very low	29.6	Very low	188 Å²	188	160.8 Å²	160.8	82%	0.817	85%	0.849	S	S	*	*			trans	-73.8	161.6	155.1	-80.5	-179.2	173.2	177.7	0	107.6
142	D	29.6	Very low	29.4	Very low	164 Å²	164	159.6 Å²	159.6	88%	0.877	85%	0.847	S	S	*	*			trans	91.2	104.3	174.9	-43.9	-27	0	0	0	111.1
143	G	29.9	Very low	29.2	Very low	74 Å²	74	156.9 Å²	156.9	76%	0.763	85%	0.845	S	S	*	*			cis	116.2	84.1	22.2	0	0	0	0	0	108.1
144	V	28.7	Very low	28.9	Very low	150 Å²	150	157.8 Å²	157.8	91%	0.909	85%	0.849	S	S	*	*			trans	-141.7	124.7	165.2	-175.9	0	0	0	0	110.1
145	Q	31.2	Very low	28.6	Very low	183 Å²	183	152.5 Å²	152.5	86%	0.855	84%	0.84	S	S	*	*			trans	-73.9	162.1	176.1	-73.2	174.9	-30.1	0	0	111.8
146	K	29	Very low	28.2	Very low	206 Å²	206	149 Å²	149	90%	0.896	84%	0.835	S	S	*	*			trans	-33.2	143.8	165.6	-71.4	177.3	169.8	-176.3	0	114.5
147	G	26.2	Very low	28.1	Very low	75 Å²	75	144.2 Å²	144.2	77%	0.773	83%	0.827	S	S	*	*			trans	-72.9	176.3	178.7	0	0	0	0	0	116
148	V	25.8	Very low	27.8	Very low	139 Å²	139	145.6 Å²	145.6	84%	0.842	83%	0.83	S	S	*	*			trans	-144.1	128.3	157.4	174.4	0	0	0	0	105.8
149	E	30.4	Very low	27.8	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	83%	0.826	S	S	*	*			trans	-65.6	135.7	170.5	-64.1	170.2	153.1	0	0	110.2
150	T	26.2	Very low	27.4	Very low	141 Å²	141	148.6 Å²	148.6	87%	0.865	83%	0.831	S	S	*	*			trans	-150.4	134.2	142.9	43	0	0	0	0	109.8
151	D	28	Very low	27.4	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	82%	0.821	S	S	*	*			trans	-63.6	170.8	179.9	-161.5	8.1	0	0	0	114.2
152	Q	29.4	Very low	27	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	82%	0.824	S	S	*	*			trans	106	115.5	164.5	-56.7	-176.7	11.5	0	0	119
153	G	27	Very low	26.7	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	82%	0.816	S	S	*	*				104.9	88.5	119	0	0	0	0	0	119
154	Q	25.9	Very low	26.3	Very low	191 Å²	191	145.3 Å²	145.3	89%	0.893	81%	0.811	S	S	*	*				41.6	132.1	121.6	-122.9	176.8	11.5	0	0	120.7
155	V	25	Very low	26.1	Very low	120 Å²	120	146.8 Å²	146.8	73%	0.727	81%	0.808	S	S	*	*				139.3	105.8	129	176.6	0	0	0	0	114.3
156	V	24.6	Very low	25.9	Very low	125 Å²	125	147 Å²	147	76%	0.758	81%	0.809	S	S	*	*				63.4	116.6	130	-172.9	0	0	0	0	121.3
157	A	26.4	Very low	25.7	Very low	83 Å²	83	147 Å²	147	69%	0.686	81%	0.812	S	S	*	*			trans	9.4	139.8	137.6	0	0	0	0	0	120.2
158	Q	26.3	Very low	25.7	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	81%	0.808	S	S	*	*				-166.2	147.6	107.2	-101.4	165.8	18.1	0	0	112.5
159	Q	27.8	Very low	25.8	Very low	170 Å²	170	149 Å²	149	79%	0.794	81%	0.806	S	S	*	*			trans	-97.5	136.9	-175.1	178.1	178.9	27.6	0	0	107.8	V161	Q159-V161 HydrophobicContact CG-CG2 4.45Å
160	E	22	Very low	25.6	Very low	199 Å²	199	149.7 Å²	149.7	93%	0.93	81%	0.81	S	S	*	*			trans	-137.7	125.6	158.6	-104.2	-176.9	174.7	0	0	110.2
161	V	25.8	Very low	25.8	Very low	106 Å²	106	151.9 Å²	151.9	64%	0.642	81%	0.81	S	S	*	*			trans	-112	125	177.3	169.1	0	0	0	0	105.8	Q159	Q159-V161 HydrophobicContact CG-CG2 4.45Å
162	V	22.4	Very low	25.8	Very low	146 Å²	146	153.7 Å²	153.7	89%	0.885	81%	0.814	S	S	*	*			trans	-147.2	137.6	151.4	-176.4	0	0	0	0	110.2
163	V	22.6	Very low	25.6	Very low	116 Å²	116	153.1 Å²	153.1	70%	0.703	81%	0.813	S	S	*	*			trans	-86.1	159.5	-169.6	-178.4	0	0	0	0	111.1
164	V	22.8	Very low	25.7	Very low	110 Å²	110	156.1 Å²	156.1	67%	0.667	82%	0.817	S	S	*	*				149.4	120.2	127	170.7	0	0	0	0	113.8
165	E	23.4	Very low	26.1	Very low	182 Å²	182	155.4 Å²	155.4	85%	0.85	81%	0.813	S	S	*	*			trans	84.4	138.9	144.8	-78.1	162.5	-167.1	0	0	124.7
166	Q	27	Very low	26.6	Very low	187 Å²	187	153.7 Å²	153.7	87%	0.874	81%	0.812	S	S	*	*			trans	-82.3	151.2	-169.5	-62.2	161.5	-42	0	0	111.5
167	Q	24.8	Very low	27.5	Very low	205 Å²	205	152.9 Å²	152.9	96%	0.958	80%	0.799	S	S	*	*			trans	-153.6	156.6	139.7	-108.4	170.8	15.1	0	0	110.2
168	A	25.9	Very low	28.2	Very low	82 Å²	82	153.1 Å²	153.1	68%	0.678	79%	0.793	S	S	*	*			trans	-85.9	154.9	-143.1	0	0	0	0	0	116.8
169	E	27.6	Very low	28.9	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	77%	0.766	S	S	*	*			trans	39.7	113.4	139.4	-64.4	173.7	169.6	0	0	120.2
170	E	26.5	Very low	29.5	Very low	202 Å²	202	142.3 Å²	142.3	94%	0.944	76%	0.756	S	S	*	*				-136.9	111.4	124.5	-95.4	176.3	-179.5	0	0	107.4
171	Q	30.3	Very low	30.4	Very low	187 Å²	187	135.5 Å²	135.5	87%	0.874	73%	0.728	S	S	*	*			trans	-73.8	123.8	170.5	-87.7	170.6	-39.8	0	0	108.9
172	E	28.3	Very low	31	Very low	193 Å²	193	132.9 Å²	132.9	90%	0.902	71%	0.714	S	S	*	*			trans	-105.8	127.8	162.9	-149.1	173.7	-166.2	0	0	108.8
173	M	25.6	Very low	31.8	Very low	170 Å²	170	129.3 Å²	129.3	84%	0.837	69%	0.692	S	S	*	*			trans	-63.2	130.8	-166	-74	161.9	49.7	0	0	113	E175	M173-E175 PolarHBondContact O-N 3.49Å
174	V	29.4	Very low	32.7	Very low	136 Å²	136	128.1 Å²	128.1	82%	0.824	69%	0.685	S	S	*	*			trans	-75.8	116.4	160	176.9	0	0	0	0	107.2	A176	V174-A176 PolarHBondContact O-N 2.97Å
175	E	33.9	Very low	33.3	Very low	175 Å²	175	131 Å²	131	82%	0.818	69%	0.692	S	S	*	*			trans	-63.1	100.1	170.9	-71	178	169.5	0	0	109.4	M173	M173-E175 PolarHBondContact O-N 3.49Å
176	A	35	Very low	33.8	Very low	84 Å²	84	126 Å²	126	69%	0.694	68%	0.682	S	S	*	*			trans	-87.9	107.5	174.3	0	0	0	0	0	109.4	V174	V174-A176 PolarHBondContact O-N 2.97Å
177	Q	43.6	Very low	34.5	Very low	108 Å²	108	120.6 Å²	120.6	51%	0.505	68%	0.676	S	S	.	*			trans	-85	116.1	165.9	-68.7	-178.4	-15	0	0	108.6
178	T	41.2	Very low	35.4	Very low	88 Å²	88	116.6 Å²	116.6	54%	0.54	67%	0.671	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	120.2	175.3	44.1	0	0	0	0	109.7	T198	T178-T198 PolarHBondContact O-OG1 3.13Å
179	A	40.6	Very low	36.6	Very low	44 Å²	44	122.2 Å²	122.2	36%	0.364	68%	0.683	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	124.6	170.3	0	0	0	0	0	108.4	F197 A224	A179-F197 HydrophobicContact CB-CD1 4.34Å; A179-F197 HydrophobicContact CB-CE1 4.34Å; A179-A224 HydrophobicContact CB-CB 4.26Å
180	V	41.3	Very low	37.2	Very low	94 Å²	94	121 Å²	121	57%	0.57	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112	118.6	177.4	-176.6	0	0	0	0	108.4	H196	V180-H196 PolarHBondContact N-O 3.12Å; V180-H196 PolarHBondContact O-N 3.4Å
181	V	41.4	Very low	38	Very low	57 Å²	57	115.4 Å²	115.4	35%	0.345	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.2	117	176.5	-177.3	0	0	0	0	108.2	V195	V181-V195 HydrophobicContact CG1-CG2 4.33Å; V181-V195 HydrophobicContact CG2-CG1 4.13Å; V181-V195 HydrophobicContact CG2-CG2 4.27Å
182	S	38.1	Very low	38.8	Very low	51 Å²	51	111.1 Å²	111.1	36%	0.357	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	144.9	172.1	53.1	0	0	0	0	110.5
183	V	38.2	Very low	39.8	Very low	70 Å²	70	105.4 Å²	105.4	42%	0.424	61%	0.609	S	S	.	*			trans	-103.3	124	-178.5	-173.7	0	0	0	0	108.1
184	V	41.9	Very low	40.9	Very low	92 Å²	92	100 Å²	100	56%	0.558	58%	0.582	S	S	*	*			trans	-121	115.9	170.2	-175.3	0	0	0	0	107.5	A186	V184-A186 PolarHBondContact O-N 3.4Å
185	E	35.4	Very low	42	Very low	170 Å²	170	93.7 Å²	93.7	79%	0.794	54%	0.544	S	S	*	.			trans	-78.6	112.2	175.8	-72.8	-178.9	162	0	0	109.5
186	A	33.3	Very low	42.8	Very low	78 Å²	78	88.2 Å²	88.2	65%	0.645	52%	0.518	S	S	*	.			trans	-95.3	133.3	164.9	0	0	0	0	0	109.1	V184	V184-A186 PolarHBondContact O-N 3.4Å
187	G	41.3	Very low	43.4	Very low	73 Å²	73	86.7 Å²	86.7	75%	0.753	50%	0.496	S	S	*	.	S	Bend	trans	-60.1	148.2	-172.4	0	0	0	0	0	114.6
188	S	45	Very low	43.4	Very low	121 Å²	121	84.3 Å²	84.3	85%	0.846	49%	0.489	S	S	*	.	S	Bend	trans	68.4	84.7	179.6	47.9	0	0	0	0	117.3	E190	S188-E190 PolarHBondContact O-N 3.44Å
189	Q	50.3	Low	43.7	Very low	200 Å²	200	82.9 Å²	82.9	94%	0.935	48%	0.477	S	S	*	.	S	Bend	trans	62.9	24	145.3	-137.4	174.5	-0.2	0	0	120.2
190	E	41.4	Very low	43.7	Very low	147 Å²	147	87.9 Å²	87.9	69%	0.687	49%	0.493	S	S	*	.			trans	-137.6	119.1	152.4	-70.7	-171.6	165.7	0	0	109.8	S188 L192	S188-E190 PolarHBondContact O-N 3.44Å; E190-L192 PolarHBondContact O-N 3.31Å
191	V	42.1	Very low	43.8	Very low	85 Å²	85	86.8 Å²	86.8	52%	0.515	49%	0.486	S	S	.	.			trans	-84.4	92.6	176.5	-176.5	0	0	0	0	108.2
192	L	46.9	Very low	43.6	Very low	98 Å²	98	91.9 Å²	91.9	51%	0.513	51%	0.511	S	S	.	.			trans	-85.6	126.8	172.1	-64.9	173.3	0	0	0	109.4	E190 V211	E190-L192 PolarHBondContact O-N 3.31Å; L192-V211 HydrophobicContact CB-CG1 3.96Å; L192-V211 HydrophobicContact CD1-CG1 4.48Å; L192-V211 HydrophobicContact CD2-CG1 4.36Å
193	R	50.6	Low	44.1	Very low	72 Å²	72	93.1 Å²	93.1	27%	0.272	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.6	176.3	-67.3	-164.7	-175.1	-137	-3.7	110.8	V212	R193-V212 PolarHBondContact O-N 3.1Å
194	Q	47.8	Very low	44.2	Very low	57 Å²	57	94.6 Å²	94.6	27%	0.266	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.9	-179	-164.4	161.3	41	0	0	109.3	Q209 V211	Q194-Q209 HydrophobicContact CG-CG 3.47Å; Q194-Q209 VanDerWaalsContact CG-CG 3.47Å; Q194-Q209 VanDerWaalsContact OE1-NE2 3.09Å; Q194-V211 HydrophobicContact CG-CG2 4.48Å
195	V	52.8	Low	44.3	Very low	3 Å²	3	94.3 Å²	94.3	2%	0.018	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.8	-179	-175.1	0	0	0	0	108.8	V181 F197 V210 V212	V181-V195 HydrophobicContact CG1-CG2 4.33Å; V181-V195 HydrophobicContact CG2-CG1 4.13Å; V181-V195 HydrophobicContact CG2-CG2 4.27Å; V195-F197 HydrophobicContact CB-CE2 3.93Å; V195-F197 HydrophobicContact CB-CZ 4.26Å; V195-F197 HydrophobicContact CG1-CD2 4.11Å; V195-F197 HydrophobicContact CG1-CE1 4.04Å; V195-F197 HydrophobicContact CG1-CE2 3.45Å; V195-F197 VanDerWaalsContact CG1-CE2 3.45Å; V195-F197 HydrophobicContact CG1-CZ 3.41Å; V195-F197 VanDerWaalsContact CG1-CZ 3.41Å; V195-V210 PolarHBondContact N-O 2.91Å; V195-V210 PolarHBondContact O-N 3.43Å; V195-V210 VanDerWaalsContact O-N 3.16Å; V195-V212 HydrophobicContact CB-CG2 4.47Å; V195-V212 HydrophobicContact CG2-CG2 3.61Å
196	H	50.2	Low	45	Very low	61 Å²	61	93 Å²	93	28%	0.282	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.4	175.6	-76.7	-97.5	0	0	0	109.9	V180 Q209	V180-H196 PolarHBondContact N-O 3.12Å; V180-H196 PolarHBondContact O-N 3.4Å; H196-Q209 PolarHBondContact CE1-NE2 2.98Å; H196-Q209 PolarHBondContact NE2-NE2 2.77Å
197	F	48.3	Very low	45.7	Very low	52 Å²	52	96.1 Å²	96.1	23%	0.228	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.6	171.4	-62.2	-83.5	0	0	0	108.7	A179 V195 E207 Q208 L220	A179-F197 HydrophobicContact CB-CD1 4.34Å; A179-F197 HydrophobicContact CB-CE1 4.34Å; V195-F197 HydrophobicContact CB-CE2 3.93Å; V195-F197 HydrophobicContact CB-CZ 4.26Å; V195-F197 HydrophobicContact CG1-CD2 4.11Å; V195-F197 HydrophobicContact CG1-CE1 4.04Å; V195-F197 HydrophobicContact CG1-CE2 3.45Å; V195-F197 VanDerWaalsContact CG1-CE2 3.45Å; V195-F197 HydrophobicContact CG1-CZ 3.41Å; V195-F197 VanDerWaalsContact CG1-CZ 3.41Å; F197-E207 WeakPolarHBondContact O-CA 3.21Å; F197-Q208 PolarHBondContact N-O 2.8Å; F197-Q208 PolarHBondContact O-N 3.19Å; F197-L220 HydrophobicContact CZ-CD2 4.44Å
198	T	44.1	Very low	46.2	Very low	57 Å²	57	98.3 Å²	98.3	35%	0.35	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.2	170.6	48	0	0	0	0	107.5	T178 E207	T178-T198 PolarHBondContact O-OG1 3.13Å; T198-E207 HydrophobicContact CG2-CG 4.07Å
199	M	47.3	Very low	46.6	Very low	59 Å²	59	97.3 Å²	97.3	29%	0.291	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124	177.3	-161.1	173.9	62.4	0	0	108.8	V201 Q206	M199-V201 HydrophobicContact CE-CG2 3.83Å; M199-V201 HydrophobicContact CG-CG2 4Å; M199-V201 HydrophobicContact SD-CG2 4.25Å; M199-Q206 PolarHBondContact N-O 3.06Å; M199-Q206 VanDerWaalsContact N-O 3.08Å; M199-Q206 PolarHBondContact O-N 3.24Å
200	E	39.1	Very low	46.8	Very low	149 Å²	149	90.6 Å²	90.6	70%	0.696	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	113	169.8	-77.5	-172.9	171.5	0	0	108.6	T205	E200-T205 HydrophobicContact CG-CG2 3.41Å; E200-T205 VanDerWaalsContact CG-CG2 3.41Å; E200-T205 VanDerWaalsContact OE1-CG2 3.27Å; E200-T205 WeakPolarHBondContact OE1-CG2 3.44Å
201	V	45.3	Very low	47.4	Very low	71 Å²	71	86.6 Å²	86.6	43%	0.43	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.9	168.2	-174.4	0	0	0	0	106.9	M199 G203 T204	M199-V201 HydrophobicContact CE-CG2 3.83Å; M199-V201 HydrophobicContact CG-CG2 4Å; M199-V201 HydrophobicContact SD-CG2 4.25Å; V201-G203 VanDerWaalsContact C-N 3.3Å; V201-G203 PolarHBondContact O-N 2.71Å; V201-T204 PolarHBondContact N-O 3.06Å; V201-T204 PolarHBondContact O-N 3.48Å; V201-T204 PolarHBondContact O-OG1 2.81Å
202	D	36.5	Very low	48.4	Very low	163 Å²	163	83.2 Å²	83.2	87%	0.872	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.3	176.4	-60.9	-33.4	0	0	0	114.9	T204	D202-T204 VanDerWaalsContact C-N 3.31Å; D202-T204 PolarHBondContact O-N 3Å
203	G	49	Very low	49	Very low	78 Å²	78	81.6 Å²	81.6	80%	0.804	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	10.9	174.1	0	0	0	0	0	115.3	V201	V201-G203 VanDerWaalsContact C-N 3.3Å; V201-G203 PolarHBondContact O-N 2.71Å
204	T	40.8	Very low	49.2	Very low	100 Å²	100	81.4 Å²	81.4	61%	0.613	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	121	167.6	52	0	0	0	0	110.4	V201 D202 Q206	V201-T204 PolarHBondContact N-O 3.06Å; V201-T204 PolarHBondContact O-N 3.48Å; V201-T204 PolarHBondContact O-OG1 2.81Å; D202-T204 VanDerWaalsContact C-N 3.31Å; D202-T204 PolarHBondContact O-N 3Å; T204-Q206 PolarHBondContact O-N 3.19Å
205	T	43.9	Very low	49.7	Very low	87 Å²	87	82.7 Å²	82.7	53%	0.534	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.7	171.9	43.1	0	0	0	0	108.9	E200	E200-T205 HydrophobicContact CG-CG2 3.41Å; E200-T205 VanDerWaalsContact CG-CG2 3.41Å; E200-T205 VanDerWaalsContact OE1-CG2 3.27Å; E200-T205 WeakPolarHBondContact OE1-CG2 3.44Å
206	Q	48.3	Very low	50	Low	142 Å²	142	86.7 Å²	86.7	66%	0.664	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	119.3	169.6	-129.8	175.4	14.2	0	0	108.7	M199 T204	M199-Q206 PolarHBondContact N-O 3.06Å; M199-Q206 VanDerWaalsContact N-O 3.08Å; M199-Q206 PolarHBondContact O-N 3.24Å; T204-Q206 PolarHBondContact O-N 3.19Å
207	E	49.6	Very low	50.4	Low	143 Å²	143	84 Å²	84	67%	0.668	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.3	177.6	-54.5	-165.8	157.2	0	0	109.2	F197 T198	F197-E207 WeakPolarHBondContact O-CA 3.21Å; T198-E207 HydrophobicContact CG2-CG 4.07Å
208	Q	51.7	Low	50.9	Low	120 Å²	120	85.7 Å²	85.7	56%	0.561	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	132.3	175	-162.3	162.3	12.5	0	0	110.6	F197	F197-Q208 PolarHBondContact N-O 2.8Å; F197-Q208 PolarHBondContact O-N 3.19Å
209	Q	51.8	Low	51.6	Low	99 Å²	99	85.9 Å²	85.9	46%	0.463	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.3	-173.2	-162.5	179.6	37.3	0	0	109.1	Q194 H196	Q194-Q209 HydrophobicContact CG-CG 3.47Å; Q194-Q209 VanDerWaalsContact CG-CG 3.47Å; Q194-Q209 VanDerWaalsContact OE1-NE2 3.09Å; H196-Q209 PolarHBondContact CE1-NE2 2.98Å; H196-Q209 PolarHBondContact NE2-NE2 2.77Å
210	V	55.6	Low	52.1	Low	60 Å²	60	84 Å²	84	36%	0.364	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.6	-178.5	-175.7	0	0	0	0	109.5	V195 V212	V195-V210 PolarHBondContact N-O 2.91Å; V195-V210 PolarHBondContact O-N 3.43Å; V195-V210 VanDerWaalsContact O-N 3.16Å; V210-V212 HydrophobicContact CG1-CG1 4.34Å
211	V	54	Low	53.1	Low	62 Å²	62	79 Å²	79	38%	0.376	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.5	176.1	-175.2	0	0	0	0	108.4	L192 Q194	L192-V211 HydrophobicContact CB-CG1 3.96Å; L192-V211 HydrophobicContact CD1-CG1 4.48Å; L192-V211 HydrophobicContact CD2-CG1 4.36Å; Q194-V211 HydrophobicContact CG-CG2 4.48Å
212	V	63.8	Low	53.9	Low	14 Å²	14	78.7 Å²	78.7	9%	0.085	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.4	-175.1	-90.7	0	0	0	0	111.1	R193 V195 V210 Q216 A217 L220	R193-V212 PolarHBondContact O-N 3.1Å; V195-V212 HydrophobicContact CB-CG2 4.47Å; V195-V212 HydrophobicContact CG2-CG2 3.61Å; V210-V212 HydrophobicContact CG1-CG1 4.34Å; V212-Q216 HydrophobicContact CB-CB 4.18Å; V212-Q216 HydrophobicContact CG1-CB 4.29Å; V212-A217 HydrophobicContact CG2-CB 4.23Å; V212-L220 HydrophobicContact CG1-CD1 4.39Å; V212-L220 HydrophobicContact CG2-CD1 4.36Å
213	D	58	Low	54.9	Low	64 Å²	64	71.5 Å²	71.5	34%	0.342	42%	0.424	S	S	.	.			trans	-68.8	163	174.3	80.3	45.7	0	0	0	112	S215 Q216 A217	D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 3.35Å; D213-S215 WeakPolarHBondContact OD1-CA 3.47Å; D213-S215 WeakPolarHBondContact OD1-CB 3.04Å; D213-S215 PolarHBondContact OD1-N 2.7Å; D213-S215 PolarHBondContact OD1-OG 3.12Å; D213-Q216 PolarHBondContact O-N 2.84Å; D213-Q216 WeakPolarHBondContact OD1-CG 3.42Å; D213-Q216 PolarHBondContact OD1-N 3.47Å; D213-Q216 VanDerWaalsContact OD2-CD 3.22Å; D213-Q216 WeakPolarHBondContact OD2-CG 3.26Å; D213-Q216 PolarHBondContact OD2-NE2 3.09Å; D213-A217 WeakPolarHBondContact O-CB 3.24Å; D213-A217 PolarHBondContact O-N 3.13Å
214	Q	54.8	Low	55.1	Low	69 Å²	69	69.8 Å²	69.8	32%	0.322	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-39.2	-175.6	-175.2	62.1	45.5	0	0	113.2	D218	Q214-D218 PolarHBondContact NE2-OD1 3.02Å; Q214-D218 VanDerWaalsContact NE2-OD1 3.12Å; Q214-D218 PolarHBondContact NE2-OD2 3.12Å; Q214-D218 PolarHBondContact O-N 2.8Å; Q214-D218 VanDerWaalsContact O-N 3.1Å
215	S	59.4	Low	55.8	Low	84 Å²	84	69.4 Å²	69.4	59%	0.587	41%	0.408	S	S	*	.	H	α-helix	trans	-72	-33.7	-178.7	71.9	0	0	0	0	112.4	D213 A219	D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 3.35Å; D213-S215 WeakPolarHBondContact OD1-CA 3.47Å; D213-S215 WeakPolarHBondContact OD1-CB 3.04Å; D213-S215 PolarHBondContact OD1-N 2.7Å; D213-S215 PolarHBondContact OD1-OG 3.12Å; S215-A219 WeakPolarHBondContact O-CB 3.36Å; S215-A219 PolarHBondContact O-N 3.22Å
216	Q	57.9	Low	56.5	Low	87 Å²	87	68.4 Å²	68.4	41%	0.407	41%	0.409	S	S	.	.	H	α-helix	trans	-76.3	-37.8	176.9	-66.6	177.4	20.5	0	0	111.4	V212 D213 A219 L220	V212-Q216 HydrophobicContact CB-CB 4.18Å; V212-Q216 HydrophobicContact CG1-CB 4.29Å; D213-Q216 PolarHBondContact O-N 2.84Å; D213-Q216 WeakPolarHBondContact OD1-CG 3.42Å; D213-Q216 PolarHBondContact OD1-N 3.47Å; D213-Q216 VanDerWaalsContact OD2-CD 3.22Å; D213-Q216 WeakPolarHBondContact OD2-CG 3.26Å; D213-Q216 PolarHBondContact OD2-NE2 3.09Å; Q216-A219 PolarHBondContact O-N 3.14Å; Q216-L220 WeakPolarHBondContact O-CB 3.48Å; Q216-L220 WeakPolarHBondContact O-CD1 3.24Å; Q216-L220 WeakPolarHBondContact O-CG 3.48Å; Q216-L220 PolarHBondContact O-N 2.74Å
217	A	58.8	Low	56.6	Low	3 Å²	3	64.6 Å²	64.6	3%	0.025	41%	0.408	C	S	.	.	H	α-helix	trans	-63.8	-42.1	174.8	0	0	0	0	0	112	V212 D213 L220 A221	V212-A217 HydrophobicContact CG2-CB 4.23Å; D213-A217 WeakPolarHBondContact O-CB 3.24Å; D213-A217 PolarHBondContact O-N 3.13Å; A217-L220 PolarHBondContact O-N 3.01Å; A217-A221 WeakPolarHBondContact O-CB 3.29Å; A217-A221 PolarHBondContact O-N 3.1Å
218	D	58.9	Low	56.9	Low	88 Å²	88	61.8 Å²	61.8	47%	0.471	40%	0.398	S	S	.	.	H	α-helix	trans	-68.8	-37	178.6	-67.3	-23.9	0	0	0	111.7	Q214 A222	Q214-D218 PolarHBondContact NE2-OD1 3.02Å; Q214-D218 VanDerWaalsContact NE2-OD1 3.12Å; Q214-D218 PolarHBondContact NE2-OD2 3.12Å; Q214-D218 PolarHBondContact O-N 2.8Å; Q214-D218 VanDerWaalsContact O-N 3.1Å; D218-A222 WeakPolarHBondContact O-CB 3.47Å; D218-A222 PolarHBondContact O-N 2.92Å
219	A	59.9	Low	57	Low	62 Å²	62	58.9 Å²	58.9	51%	0.512	39%	0.391	S	S	.	.	H	α-helix	trans	-67.3	-38.8	173.9	0	0	0	0	0	112.6	S215 Q216 A222 A223	S215-A219 WeakPolarHBondContact O-CB 3.36Å; S215-A219 PolarHBondContact O-N 3.22Å; Q216-A219 PolarHBondContact O-N 3.14Å; A219-A222 PolarHBondContact O-N 3.12Å; A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 3.06Å
220	L	57.8	Low	56.8	Low	19 Å²	19	61 Å²	61	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-67.9	-41.6	175.8	-82.4	165	0	0	0	112.1	F197 V212 Q216 A217 A222 A223 A224 I235	F197-L220 HydrophobicContact CZ-CD2 4.44Å; V212-L220 HydrophobicContact CG1-CD1 4.39Å; V212-L220 HydrophobicContact CG2-CD1 4.36Å; Q216-L220 WeakPolarHBondContact O-CB 3.48Å; Q216-L220 WeakPolarHBondContact O-CD1 3.24Å; Q216-L220 WeakPolarHBondContact O-CG 3.48Å; Q216-L220 PolarHBondContact O-N 2.74Å; A217-L220 PolarHBondContact O-N 3.01Å; L220-A222 VanDerWaalsContact C-N 3.35Å; L220-A223 PolarHBondContact O-N 3.17Å; L220-A224 WeakPolarHBondContact O-CB 3.18Å; L220-A224 PolarHBondContact O-N 3.28Å; L220-I235 HydrophobicContact CD2-CD1 3.4Å; L220-I235 HydrophobicContact CG-CD1 4.3Å
221	A	60.2	Low	56.5	Low	45 Å²	45	61.7 Å²	61.7	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-40	175.3	0	0	0	0	0	111.8	A217 A225	A217-A221 WeakPolarHBondContact O-CB 3.29Å; A217-A221 PolarHBondContact O-N 3.1Å; A221-A225 WeakPolarHBondContact O-CB 3.27Å; A221-A225 PolarHBondContact O-N 3.04Å
222	A	60.5	Low	56.2	Low	63 Å²	63	59.9 Å²	59.9	52%	0.521	40%	0.395	S	S	.	.	H	α-helix	trans	-66.5	-40.5	175.6	0	0	0	0	0	112.6	D218 A219 L220 A225 A226	D218-A222 WeakPolarHBondContact O-CB 3.47Å; D218-A222 PolarHBondContact O-N 2.92Å; A219-A222 PolarHBondContact O-N 3.12Å; L220-A222 VanDerWaalsContact C-N 3.35Å; A222-A225 PolarHBondContact O-N 3.35Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 3.33Å; A222-A226 VanDerWaalsContact O-N 3.08Å
223	A	57.6	Low	55.4	Low	13 Å²	13	63 Å²	63	11%	0.107	41%	0.409	C	S	.	.	H	α-helix	trans	-69	-38.5	177.1	0	0	0	0	0	112.5	A219 L220 A226 G227 D228 I231	A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 3.06Å; L220-A223 PolarHBondContact O-N 3.17Å; A223-A226 PolarHBondContact O-N 3.42Å; A223-G227 PolarHBondContact O-N 2.81Å; A223-D228 PolarHBondContact O-N 3.39Å; A223-I231 HydrophobicContact CB-CB 4.49Å; A223-I231 HydrophobicContact CB-CD1 4.39Å; A223-I231 HydrophobicContact CB-CG2 4.14Å
224	A	53.8	Low	54.7	Low	41 Å²	41	62.7 Å²	62.7	34%	0.339	42%	0.415	S	S	.	.	H	α-helix	trans	-65.8	-40.9	174.1	0	0	0	0	0	111.8	A179 L220 A226 G227	A179-A224 HydrophobicContact CB-CB 4.26Å; L220-A224 WeakPolarHBondContact O-CB 3.18Å; L220-A224 PolarHBondContact O-N 3.28Å; A224-A226 PolarHBondContact O-N 3.41Å; A224-G227 PolarHBondContact O-N 3.4Å
225	A	54.6	Low	54.5	Low	92 Å²	92	62.6 Å²	62.6	76%	0.76	42%	0.416	S	S	*	.	H	α-helix	trans	-65.9	-26.8	174.7	0	0	0	0	0	113.2	A221 A222 G227	A221-A225 WeakPolarHBondContact O-CB 3.27Å; A221-A225 PolarHBondContact O-N 3.04Å; A222-A225 PolarHBondContact O-N 3.35Å; A225-G227 VanDerWaalsContact C-N 3.34Å
226	A	59.2	Low	53.9	Low	67 Å²	67	62.5 Å²	62.5	55%	0.554	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.5	175.9	0	0	0	0	0	113.9	A222 A223 A224 D228	A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 3.33Å; A222-A226 VanDerWaalsContact O-N 3.08Å; A223-A226 PolarHBondContact O-N 3.42Å; A224-A226 PolarHBondContact O-N 3.41Å; A226-D228 VanDerWaalsContact C-N 3.31Å; A226-D228 PolarHBondContact O-N 3.45Å
227	G	51.4	Low	53.4	Low	61 Å²	61	64.1 Å²	64.1	63%	0.629	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	17	-180	0	0	0	0	0	114.7	A223 A224 A225 S229	A223-G227 PolarHBondContact O-N 2.81Å; A224-G227 PolarHBondContact O-N 3.4Å; A225-G227 VanDerWaalsContact C-N 3.34Å; G227-S229 PolarHBondContact O-N 3.11Å
228	D	55.3	Low	53	Low	85 Å²	85	67.3 Å²	67.3	46%	0.455	44%	0.441	S	S	.	.			trans	-81.3	77.7	-176.2	-82.3	-23	0	0	0	111.7	A223 A226 L230 I231	A223-D228 PolarHBondContact O-N 3.39Å; A226-D228 VanDerWaalsContact C-N 3.31Å; A226-D228 PolarHBondContact O-N 3.45Å; D228-L230 PolarHBondContact O-N 3.45Å; D228-L230 VanDerWaalsContact O-N 3.09Å; D228-I231 HydrophobicContact CB-CB 4.47Å; D228-I231 HydrophobicContact CB-CD1 3.81Å; D228-I231 HydrophobicContact CB-CG1 4.11Å; D228-I231 PolarHBondContact O-N 2.94Å
229	S	53.6	Low	52.5	Low	59 Å²	59	66.1 Å²	66.1	41%	0.413	45%	0.45	S	S	.	.	H	α-helix	trans	-61.4	-21.7	-176.9	84.9	0	0	0	0	114.1	G227 C232 Q233	G227-S229 PolarHBondContact O-N 3.11Å; S229-C232 PolarHBondContact O-N 2.72Å; S229-Q233 WeakPolarHBondContact O-CB 3.43Å; S229-Q233 PolarHBondContact O-N 3.06Å
230	L	48.6	Very low	51.5	Low	143 Å²	143	68.5 Å²	68.5	75%	0.749	45%	0.453	S	S	*	.	H	α-helix	trans	-70.9	-29.7	176.9	-67.5	174.9	0	0	0	113	D228 A234	D228-L230 PolarHBondContact O-N 3.45Å; D228-L230 VanDerWaalsContact O-N 3.09Å; L230-A234 VanDerWaalsContact O-CB 3.25Å; L230-A234 WeakPolarHBondContact O-CB 3.22Å; L230-A234 PolarHBondContact O-N 3.48Å
231	I	49.4	Very low	50.2	Low	75 Å²	75	72.3 Å²	72.3	39%	0.385	49%	0.487	S	S	.	.	H	α-helix	trans	-74.1	-43.2	177	-63	176.5	0	0	0	108.9	A223 D228 Q233 A234 I235	A223-I231 HydrophobicContact CB-CB 4.49Å; A223-I231 HydrophobicContact CB-CD1 4.39Å; A223-I231 HydrophobicContact CB-CG2 4.14Å; D228-I231 HydrophobicContact CB-CB 4.47Å; D228-I231 HydrophobicContact CB-CD1 3.81Å; D228-I231 HydrophobicContact CB-CG1 4.11Å; D228-I231 PolarHBondContact O-N 2.94Å; I231-Q233 PolarHBondContact O-N 3.23Å; I231-A234 PolarHBondContact O-N 3.32Å; I231-I235 HydrophobicContact CG2-CD1 3.99Å; I231-I235 VanDerWaalsContact O-CG1 3.3Å; I231-I235 WeakPolarHBondContact O-CG1 3.45Å; I231-I235 PolarHBondContact O-N 3.39Å
232	C	45.7	Very low	48.6	Very low	24 Å²	24	76.1 Å²	76.1	16%	0.162	50%	0.5	C	S	.	.	H	α-helix	trans	-60.1	-44.2	174.2	-61.5	0	0	0	0	111.7	S229 I235 I236	S229-C232 PolarHBondContact O-N 2.72Å; C232-I235 PolarHBondContact O-N 3.35Å; C232-I236 WeakPolarHBondContact O-CG1 3.13Å; C232-I236 PolarHBondContact O-N 2.9Å; C232-I236 VanDerWaalsContact O-N 3.13Å
233	Q	47.3	Very low	47.1	Very low	79 Å²	79	77 Å²	77	37%	0.369	52%	0.515	S	S	.	.	H	α-helix	trans	-68.4	-35.1	177.7	-165.6	65.9	48.5	0	0	113	S229 I231 I235 N237	S229-Q233 WeakPolarHBondContact O-CB 3.43Å; S229-Q233 PolarHBondContact O-N 3.06Å; I231-Q233 PolarHBondContact O-N 3.23Å; Q233-I235 VanDerWaalsContact C-N 3.31Å; Q233-N237 PolarHBondContact NE2-OD1 2.82Å; Q233-N237 WeakPolarHBondContact O-CB 3.38Å; Q233-N237 PolarHBondContact O-N 3.16Å; Q233-N237 PolarHBondContact O-ND2 2.98Å
234	A	43.1	Very low	45.6	Very low	57 Å²	57	82.9 Å²	82.9	47%	0.471	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-35.2	176.3	0	0	0	0	0	111.9	L230 I231 N237 S238	L230-A234 VanDerWaalsContact O-CB 3.25Å; L230-A234 WeakPolarHBondContact O-CB 3.22Å; L230-A234 PolarHBondContact O-N 3.48Å; I231-A234 PolarHBondContact O-N 3.32Å; A234-N237 PolarHBondContact O-N 3.26Å; A234-S238 VanDerWaalsContact O-CB 3.28Å; A234-S238 WeakPolarHBondContact O-CB 3.35Å; A234-S238 PolarHBondContact O-N 3.16Å; A234-S238 VanDerWaalsContact O-N 3.13Å; A234-S238 PolarHBondContact O-OG 3.31Å; A234-S238 VanDerWaalsContact O-OG 3.11Å
235	I	50.7	Low	44.6	Very low	67 Å²	67	90 Å²	90	34%	0.344	58%	0.577	S	S	.	*	H	α-helix	trans	-71.6	-45.5	178.5	-66.9	169.3	0	0	0	110.5	L220 I231 C232 Q233 N237 S238	L220-I235 HydrophobicContact CD2-CD1 3.4Å; L220-I235 HydrophobicContact CG-CD1 4.3Å; I231-I235 HydrophobicContact CG2-CD1 3.99Å; I231-I235 VanDerWaalsContact O-CG1 3.3Å; I231-I235 WeakPolarHBondContact O-CG1 3.45Å; I231-I235 PolarHBondContact O-N 3.39Å; C232-I235 PolarHBondContact O-N 3.35Å; Q233-I235 VanDerWaalsContact C-N 3.31Å; I235-N237 VanDerWaalsContact C-N 3.26Å; I235-N237 PolarHBondContact O-N 2.74Å; I235-S238 WeakPolarHBondContact CA-OG 3.4Å; I235-S238 PolarHBondContact O-N 2.94Å; I235-S238 VanDerWaalsContact O-N 3.08Å; I235-S238 PolarHBondContact O-OG 2.75Å
236	I	47.7	Very low	43.3	Very low	83 Å²	83	94.2 Å²	94.2	43%	0.426	58%	0.581	S	S	.	*	H	α-helix	trans	-56.6	-40.9	173.9	-66.6	167.3	0	0	0	111.3	C232 S238	C232-I236 WeakPolarHBondContact O-CG1 3.13Å; C232-I236 PolarHBondContact O-N 2.9Å; C232-I236 VanDerWaalsContact O-N 3.13Å; I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 PolarHBondContact O-N 3.34Å
237	N	46.6	Very low	41.8	Very low	120 Å²	120	96.8 Å²	96.8	64%	0.642	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-10.7	-178.7	-68.4	-15.4	0	0	0	114.1	Q233 A234 I235	Q233-N237 PolarHBondContact NE2-OD1 2.82Å; Q233-N237 WeakPolarHBondContact O-CB 3.38Å; Q233-N237 PolarHBondContact O-N 3.16Å; Q233-N237 PolarHBondContact O-ND2 2.98Å; A234-N237 PolarHBondContact O-N 3.26Å; I235-N237 VanDerWaalsContact C-N 3.26Å; I235-N237 PolarHBondContact O-N 2.74Å
238	S	50.8	Low	40.5	Very low	70 Å²	70	100 Å²	100	49%	0.49	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	0.3	-175.4	58.9	0	0	0	0	114.9	A234 I235 I236 I240	A234-S238 VanDerWaalsContact O-CB 3.28Å; A234-S238 WeakPolarHBondContact O-CB 3.35Å; A234-S238 PolarHBondContact O-N 3.16Å; A234-S238 VanDerWaalsContact O-N 3.13Å; A234-S238 PolarHBondContact O-OG 3.31Å; A234-S238 VanDerWaalsContact O-OG 3.11Å; I235-S238 WeakPolarHBondContact CA-OG 3.4Å; I235-S238 PolarHBondContact O-N 2.94Å; I235-S238 VanDerWaalsContact O-N 3.08Å; I235-S238 PolarHBondContact O-OG 2.75Å; I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 PolarHBondContact O-N 3.34Å; S238-I240 PolarHBondContact O-N 3.39Å
239	G	48.7	Very low	39.1	Very low	63 Å²	63	103 Å²	103	65%	0.649	62%	0.618	S	S	*	*			trans	46.7	58.6	161.9	0	0	0	0	0	114	A241	G239-A241 PolarHBondContact O-N 3.49Å
240	I	38.4	Very low	37.8	Very low	112 Å²	112	108 Å²	108	57%	0.574	64%	0.635	S	S	*	*			trans	-65.9	99.1	179.5	-58.7	175.3	0	0	0	108.2	S238 L242	S238-I240 PolarHBondContact O-N 3.39Å; I240-L242 HydrophobicContact CG2-CD2 4.48Å; I240-L242 HydrophobicContact CG2-CG 4.41Å; I240-L242 PolarHBondContact O-N 3.32Å; I240-L242 VanDerWaalsContact O-N 3.11Å
241	A	30	Very low	36.6	Very low	99 Å²	99	109.9 Å²	109.9	82%	0.818	64%	0.64	S	S	*	*			trans	-69.7	100.7	171.1	0	0	0	0	0	109	G239	G239-A241 PolarHBondContact O-N 3.49Å
242	L	28.1	Very low	35.5	Very low	125 Å²	125	111.4 Å²	111.4	65%	0.654	66%	0.657	S	S	*	*			trans	-81.2	126.1	164	-69.8	171.9	0	0	0	108.1	I240 T244	I240-L242 HydrophobicContact CG2-CD2 4.48Å; I240-L242 HydrophobicContact CG2-CG 4.41Å; I240-L242 PolarHBondContact O-N 3.32Å; I240-L242 VanDerWaalsContact O-N 3.11Å; L242-T244 PolarHBondContact O-N 3.18Å
243	G	28.4	Very low	34.4	Very low	81 Å²	81	115.4 Å²	115.4	84%	0.835	69%	0.685	S	S	*	*			trans	-60.8	131.6	177.8	0	0	0	0	0	111.2
244	T	26.9	Very low	33.7	Very low	138 Å²	138	117.1 Å²	117.1	85%	0.847	70%	0.703	S	S	*	*			trans	-101.3	115.5	162.2	51.3	0	0	0	0	107.4	L242	L242-T244 PolarHBondContact O-N 3.18Å
245	E	32.4	Very low	32.8	Very low	191 Å²	191	119.1 Å²	119.1	89%	0.893	72%	0.72	S	S	*	*			trans	-62.2	135.9	155.4	-63.7	-160.1	158.3	0	0	108.8
246	E	28.1	Very low	31.6	Very low	179 Å²	179	119.9 Å²	119.9	84%	0.836	74%	0.736	S	S	*	*			trans	-160.9	108.1	147.6	-112.5	174.5	-166.3	0	0	111
247	T	25.8	Very low	30.6	Very low	122 Å²	122	124.3 Å²	124.3	75%	0.748	76%	0.755	S	S	*	*			trans	48.7	109.6	133	61.1	0	0	0	0	121.9
248	V	25.3	Very low	29.6	Very low	129 Å²	129	126.1 Å²	126.1	78%	0.782	76%	0.759	S	S	*	*			trans	9.8	125.9	133.7	-172.9	0	0	0	0	119.1
249	V	25.5	Very low	28.4	Very low	147 Å²	147	129.6 Å²	129.6	89%	0.891	77%	0.772	S	S	*	*				-146.7	137.3	123.7	-175.9	0	0	0	0	109.5
250	E	26.6	Very low	27.2	Very low	165 Å²	165	132.5 Å²	132.5	77%	0.771	77%	0.773	S	S	*	*			trans	-62.7	156.7	-177.1	-55.6	-175.9	136.2	0	0	115.2
251	E	23.3	Very low	26.7	Very low	181 Å²	181	134.7 Å²	134.7	85%	0.846	78%	0.778	S	S	*	*				-174.4	119.8	109.8	-98.5	-175.4	-180	0	0	113.4
252	S	25.3	Very low	26.4	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	78%	0.775	S	S	*	*			trans	40.8	119.7	144.9	56.3	0	0	0	0	123.8
253	S	23	Very low	26.5	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	78%	0.783	S	S	*	*			trans	-50.9	176.3	148.6	76	0	0	0	0	113.7
254	P	34.1	Very low	27	Very low	116 Å²	116	140.4 Å²	140.4	75%	0.753	78%	0.781	S	S	*	*			cis	-139.1	151.2	38.1	21.1	6.7	0	0	0	115.2
255	A	23.5	Very low	26.8	Very low	98 Å²	98	141.2 Å²	141.2	81%	0.81	78%	0.78	S	S	*	*				86.7	156.6	79.7	0	0	0	0	0	115.9
256	A	25.6	Very low	26.6	Very low	83 Å²	83	135.7 Å²	135.7	69%	0.686	77%	0.768	S	S	*	*			trans	91.3	110.5	168.2	0	0	0	0	0	116.3
257	Q	25.6	Very low	26.7	Very low	176 Å²	176	134.2 Å²	134.2	82%	0.822	77%	0.771	S	S	*	*				76.6	133.5	78.8	-79.8	174.3	-3.6	0	0	110.2
258	E	26.1	Very low	26.8	Very low	158 Å²	158	136 Å²	136	74%	0.738	78%	0.776	S	S	*	*			cis	-159.4	155.6	35.7	-72	-147.7	135.8	0	0	108.8
259	L	25.5	Very low	27	Very low	143 Å²	143	137 Å²	137	75%	0.749	78%	0.782	S	S	*	*				44.8	128.3	79.1	-87.8	160	0	0	0	111.2
260	D	24.7	Very low	27.1	Very low	125 Å²	125	135.7 Å²	135.7	67%	0.668	77%	0.77	S	S	*	*			cis	179	178.2	24.8	-164	4.9	0	0	0	107.6
261	K	27.5	Very low	27.5	Very low	158 Å²	158	135.7 Å²	135.7	69%	0.687	77%	0.77	S	S	*	*			trans	101.5	109.1	149.4	-67.5	-179.5	-178.2	-177.6	0	123.2
262	D	23.4	Very low	27.6	Very low	143 Å²	143	132.3 Å²	132.3	77%	0.765	77%	0.766	S	S	*	*				94.8	121.1	114.4	-62.9	-25.3	0	0	0	121.6
263	I	29.8	Very low	28.3	Very low	160 Å²	160	133.8 Å²	133.8	82%	0.821	77%	0.77	S	S	*	*			trans	-84.5	150.1	164.9	-51.7	161.6	0	0	0	107.4
264	P	39.1	Very low	28.5	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	77%	0.768	S	S	*	*				-151.6	179.4	90.2	40.6	-19	0	0	0	111.4
265	D	23.1	Very low	28.4	Very low	155 Å²	155	137.4 Å²	137.4	83%	0.829	77%	0.768	S	S	*	*			cis	-163.2	169.9	15.4	-161.4	-1.9	0	0	0	108.2
266	A	28.5	Very low	28.7	Very low	76 Å²	76	139.4 Å²	139.4	63%	0.628	76%	0.764	S	S	*	*			trans	-66.9	166.4	-170.1	0	0	0	0	0	118
267	T	29	Very low	28.9	Very low	148 Å²	148	143 Å²	143	91%	0.908	77%	0.767	S	S	*	*				-173	136.8	118.6	24.7	0	0	0	0	112.3
268	D	29	Very low	29.1	Very low	160 Å²	160	140.5 Å²	140.5	86%	0.856	76%	0.763	S	S	*	*			trans	-59.1	141.8	169.8	-84	-50.9	0	0	0	113.3
269	V	29.2	Very low	29.2	Very low	149 Å²	149	141.3 Å²	141.3	90%	0.903	76%	0.764	S	S	*	*				-155.5	141	128.2	-173.8	0	0	0	0	110.1
270	D	26.9	Very low	29.7	Very low	120 Å²	120	143.5 Å²	143.5	64%	0.642	77%	0.77	S	S	*	*			trans	-62.9	155.3	-172.3	-148.3	-2.6	0	0	0	118
271	Q	34.3	Very low	30.1	Very low	165 Å²	165	145.9 Å²	145.9	77%	0.771	78%	0.778	S	S	*	*			trans	38.4	110.6	151.6	-83	149.4	42.9	0	0	121.8
272	S	27.3	Very low	30.1	Very low	110 Å²	110	148.2 Å²	148.2	77%	0.769	79%	0.788	S	S	*	*			trans	-152.3	141.1	135.3	54.2	0	0	0	0	112.5	I274	S272-I274 PolarHBondContact O-N 3.07Å
273	V	38.6	Very low	30.4	Very low	138 Å²	138	149.9 Å²	149.9	84%	0.836	79%	0.791	S	S	*	*			trans	-61.3	119.4	176.5	174.4	0	0	0	0	109.6
274	I	28.7	Very low	30.5	Very low	138 Å²	138	151.1 Å²	151.1	71%	0.708	79%	0.794	S	S	*	*			trans	-103.4	98.1	173.2	-54.9	-179.2	0	0	0	109.4	S272 I276	S272-I274 PolarHBondContact O-N 3.07Å; I274-I276 HydrophobicContact CG2-CG1 3.72Å; I274-I276 PolarHBondContact O-N 3.16Å
275	E	31	Very low	30	Very low	162 Å²	162	152.1 Å²	152.1	76%	0.757	80%	0.798	S	S	*	*			trans	-66.5	108.2	155.3	-76.5	-174.3	149.2	0	0	108.6	Q277	E275-Q277 PolarHBondContact O-N 3.4Å
276	I	30.6	Very low	30.7	Very low	140 Å²	140	153.5 Å²	153.5	72%	0.718	80%	0.799	S	S	*	*			trans	-84.7	93.2	171.2	-56.9	178.7	0	0	0	108.5	I274 V278	I274-I276 HydrophobicContact CG2-CG1 3.72Å; I274-I276 PolarHBondContact O-N 3.16Å; I276-V278 HydrophobicContact CG2-CG2 3.96Å; I276-V278 PolarHBondContact O-N 3.23Å
277	Q	29.5	Very low	30.9	Very low	159 Å²	159	159.3 Å²	159.3	74%	0.743	81%	0.813	S	S	*	*			trans	-71.7	112	154.7	-75.1	175.3	-1.5	0	0	108.1	E275 K279	E275-Q277 PolarHBondContact O-N 3.4Å; Q277-K279 PolarHBondContact O-N 3.23Å
278	V	29	Very low	31.2	Very low	123 Å²	123	161.6 Å²	161.6	75%	0.745	81%	0.814	S	S	*	*			trans	-81.2	98.6	169.8	-177.1	0	0	0	0	107.5	I276	I276-V278 HydrophobicContact CG2-CG2 3.96Å; I276-V278 PolarHBondContact O-N 3.23Å
279	K	28.6	Very low	31.3	Very low	174 Å²	174	158.9 Å²	158.9	76%	0.757	81%	0.814	S	S	*	*			trans	-73.9	124.7	159.2	-89.5	-178.1	172.6	-176.2	0	108.1	Q277	Q277-K279 PolarHBondContact O-N 3.23Å
280	E	35.5	Very low	31.9	Very low	189 Å²	189	156.5 Å²	156.5	88%	0.883	81%	0.81	S	S	*	*			trans	-85.1	102.7	168.2	-73.4	178	161.4	0	0	108.2
281	E	32.6	Very low	32.2	Very low	176 Å²	176	160.1 Å²	160.1	82%	0.822	82%	0.823	S	S	*	*			trans	-131.1	118.4	156.3	-78.7	178.1	-178.8	0	0	106.1
282	F	27.5	Very low	32.6	Very low	206 Å²	206	160.1 Å²	160.1	90%	0.904	83%	0.828	S	S	*	*			trans	-137.5	114.9	166.2	-148.5	-93.7	0	0	0	107.2
283	E	29.8	Very low	33	Very low	178 Å²	178	166 Å²	166	83%	0.832	83%	0.833	S	S	*	*			trans	-65.8	136.7	173.1	-71.8	175.3	145.4	0	0	109.7
284	E	32.5	Very low	33.5	Very low	187 Å²	187	164.1 Å²	164.1	87%	0.874	83%	0.833	S	S	*	*			trans	-75.7	121.7	169.2	-69.2	173.1	157.5	0	0	108.5
285	T	27.8	Very low	34.4	Very low	141 Å²	141	162.3 Å²	162.3	87%	0.865	83%	0.832	S	S	*	*			trans	-120.8	115.9	155	46.2	0	0	0	0	108.6
286	E	38.4	Very low	35.1	Very low	184 Å²	184	159.2 Å²	159.2	86%	0.86	83%	0.827	S	S	*	*			trans	-74.6	127.6	173.6	-63	178.9	146.3	0	0	109.7
287	E	32.4	Very low	36.6	Very low	199 Å²	199	160.3 Å²	160.3	93%	0.93	83%	0.827	S	S	*	*			trans	-140.5	123.7	147.2	-79.6	-168.5	161.4	0	0	108.8
288	E	36.3	Very low	38.5	Very low	196 Å²	196	157 Å²	157	92%	0.916	81%	0.813	S	S	*	*			trans	-83.4	129.9	177.7	-65	-172.5	145.9	0	0	111.2
289	A	31.2	Very low	40.4	Very low	103 Å²	103	154.9 Å²	154.9	85%	0.851	79%	0.793	S	S	*	*			trans	-173.2	134	131.3	0	0	0	0	0	109.6
290	A	40.6	Very low	42.5	Very low	99 Å²	99	151 Å²	151	82%	0.818	78%	0.784	S	S	*	*			trans	-69	138.4	-169.6	0	0	0	0	0	114.1
291	E	34.7	Very low	44.5	Very low	196 Å²	196	142.2 Å²	142.2	92%	0.916	74%	0.743	S	S	*	*			trans	-159.4	138	139.6	-111.2	173.4	-150.7	0	0	112	R293	E291-R293 PolarHBondContact O-N 3.15Å
292	D	41.7	Very low	46.3	Very low	165 Å²	165	138.8 Å²	138.8	88%	0.882	74%	0.736	S	S	*	*			trans	-76.8	104.2	-164.5	-159	2.7	0	0	0	111.5
293	R	36.9	Very low	48.2	Very low	232 Å²	232	134.9 Å²	134.9	88%	0.875	72%	0.721	S	S	*	*			trans	-149.9	104.6	162.2	-136.1	174.8	-174.3	126.5	-1.7	110.5	E291 S295	E291-R293 PolarHBondContact O-N 3.15Å; R293-S295 PolarHBondContact O-N 3.36Å
294	A	48.3	Very low	50.4	Low	100 Å²	100	128.4 Å²	128.4	83%	0.826	69%	0.694	S	S	*	*			trans	-62.3	79.6	168.8	0	0	0	0	0	110.7	C296	A294-C296 PolarHBondContact O-N 2.91Å; A294-C296 VanDerWaalsContact O-N 3.16Å
295	S	47.1	Very low	52.1	Low	100 Å²	100	124.7 Å²	124.7	70%	0.699	69%	0.689	S	S	*	*			trans	-72.6	105.6	171.4	56.3	0	0	0	0	108.2	R293 K297	R293-S295 PolarHBondContact O-N 3.36Å; S295-K297 PolarHBondContact O-N 3.41Å
296	C	46.8	Very low	54	Low	96 Å²	96	125.8 Å²	125.8	65%	0.649	68%	0.677	S	S	*	*			trans	-59.8	103.9	166.4	-71.2	0	0	0	0	107.5	A294 L298	A294-C296 PolarHBondContact O-N 2.91Å; A294-C296 VanDerWaalsContact O-N 3.16Å; C296-L298 PolarHBondContact O-N 3.49Å
297	K	61.5	Low	55.8	Low	164 Å²	164	120.2 Å²	120.2	71%	0.713	66%	0.658	S	S	*	*			trans	-52.1	105.7	174	-80.8	-178.6	177.4	178.6	0	109.1	S295 Y299	S295-K297 PolarHBondContact O-N 3.41Å; K297-Y299 WeakPolarHBondContact O-CE2 3.31Å
298	L	68.9	Low	58	Low	88 Å²	88	112.9 Å²	112.9	46%	0.461	62%	0.624	S	S	.	*			trans	-91.9	127	176.5	-81.3	160.7	0	0	0	108	C296 F308 K309	C296-L298 PolarHBondContact O-N 3.49Å; L298-F308 WeakPolarHBondContact CA-O 3.26Å; L298-K309 HydrophobicContact CD2-CB 4.4Å; L298-K309 HydrophobicContact CD2-CG 3.55Å
299	Y	69.7	Low	59.7	Low	79 Å²	79	112.1 Å²	112.1	31%	0.31	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	110.9	179.3	-62	-87	0	0	0	109.4	K297 S307 F308 V311 F314	K297-Y299 WeakPolarHBondContact O-CE2 3.31Å; Y299-S307 CarbonylContact O-C 3.59Å; Y299-S307 WeakPolarHBondContact O-CA 3.16Å; Y299-F308 PolarHBondContact N-O 3.17Å; Y299-F308 PolarHBondContact O-N 2.99Å; Y299-V311 HydrophobicContact CD1-CG2 4.39Å; Y299-V311 HydrophobicContact CD2-CG2 4.24Å; Y299-V311 HydrophobicContact CE1-CG2 3.63Å; Y299-V311 HydrophobicContact CE2-CB 4.3Å; Y299-V311 HydrophobicContact CE2-CG2 3.46Å; Y299-V311 VanDerWaalsContact CE2-CG2 3.46Å; Y299-V311 WeakPolarHBondContact OH-CG2 3.5Å; Y299-F314 VanDerWaalsContact CB-CG 3.43Å; Y299-F314 HydrophobicContact CD1-CD1 4.44Å; Y299-F314 HydrophobicContact CG-CB 4.19Å; Y299-F314 HydrophobicContact CG-CD1 4.44Å; Y299-F314 HydrophobicContact CG-CG 4.27Å
300	T	72.6	Confident	61.8	Low	93 Å²	93	108.1 Å²	108.1	57%	0.571	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92	129.7	-177.1	41.3	0	0	0	0	111.8	P302 F314	T300-P302 WeakPolarHBondContact O-CD 3.46Å; T300-F314 VanDerWaalsContact C-CE2 3.5Å; T300-F314 WeakPolarHBondContact O-CE2 3.3Å
301	C	77.8	Confident	63	Low	4 Å²	4	105.8 Å²	105.8	3%	0.027	56%	0.561	C	S	.	*			trans	-76.7	122.9	178.1	-174.1	0	0	0	0	112	H303 S305 R306 F314 H317 H321	C301-H303 PolarHBondContact O-N 2.99Å; C301-H303 PolarHBondContact SG-N 3.07Å; C301-H303 VanDerWaalsContact SG-N 3.44Å; C301-S305 VanDerWaalsContact O-CA 3.32Å; C301-S305 WeakPolarHBondContact O-CA 3.21Å; C301-S305 PolarHBondContact O-N 3.43Å; C301-R306 PolarHBondContact N-O 3.3Å; C301-F314 HydrophobicContact CB-CE2 4.31Å; C301-H317 VanDerWaalsContact CB-CD2 3.5Å; C301-H317 WeakPolarHBondContact CB-CD2 3.29Å; C301-H317 WeakPolarHBondContact CB-NE2 3.33Å; C301-H317 PolarHBondContact SG-CD2 2.77Å; C301-H317 PolarHBondContact SG-NE2 3.18Å; C301-H321 PolarHBondContact SG-CD2 3.33Å; C301-H321 PolarHBondContact SG-NE2 3.27Å; C301-H321 VanDerWaalsContact SG-NE2 3.37Å
302	P	69.1	Low	64.5	Low	105 Å²	105	101.1 Å²	101.1	68%	0.682	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18	177.5	25.2	-31.8	0	0	0	113.3	T300	T300-P302 WeakPolarHBondContact O-CD 3.46Å
303	H	68.5	Low	65.6	Low	124 Å²	124	101.2 Å²	101.2	57%	0.574	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-16.1	-177.8	-60.3	-68.8	0	0	0	114.8	C301 H321	C301-H303 PolarHBondContact O-N 2.99Å; C301-H303 PolarHBondContact SG-N 3.07Å; C301-H303 VanDerWaalsContact SG-N 3.44Å; H303-H321 HydrophobicContact CB-CB 4.36Å
304	C	75.1	Confident	67.1	Low	41 Å²	41	92.4 Å²	92.4	28%	0.277	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.6	18.7	178.5	76.2	0	0	0	0	114.8	R306 H317 H321	C304-R306 PolarHBondContact O-N 3.31Å; C304-H317 PolarHBondContact SG-CE1 2.8Å; C304-H317 PolarHBondContact SG-NE2 3.25Å; C304-H321 VanDerWaalsContact SG-CE1 3.59Å; C304-H321 PolarHBondContact SG-NE2 3.16Å
305	S	69.2	Low	68	Low	109 Å²	109	93.8 Å²	93.8	76%	0.762	48%	0.484	S	S	*	.			trans	59.3	9.6	171.6	-19	0	0	0	0	115.5	C301	C301-S305 VanDerWaalsContact O-CA 3.32Å; C301-S305 WeakPolarHBondContact O-CA 3.21Å; C301-S305 PolarHBondContact O-N 3.43Å
306	R	67.9	Low	68.8	Low	164 Å²	164	93.5 Å²	93.5	62%	0.619	47%	0.47	S	S	*	.			trans	-78.8	132.2	178.7	-78.9	-178	164.9	142.7	-1.7	111.5	C301 C304 F308	C301-R306 PolarHBondContact N-O 3.3Å; C304-R306 PolarHBondContact O-N 3.31Å; R306-F308 HydrophobicContact CB-CE2 3.74Å; R306-F308 HydrophobicContact CB-CZ 3.97Å; R306-F308 WeakPolarHBondContact O-CE2 3.34Å
307	S	76.2	Confident	70	Confident	67 Å²	67	90.6 Å²	90.6	47%	0.469	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.3	178	62.4	0	0	0	0	112.3	Y299	Y299-S307 CarbonylContact O-C 3.59Å; Y299-S307 WeakPolarHBondContact O-CA 3.16Å
308	F	78.3	Confident	70.2	Confident	46 Å²	46	84.1 Å²	84.1	20%	0.202	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.4	-177.3	-62.4	-89.5	0	0	0	110.8	L298 Y299 R306 G310 F314 H317	L298-F308 WeakPolarHBondContact CA-O 3.26Å; Y299-F308 PolarHBondContact N-O 3.17Å; Y299-F308 PolarHBondContact O-N 2.99Å; R306-F308 HydrophobicContact CB-CE2 3.74Å; R306-F308 HydrophobicContact CB-CZ 3.97Å; R306-F308 WeakPolarHBondContact O-CE2 3.34Å; F308-G310 PolarHBondContact O-N 3.23Å; F308-G310 VanDerWaalsContact O-N 3.12Å; F308-F314 HydrophobicContact CB-CB 4.11Å; F308-F314 HydrophobicContact CD2-CB 4.31Å; F308-F314 HydrophobicContact CD2-CD2 4.15Å; F308-F314 HydrophobicContact CG-CB 4.41Å; F308-H317 HydrophobicContact CD2-CB 4.48Å; F308-H317 HydrophobicContact CE1-CB 4.12Å; F308-H317 HydrophobicContact CE2-CB 3.75Å; F308-H317 AromaticContact CE2-CD2 3.29Å; F308-H317 WeakPolarHBondContact CE2-CD2 3.26Å; F308-H317 AromaticContact CE2-CG 3.39Å; F308-H317 AromaticContact CE2-NE2 3.83Å; F308-H317 HydrophobicContact CZ-CB 3.54Å; F308-H317 AromaticContact CZ-CD2 3.63Å; F308-H317 AromaticContact CZ-CE1 3.97Å; F308-H317 AromaticContact CZ-CG 3.23Å; F308-H317 AromaticContact CZ-ND1 3.5Å; F308-H317 WeakPolarHBondContact CZ-ND1 3.22Å
309	K	71	Confident	70.1	Confident	180 Å²	180	83.9 Å²	83.9	78%	0.783	42%	0.417	S	S	*	.	S	Bend	trans	-73.7	4.5	179.4	-65.4	-177.9	179.3	-174.5	0	114.3	L298	L298-K309 HydrophobicContact CD2-CB 4.4Å; L298-K309 HydrophobicContact CD2-CG 3.55Å
310	G	75	Confident	69.8	Low	18 Å²	18	81.5 Å²	81.5	19%	0.186	42%	0.415	C	S	.	.	S	Bend	trans	-156.8	137.1	179.6	0	0	0	0	0	113.6	F308 N312 Y313 F314	F308-G310 PolarHBondContact O-N 3.23Å; F308-G310 VanDerWaalsContact O-N 3.12Å; G310-N312 PolarHBondContact O-N 2.85Å; G310-N312 VanDerWaalsContact O-N 3.14Å; G310-Y313 PolarHBondContact O-N 3.26Å; G310-F314 PolarHBondContact O-N 3.42Å; G310-F314 VanDerWaalsContact O-N 3.09Å
311	V	66.9	Low	69.6	Low	50 Å²	50	80.9 Å²	80.9	30%	0.303	41%	0.406	S	S	.	.	H	α-helix	trans	-49.7	-40.6	-179.6	-176.1	0	0	0	0	112	Y299 F314 R315	Y299-V311 HydrophobicContact CD1-CG2 4.39Å; Y299-V311 HydrophobicContact CD2-CG2 4.24Å; Y299-V311 HydrophobicContact CE1-CG2 3.63Å; Y299-V311 HydrophobicContact CE2-CB 4.3Å; Y299-V311 HydrophobicContact CE2-CG2 3.46Å; Y299-V311 VanDerWaalsContact CE2-CG2 3.46Å; Y299-V311 WeakPolarHBondContact OH-CG2 3.5Å; V311-F314 PolarHBondContact O-N 2.92Å; V311-R315 VanDerWaalsContact O-CB 3.23Å; V311-R315 WeakPolarHBondContact O-CB 3.34Å; V311-R315 PolarHBondContact O-N 3.31Å
312	N	65.2	Low	69.1	Low	99 Å²	99	86.8 Å²	86.8	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-65.7	-44.1	-177.5	-67.8	-30.4	0	0	0	111.4	G310 R315 F316	G310-N312 PolarHBondContact O-N 2.85Å; G310-N312 VanDerWaalsContact O-N 3.14Å; N312-R315 PolarHBondContact O-N 2.92Å; N312-F316 HydrophobicContact CB-CE2 4.29Å; N312-F316 WeakPolarHBondContact O-CD2 3.36Å; N312-F316 WeakPolarHBondContact O-CG 3.38Å; N312-F316 PolarHBondContact O-N 3.17Å
313	Y	64.8	Low	68.7	Low	166 Å²	166	84 Å²	84	65%	0.651	43%	0.428	S	S	*	.	H	α-helix	trans	-68	-40.1	178.3	-63.4	-73.9	0	0	0	112	G310 F316 H317	G310-Y313 PolarHBondContact O-N 3.26Å; Y313-F316 PolarHBondContact O-N 3.43Å; Y313-H317 VanDerWaalsContact O-CB 3.3Å; Y313-H317 WeakPolarHBondContact O-CB 3.15Å; Y313-H317 PolarHBondContact O-N 3.41Å
314	F	68.5	Low	68.4	Low	47 Å²	47	84.9 Å²	84.9	21%	0.206	43%	0.427	C	S	.	.	H	α-helix	trans	-59.2	-49.8	171.8	172.7	-107.9	0	0	0	112.2	Y299 T300 C301 F308 G310 V311 F316 H317 V318	Y299-F314 VanDerWaalsContact CB-CG 3.43Å; Y299-F314 HydrophobicContact CD1-CD1 4.44Å; Y299-F314 HydrophobicContact CG-CB 4.19Å; Y299-F314 HydrophobicContact CG-CD1 4.44Å; Y299-F314 HydrophobicContact CG-CG 4.27Å; T300-F314 VanDerWaalsContact C-CE2 3.5Å; T300-F314 WeakPolarHBondContact O-CE2 3.3Å; C301-F314 HydrophobicContact CB-CE2 4.31Å; F308-F314 HydrophobicContact CB-CB 4.11Å; F308-F314 HydrophobicContact CD2-CB 4.31Å; F308-F314 HydrophobicContact CD2-CD2 4.15Å; F308-F314 HydrophobicContact CG-CB 4.41Å; G310-F314 PolarHBondContact O-N 3.42Å; G310-F314 VanDerWaalsContact O-N 3.09Å; V311-F314 PolarHBondContact O-N 2.92Å; F314-F316 VanDerWaalsContact C-N 3.31Å; F314-F316 PolarHBondContact O-N 3.45Å; F314-H317 WeakPolarHBondContact O-CB 3.45Å; F314-H317 PolarHBondContact O-N 3.33Å; F314-H317 VanDerWaalsContact O-N 3.1Å; F314-V318 HydrophobicContact CD1-CG2 4.5Å; F314-V318 HydrophobicContact CD2-CG2 4.09Å; F314-V318 HydrophobicContact CE1-CG2 4.14Å; F314-V318 HydrophobicContact CE2-CG2 3.68Å; F314-V318 HydrophobicContact CG-CG2 4.48Å; F314-V318 HydrophobicContact CZ-CG2 3.72Å; F314-V318 WeakPolarHBondContact O-CG2 3.39Å; F314-V318 PolarHBondContact O-N 3Å
315	R	67.3	Low	68	Low	130 Å²	130	87.2 Å²	87.2	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-61.1	-38.1	178.5	-170.4	-177.4	-74.1	135.7	-9.3	111.9	V311 N312 K319	V311-R315 VanDerWaalsContact O-CB 3.23Å; V311-R315 WeakPolarHBondContact O-CB 3.34Å; V311-R315 PolarHBondContact O-N 3.31Å; N312-R315 PolarHBondContact O-N 2.92Å; R315-K319 WeakPolarHBondContact O-CB 3.28Å; R315-K319 VanDerWaalsContact O-CG 3.22Å; R315-K319 WeakPolarHBondContact O-CG 3.48Å; R315-K319 PolarHBondContact O-N 3.24Å
316	F	65.4	Low	68	Low	93 Å²	93	84.9 Å²	84.9	41%	0.408	42%	0.415	S	S	.	.	H	α-helix	trans	-69.2	-36.8	174.1	-71	-56.2	0	0	0	113	N312 Y313 F314 G320 T338	N312-F316 HydrophobicContact CB-CE2 4.29Å; N312-F316 WeakPolarHBondContact O-CD2 3.36Å; N312-F316 WeakPolarHBondContact O-CG 3.38Å; N312-F316 PolarHBondContact O-N 3.17Å; Y313-F316 PolarHBondContact O-N 3.43Å; F314-F316 VanDerWaalsContact C-N 3.31Å; F314-F316 PolarHBondContact O-N 3.45Å; F316-G320 PolarHBondContact O-N 3.12Å; F316-G320 VanDerWaalsContact O-N 3.16Å; F316-T338 HydrophobicContact CD1-CG2 3.87Å; F316-T338 HydrophobicContact CE1-CG2 4.12Å; F316-T338 HydrophobicContact CG-CG2 4.18Å
317	H	70.3	Confident	68	Low	35 Å²	35	81 Å²	81	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-67.7	-45.1	177.5	171.4	73.8	0	0	0	111.9	C301 C304 F308 Y313 F314 G320 H321	C301-H317 VanDerWaalsContact CB-CD2 3.5Å; C301-H317 WeakPolarHBondContact CB-CD2 3.29Å; C301-H317 WeakPolarHBondContact CB-NE2 3.33Å; C301-H317 PolarHBondContact SG-CD2 2.77Å; C301-H317 PolarHBondContact SG-NE2 3.18Å; C304-H317 PolarHBondContact SG-CE1 2.8Å; C304-H317 PolarHBondContact SG-NE2 3.25Å; F308-H317 HydrophobicContact CD2-CB 4.48Å; F308-H317 HydrophobicContact CE1-CB 4.12Å; F308-H317 HydrophobicContact CE2-CB 3.75Å; F308-H317 AromaticContact CE2-CD2 3.29Å; F308-H317 WeakPolarHBondContact CE2-CD2 3.26Å; F308-H317 AromaticContact CE2-CG 3.39Å; F308-H317 AromaticContact CE2-NE2 3.83Å; F308-H317 HydrophobicContact CZ-CB 3.54Å; F308-H317 AromaticContact CZ-CD2 3.63Å; F308-H317 AromaticContact CZ-CE1 3.97Å; F308-H317 AromaticContact CZ-CG 3.23Å; F308-H317 AromaticContact CZ-ND1 3.5Å; F308-H317 WeakPolarHBondContact CZ-ND1 3.22Å; Y313-H317 VanDerWaalsContact O-CB 3.3Å; Y313-H317 WeakPolarHBondContact O-CB 3.15Å; Y313-H317 PolarHBondContact O-N 3.41Å; F314-H317 WeakPolarHBondContact O-CB 3.45Å; F314-H317 PolarHBondContact O-N 3.33Å; F314-H317 VanDerWaalsContact O-N 3.1Å; H317-G320 WeakPolarHBondContact O-CA 3.37Å; H317-G320 PolarHBondContact O-N 3.26Å; H317-H321 AromaticContact CD2-NE2 3.79Å; H317-H321 AromaticContact CE1-CE1 4Å; H317-H321 AromaticContact CE1-NE2 3.27Å; H317-H321 PolarHBondContact CE1-NE2 3.17Å; H317-H321 VanDerWaalsContact CE1-NE2 3.27Å; H317-H321 AromaticContact NE2-CD2 3.7Å; H317-H321 AromaticContact NE2-NE2 2.97Å; H317-H321 PolarHBondContact NE2-NE2 2.98Å; H317-H321 PolarHBondContact O-N 2.72Å
318	V	66.9	Low	67.8	Low	29 Å²	29	83.8 Å²	83.8	18%	0.176	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-40.3	175.3	175.9	0	0	0	0	111.4	F314 G320 H321 L322	F314-V318 HydrophobicContact CD1-CG2 4.5Å; F314-V318 HydrophobicContact CD2-CG2 4.09Å; F314-V318 HydrophobicContact CE1-CG2 4.14Å; F314-V318 HydrophobicContact CE2-CG2 3.68Å; F314-V318 HydrophobicContact CG-CG2 4.48Å; F314-V318 HydrophobicContact CZ-CG2 3.72Å; F314-V318 WeakPolarHBondContact O-CG2 3.39Å; F314-V318 PolarHBondContact O-N 3Å; V318-G320 PolarHBondContact O-N 3.14Å; V318-G320 VanDerWaalsContact O-N 3.17Å; V318-H321 PolarHBondContact O-N 3.46Å; V318-L322 HydrophobicContact CG1-CD1 4.29Å; V318-L322 PolarHBondContact O-N 3.37Å
319	K	67.1	Low	67.4	Low	83 Å²	83	81.7 Å²	81.7	36%	0.361	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-24.8	170.7	-76.4	178.2	179.4	-167.2	0	113.2	R315 Y324	R315-K319 WeakPolarHBondContact O-CB 3.28Å; R315-K319 VanDerWaalsContact O-CG 3.22Å; R315-K319 WeakPolarHBondContact O-CG 3.48Å; R315-K319 PolarHBondContact O-N 3.24Å; K319-Y324 HydrophobicContact CD-CD1 4.45Å; K319-Y324 PolarHBondContact O-N 2.97Å; K319-Y324 VanDerWaalsContact O-N 3.1Å
320	G	63.3	Low	67.4	Low	28 Å²	28	79 Å²	79	29%	0.289	40%	0.396	S	S	.	.	H	α-helix	trans	-68.2	-38.6	172	0	0	0	0	0	114.1	F316 H317 V318 G323 L337	F316-G320 PolarHBondContact O-N 3.12Å; F316-G320 VanDerWaalsContact O-N 3.16Å; H317-G320 WeakPolarHBondContact O-CA 3.37Å; H317-G320 PolarHBondContact O-N 3.26Å; V318-G320 PolarHBondContact O-N 3.14Å; V318-G320 VanDerWaalsContact O-N 3.17Å; G320-G323 PolarHBondContact O-N 3.25Å; G320-L337 VanDerWaalsContact CA-CD2 3.47Å
321	H	67.6	Low	67	Low	80 Å²	80	83.4 Å²	83.4	37%	0.37	41%	0.414	S	S	.	.	H	α-helix	trans	-68.9	-35.7	176.1	-68.5	-59.9	0	0	0	112.2	C301 H303 C304 H317 V318 G323	C301-H321 PolarHBondContact SG-CD2 3.33Å; C301-H321 PolarHBondContact SG-NE2 3.27Å; C301-H321 VanDerWaalsContact SG-NE2 3.37Å; H303-H321 HydrophobicContact CB-CB 4.36Å; C304-H321 VanDerWaalsContact SG-CE1 3.59Å; C304-H321 PolarHBondContact SG-NE2 3.16Å; H317-H321 AromaticContact CD2-NE2 3.79Å; H317-H321 AromaticContact CE1-CE1 4Å; H317-H321 AromaticContact CE1-NE2 3.27Å; H317-H321 PolarHBondContact CE1-NE2 3.17Å; H317-H321 VanDerWaalsContact CE1-NE2 3.27Å; H317-H321 AromaticContact NE2-CD2 3.7Å; H317-H321 AromaticContact NE2-NE2 2.97Å; H317-H321 PolarHBondContact NE2-NE2 2.98Å; H317-H321 PolarHBondContact O-N 2.72Å; V318-H321 PolarHBondContact O-N 3.46Å; H321-G323 PolarHBondContact O-N 3.04Å
322	L	67.1	Low	67.1	Low	128 Å²	128	83.3 Å²	83.3	67%	0.67	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	5.8	177.4	-67.1	161.2	0	0	0	113.5	V318 Y324	V318-L322 HydrophobicContact CG1-CD1 4.29Å; V318-L322 PolarHBondContact O-N 3.37Å; L322-Y324 PolarHBondContact O-N 3.27Å
323	G	61	Low	67.5	Low	48 Å²	48	86.3 Å²	86.3	50%	0.495	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	6.6	-179	0	0	0	0	0	114.6	G320 H321 K325	G320-G323 PolarHBondContact O-N 3.25Å; H321-G323 PolarHBondContact O-N 3.04Å; G323-K325 PolarHBondContact O-N 3.37Å
324	Y	61.3	Low	67.6	Low	141 Å²	141	84.7 Å²	84.7	55%	0.553	42%	0.423	S	S	*	.			trans	-77.3	95.6	-172.8	-170.2	-98.4	0	0	0	111.1	K319 L322 P326 L337	K319-Y324 HydrophobicContact CD-CD1 4.45Å; K319-Y324 PolarHBondContact O-N 2.97Å; K319-Y324 VanDerWaalsContact O-N 3.1Å; L322-Y324 PolarHBondContact O-N 3.27Å; Y324-P326 HydrophobicContact CD1-CG 4.05Å; Y324-P326 HydrophobicContact CE1-CB 3.83Å; Y324-P326 HydrophobicContact CE1-CG 3.66Å; Y324-P326 VanDerWaalsContact O-CD 3.24Å; Y324-P326 WeakPolarHBondContact O-CD 3.49Å; Y324-L337 VanDerWaalsContact O-CD2 3.28Å; Y324-L337 WeakPolarHBondContact O-CD2 3.49Å
325	K	68.7	Low	67.9	Low	90 Å²	90	86.3 Å²	86.3	39%	0.391	43%	0.431	S	S	.	.			trans	-113.9	82	179.8	-66.1	177.7	-176.3	171.8	0	111	G323 F327 E335 F336 L337	G323-K325 PolarHBondContact O-N 3.37Å; K325-F327 PolarHBondContact O-N 3.29Å; K325-E335 HydrophobicContact CB-CB 3.56Å; K325-E335 HydrophobicContact CD-CB 3.89Å; K325-E335 HydrophobicContact CG-CB 4.39Å; K325-F336 CarbonylContact C-O 3.59Å; K325-F336 WeakPolarHBondContact CA-O 3.29Å; K325-L337 HydrophobicContact CG-CD2 3.99Å; K325-L337 HydrophobicContact CG-CG 4.05Å
326	P	67.4	Low	68.2	Low	61 Å²	61	81.9 Å²	81.9	40%	0.396	42%	0.415	S	S	.	.			trans	-71.2	-16.6	-171.2	26.2	-32.6	0	0	0	113.7	Y324	Y324-P326 HydrophobicContact CD1-CG 4.05Å; Y324-P326 HydrophobicContact CE1-CB 3.83Å; Y324-P326 HydrophobicContact CE1-CG 3.66Å; Y324-P326 VanDerWaalsContact O-CD 3.24Å; Y324-P326 WeakPolarHBondContact O-CD 3.49Å
327	F	69.1	Low	68.2	Low	83 Å²	83	79.9 Å²	79.9	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	98.4	-174.7	-62.5	-80.5	0	0	0	110.8	K325 E335 F336 T338 L342	K325-F327 PolarHBondContact O-N 3.29Å; F327-E335 CarbonylContact O-C 3.57Å; F327-F336 HydrophobicContact CB-CB 4.22Å; F327-F336 WeakPolarHBondContact CB-O 3.23Å; F327-F336 PolarHBondContact N-O 2.94Å; F327-F336 VanDerWaalsContact N-O 3.12Å; F327-F336 WeakPolarHBondContact O-CB 3.17Å; F327-F336 PolarHBondContact O-N 3.44Å; F327-T338 VanDerWaalsContact CD2-CA 3.45Å; F327-L342 HydrophobicContact CB-CB 3.9Å; F327-L342 HydrophobicContact CB-CD2 3.8Å; F327-L342 HydrophobicContact CB-CG 4.44Å; F327-L342 HydrophobicContact CD1-CD2 4.38Å
328	K	71.9	Confident	68.1	Low	124 Å²	124	79.5 Å²	79.5	54%	0.539	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.2	178.1	-49.8	-163.4	-172.1	-159.5	0	111.4	E335	K328-E335 HydrophobicContact CD-CG 4.06Å; K328-E335 WeakPolarHBondContact CD-OE1 3.5Å; K328-E335 WeakPolarHBondContact CE-OE1 3.44Å; K328-E335 HydrophobicContact CG-CB 4.47Å; K328-E335 HydrophobicContact CG-CG 3.96Å; K328-E335 IonicContact NZ-OE1 2.63Å; K328-E335 PolarHBondContact NZ-OE1 3.41Å
329	C	69.6	Low	68.1	Low	2 Å²	2	79.5 Å²	79.5	1%	0.014	42%	0.415	C	S	.	.			trans	-73.4	121.8	171.7	167.9	0	0	0	0	110.1	L331 C332 Q333 K334 F336 L342 H345 M346 H349	C329-L331 PolarHBondContact O-N 3.17Å; C329-L331 PolarHBondContact SG-N 3.43Å; C329-L331 VanDerWaalsContact SG-N 3.41Å; C329-C332 PolarHBondContact SG-N 3.44Å; C329-C332 PolarHBondContact SG-SG 3.38Å; C329-Q333 WeakPolarHBondContact O-CA 3.39Å; C329-Q333 PolarHBondContact O-N 3.22Å; C329-K334 HydrophobicContact CB-CB 4.42Å; C329-K334 VanDerWaalsContact CB-O 3.26Å; C329-K334 WeakPolarHBondContact CB-O 3.31Å; C329-K334 PolarHBondContact N-O 3.26Å; C329-F336 HydrophobicContact CB-CE2 3.99Å; C329-L342 HydrophobicContact CB-CD1 3.89Å; C329-H345 PolarHBondContact SG-NE2 3.25Å; C329-M346 HydrophobicContact CB-CE 3.78Å; C329-M346 WeakPolarHBondContact SG-CE 2.85Å; C329-H349 PolarHBondContact SG-NE2 3.05Å
330	T	71.1	Confident	68.4	Low	124 Å²	124	83.3 Å²	83.3	76%	0.761	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-19	179.8	51.2	0	0	0	0	113.5
331	L	66.5	Low	68.7	Low	110 Å²	110	85.5 Å²	85.5	58%	0.576	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-32	-173.3	-62.8	174.2	0	0	0	114	C329 H349	C329-L331 PolarHBondContact O-N 3.17Å; C329-L331 PolarHBondContact SG-N 3.43Å; C329-L331 VanDerWaalsContact SG-N 3.41Å; L331-H349 HydrophobicContact CB-CB 4.42Å; L331-H349 HydrophobicContact CD1-CB 3.33Å; L331-H349 HydrophobicContact CG-CB 4.49Å
332	C	70	Confident	68.8	Low	48 Å²	48	83.1 Å²	83.1	32%	0.324	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	13.5	178.3	79.2	0	0	0	0	113.8	C329 K334 H345 H349	C329-C332 PolarHBondContact SG-N 3.44Å; C329-C332 PolarHBondContact SG-SG 3.38Å; C332-K334 PolarHBondContact O-N 2.85Å; C332-K334 VanDerWaalsContact SG-CG 3.58Å; C332-H345 VanDerWaalsContact SG-CE1 3.55Å; C332-H345 PolarHBondContact SG-NE2 3.33Å; C332-H349 VanDerWaalsContact SG-CE1 3.55Å; C332-H349 PolarHBondContact SG-NE2 3.4Å
333	Q	72.9	Confident	69	Low	163 Å²	163	83.9 Å²	83.9	76%	0.762	42%	0.421	S	S	*	.			trans	57.8	10.7	173.4	-58.5	179.9	-0.1	0	0	115.6	C329	C329-Q333 WeakPolarHBondContact O-CA 3.39Å; C329-Q333 PolarHBondContact O-N 3.22Å
334	K	67.1	Low	69.3	Low	131 Å²	131	87.4 Å²	87.4	57%	0.57	42%	0.422	S	S	*	.			trans	-68.9	134.8	175.1	-73.2	-177.9	-176.3	-175.5	0	110.4	C329 C332 F336	C329-K334 HydrophobicContact CB-CB 4.42Å; C329-K334 VanDerWaalsContact CB-O 3.26Å; C329-K334 WeakPolarHBondContact CB-O 3.31Å; C329-K334 PolarHBondContact N-O 3.26Å; C332-K334 PolarHBondContact O-N 2.85Å; C332-K334 VanDerWaalsContact SG-CG 3.58Å; K334-F336 HydrophobicContact CB-CE2 3.73Å; K334-F336 HydrophobicContact CB-CZ 3.83Å; K334-F336 WeakPolarHBondContact O-CD2 3.23Å; K334-F336 WeakPolarHBondContact O-CE2 3.3Å
335	E	74.6	Confident	69.7	Low	81 Å²	81	81.9 Å²	81.9	38%	0.379	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.2	-177.4	-47.1	-172.5	151.9	0	0	111.3	K325 F327 K328	K325-E335 HydrophobicContact CB-CB 3.56Å; K325-E335 HydrophobicContact CD-CB 3.89Å; K325-E335 HydrophobicContact CG-CB 4.39Å; F327-E335 CarbonylContact O-C 3.57Å; K328-E335 HydrophobicContact CD-CG 4.06Å; K328-E335 WeakPolarHBondContact CD-OE1 3.5Å; K328-E335 WeakPolarHBondContact CE-OE1 3.44Å; K328-E335 HydrophobicContact CG-CB 4.47Å; K328-E335 HydrophobicContact CG-CG 3.96Å; K328-E335 IonicContact NZ-OE1 2.63Å; K328-E335 PolarHBondContact NZ-OE1 3.41Å
336	F	73.2	Confident	69.4	Low	38 Å²	38	79.5 Å²	79.5	17%	0.167	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.5	-176	-61.1	-85.1	0	0	0	111.1	K325 F327 C329 K334 L341 L342 H345	K325-F336 CarbonylContact C-O 3.59Å; K325-F336 WeakPolarHBondContact CA-O 3.29Å; F327-F336 HydrophobicContact CB-CB 4.22Å; F327-F336 WeakPolarHBondContact CB-O 3.23Å; F327-F336 PolarHBondContact N-O 2.94Å; F327-F336 VanDerWaalsContact N-O 3.12Å; F327-F336 WeakPolarHBondContact O-CB 3.17Å; F327-F336 PolarHBondContact O-N 3.44Å; C329-F336 HydrophobicContact CB-CE2 3.99Å; K334-F336 HydrophobicContact CB-CE2 3.73Å; K334-F336 HydrophobicContact CB-CZ 3.83Å; K334-F336 WeakPolarHBondContact O-CD2 3.23Å; K334-F336 WeakPolarHBondContact O-CE2 3.3Å; F336-L341 HydrophobicContact CB-CB 4.26Å; F336-L341 HydrophobicContact CD1-CB 4.05Å; F336-L341 HydrophobicContact CG-CB 4.48Å; F336-L342 HydrophobicContact CB-CB 4.19Å; F336-L342 HydrophobicContact CD2-CB 4.11Å; F336-L342 HydrophobicContact CD2-CD1 3.77Å; F336-L342 HydrophobicContact CE2-CD1 4.12Å; F336-L342 HydrophobicContact CG-CB 4.29Å; F336-H345 HydrophobicContact CD1-CB 4.47Å; F336-H345 HydrophobicContact CE1-CB 3.75Å; F336-H345 AromaticContact CE1-CG 3.87Å; F336-H345 HydrophobicContact CE2-CB 3.82Å; F336-H345 AromaticContact CE2-CD2 3.21Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.32Å; F336-H345 AromaticContact CE2-CG 3.45Å; F336-H345 VanDerWaalsContact CE2-CG 3.45Å; F336-H345 AromaticContact CE2-NE2 3.77Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.31Å; F336-H345 WeakPolarHBondContact CZ-CD2 3.26Å; F336-H345 AromaticContact CZ-CE1 3.79Å; F336-H345 AromaticContact CZ-CG 3.05Å; F336-H345 AromaticContact CZ-ND1 3.4Å; F336-H345 WeakPolarHBondContact CZ-ND1 3.23Å; F336-H345 AromaticContact CZ-NE2 3.74Å
337	L	65.3	Low	69.4	Low	50 Å²	50	82.1 Å²	82.1	26%	0.262	40%	0.399	S	S	.	.	S	Bend	trans	-73.9	-28.7	-179.9	-73.6	159.1	0	0	0	113	G320 Y324 K325	G320-L337 VanDerWaalsContact CA-CD2 3.47Å; Y324-L337 VanDerWaalsContact O-CD2 3.28Å; Y324-L337 WeakPolarHBondContact O-CD2 3.49Å; K325-L337 HydrophobicContact CG-CD2 3.99Å; K325-L337 HydrophobicContact CG-CG 4.05Å
338	T	68.8	Low	69.1	Low	27 Å²	27	81.3 Å²	81.3	17%	0.166	40%	0.401	C	S	.	.	S	Bend	trans	-137	148.9	-176.7	64.8	0	0	0	0	111.7	F316 F327 Y340 L341 L342	F316-T338 HydrophobicContact CD1-CG2 3.87Å; F316-T338 HydrophobicContact CE1-CG2 4.12Å; F316-T338 HydrophobicContact CG-CG2 4.18Å; F327-T338 VanDerWaalsContact CD2-CA 3.45Å; T338-Y340 PolarHBondContact O-N 2.75Å; T338-L341 PolarHBondContact O-N 2.9Å; T338-L341 VanDerWaalsContact O-N 3.12Å; T338-L341 VanDerWaalsContact OG1-CG 3.29Å; T338-L341 WeakPolarHBondContact OG1-CG 3.44Å; T338-L341 PolarHBondContact OG1-N 3.07Å; T338-L342 PolarHBondContact O-N 3.19Å
339	G	67.6	Low	68.4	Low	30 Å²	30	78.5 Å²	78.5	31%	0.309	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-26.6	174	0	0	0	0	0	112.9	K343	G339-K343 VanDerWaalsContact O-CB 3.3Å; G339-K343 WeakPolarHBondContact O-CB 3.39Å; G339-K343 PolarHBondContact O-N 3.39Å
340	Y	71.6	Confident	68	Low	163 Å²	163	82.9 Å²	82.9	64%	0.639	42%	0.416	S	S	*	.	H	α-helix	trans	-65.9	-46	172.2	174.2	-100.2	0	0	0	112.1	T338 K343 K344	T338-Y340 PolarHBondContact O-N 2.75Å; Y340-K343 PolarHBondContact O-N 3.17Å; Y340-K344 PolarHBondContact O-N 3.41Å
341	L	70	Confident	67.2	Low	74 Å²	74	79.1 Å²	79.1	39%	0.387	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-39	176.8	-71.1	172.6	0	0	0	111.5	F336 T338 K344 H345	F336-L341 HydrophobicContact CB-CB 4.26Å; F336-L341 HydrophobicContact CD1-CB 4.05Å; F336-L341 HydrophobicContact CG-CB 4.48Å; T338-L341 PolarHBondContact O-N 2.9Å; T338-L341 VanDerWaalsContact O-N 3.12Å; T338-L341 VanDerWaalsContact OG1-CG 3.29Å; T338-L341 WeakPolarHBondContact OG1-CG 3.44Å; T338-L341 PolarHBondContact OG1-N 3.07Å; L341-K344 PolarHBondContact O-N 2.99Å; L341-H345 VanDerWaalsContact O-CB 3.26Å; L341-H345 WeakPolarHBondContact O-CB 3.5Å; L341-H345 PolarHBondContact O-N 3.01Å
342	L	70.6	Confident	66.6	Low	30 Å²	30	80.7 Å²	80.7	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-45.1	171.3	174.6	61.1	0	0	0	110.8	F327 C329 F336 T338 K344 H345 M346	F327-L342 HydrophobicContact CB-CB 3.9Å; F327-L342 HydrophobicContact CB-CD2 3.8Å; F327-L342 HydrophobicContact CB-CG 4.44Å; F327-L342 HydrophobicContact CD1-CD2 4.38Å; C329-L342 HydrophobicContact CB-CD1 3.89Å; F336-L342 HydrophobicContact CB-CB 4.19Å; F336-L342 HydrophobicContact CD2-CB 4.11Å; F336-L342 HydrophobicContact CD2-CD1 3.77Å; F336-L342 HydrophobicContact CE2-CD1 4.12Å; F336-L342 HydrophobicContact CG-CB 4.29Å; T338-L342 PolarHBondContact O-N 3.19Å; L342-K344 PolarHBondContact O-N 2.95Å; L342-H345 CarbonylContact O-C 3.38Å; L342-H345 WeakPolarHBondContact O-CA 3.38Å; L342-H345 WeakPolarHBondContact O-CB 3.48Å; L342-H345 PolarHBondContact O-N 2.76Å; L342-H345 VanDerWaalsContact O-N 3.12Å; L342-M346 HydrophobicContact CD1-CE 3.98Å; L342-M346 HydrophobicContact CD1-CG 4.05Å; L342-M346 HydrophobicContact CD1-SD 4.48Å; L342-M346 HydrophobicContact CG-CG 4.21Å; L342-M346 WeakPolarHBondContact O-CB 3.17Å; L342-M346 WeakPolarHBondContact O-CG 3.43Å; L342-M346 PolarHBondContact O-N 2.93Å
343	K	70.6	Confident	65.9	Low	144 Å²	144	85.2 Å²	85.2	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-60.3	-45.5	177.1	-174.4	177.2	179.8	178.5	0	112	G339 Y340 H345 M346 E347	G339-K343 VanDerWaalsContact O-CB 3.3Å; G339-K343 WeakPolarHBondContact O-CB 3.39Å; G339-K343 PolarHBondContact O-N 3.39Å; Y340-K343 PolarHBondContact O-N 3.17Å; K343-H345 VanDerWaalsContact C-N 3.27Å; K343-H345 PolarHBondContact O-N 2.79Å; K343-M346 WeakPolarHBondContact O-CB 3.21Å; K343-M346 PolarHBondContact O-N 3.43Å; K343-M346 VanDerWaalsContact O-N 3.16Å; K343-E347 PolarHBondContact O-N 3.4Å; K343-E347 VanDerWaalsContact O-N 3.1Å
344	K	68.5	Low	65.2	Low	121 Å²	121	85.8 Å²	85.8	53%	0.526	41%	0.405	S	S	.	.	H	α-helix	trans	-63.8	-33.4	174.4	-170.8	178.4	-179.7	179.7	0	112.2	Y340 L341 L342 E347	Y340-K344 PolarHBondContact O-N 3.41Å; L341-K344 PolarHBondContact O-N 2.99Å; L342-K344 PolarHBondContact O-N 2.95Å; K344-E347 WeakPolarHBondContact O-CB 3.44Å
345	H	68.9	Low	64.8	Low	25 Å²	25	84 Å²	84	12%	0.116	40%	0.395	C	S	.	.	H	α-helix	trans	-73.8	-34.7	172.8	174.7	73.3	0	0	0	112.5	C329 C332 F336 L341 L342 K343 E347 V348 H349	C329-H345 PolarHBondContact SG-NE2 3.25Å; C332-H345 VanDerWaalsContact SG-CE1 3.55Å; C332-H345 PolarHBondContact SG-NE2 3.33Å; F336-H345 HydrophobicContact CD1-CB 4.47Å; F336-H345 HydrophobicContact CE1-CB 3.75Å; F336-H345 AromaticContact CE1-CG 3.87Å; F336-H345 HydrophobicContact CE2-CB 3.82Å; F336-H345 AromaticContact CE2-CD2 3.21Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.32Å; F336-H345 AromaticContact CE2-CG 3.45Å; F336-H345 VanDerWaalsContact CE2-CG 3.45Å; F336-H345 AromaticContact CE2-NE2 3.77Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.31Å; F336-H345 WeakPolarHBondContact CZ-CD2 3.26Å; F336-H345 AromaticContact CZ-CE1 3.79Å; F336-H345 AromaticContact CZ-CG 3.05Å; F336-H345 AromaticContact CZ-ND1 3.4Å; F336-H345 WeakPolarHBondContact CZ-ND1 3.23Å; F336-H345 AromaticContact CZ-NE2 3.74Å; L341-H345 VanDerWaalsContact O-CB 3.26Å; L341-H345 WeakPolarHBondContact O-CB 3.5Å; L341-H345 PolarHBondContact O-N 3.01Å; L342-H345 CarbonylContact O-C 3.38Å; L342-H345 WeakPolarHBondContact O-CA 3.38Å; L342-H345 WeakPolarHBondContact O-CB 3.48Å; L342-H345 PolarHBondContact O-N 2.76Å; L342-H345 VanDerWaalsContact O-N 3.12Å; K343-H345 VanDerWaalsContact C-N 3.27Å; K343-H345 PolarHBondContact O-N 2.79Å; H345-E347 PolarHBondContact O-N 2.94Å; H345-V348 WeakPolarHBondContact O-CA 3.18Å; H345-V348 WeakPolarHBondContact O-CB 3.35Å; H345-V348 PolarHBondContact O-N 3.1Å; H345-H349 AromaticContact CD2-CD2 3.91Å; H345-H349 AromaticContact CD2-NE2 3.74Å; H345-H349 AromaticContact CE1-NE2 3.37Å; H345-H349 PolarHBondContact CE1-NE2 2.84Å; H345-H349 AromaticContact NE2-CD2 3.56Å; H345-H349 AromaticContact NE2-NE2 2.92Å; H345-H349 PolarHBondContact NE2-NE2 2.86Å
346	M	62.4	Low	64.2	Low	41 Å²	41	87.6 Å²	87.6	20%	0.202	41%	0.409	C	S	.	.	H	α-helix	trans	-62	-31.5	172.9	-71.3	-72.2	94.3	0	0	111.2	C329 L342 K343 V348 H349 V350	C329-M346 HydrophobicContact CB-CE 3.78Å; C329-M346 WeakPolarHBondContact SG-CE 2.85Å; L342-M346 HydrophobicContact CD1-CE 3.98Å; L342-M346 HydrophobicContact CD1-CG 4.05Å; L342-M346 HydrophobicContact CD1-SD 4.48Å; L342-M346 HydrophobicContact CG-CG 4.21Å; L342-M346 WeakPolarHBondContact O-CB 3.17Å; L342-M346 WeakPolarHBondContact O-CG 3.43Å; L342-M346 PolarHBondContact O-N 2.93Å; K343-M346 WeakPolarHBondContact O-CB 3.21Å; K343-M346 PolarHBondContact O-N 3.43Å; K343-M346 VanDerWaalsContact O-N 3.16Å; M346-V348 PolarHBondContact O-N 3.4Å; M346-H349 VanDerWaalsContact CE-CD2 3.48Å; M346-H349 WeakPolarHBondContact CE-CD2 3.49Å; M346-H349 PolarHBondContact O-N 2.99Å; M346-V350 WeakPolarHBondContact O-CB 3.5Å; M346-V350 WeakPolarHBondContact O-CG2 3.5Å; M346-V350 PolarHBondContact O-N 3.3Å
347	E	67.1	Low	64.1	Low	116 Å²	116	85.9 Å²	85.9	54%	0.542	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-18.9	170.4	-65	167.6	-173.1	0	0	113.4	K343 K344 H345 S351	K343-E347 PolarHBondContact O-N 3.4Å; K343-E347 VanDerWaalsContact O-N 3.1Å; K344-E347 WeakPolarHBondContact O-CB 3.44Å; H345-E347 PolarHBondContact O-N 2.94Å; E347-S351 PolarHBondContact O-N 2.97Å
348	V	63	Low	64.2	Low	65 Å²	65	87 Å²	87	39%	0.394	43%	0.426	S	S	.	.	H	α-helix	trans	-75	-32.6	171.9	178.2	0	0	0	0	111.4	H345 M346 S351	H345-V348 WeakPolarHBondContact O-CA 3.18Å; H345-V348 WeakPolarHBondContact O-CB 3.35Å; H345-V348 PolarHBondContact O-N 3.1Å; M346-V348 PolarHBondContact O-N 3.4Å; V348-S351 PolarHBondContact O-OG 3.22Å; V348-S351 VanDerWaalsContact O-OG 3.12Å
349	H	57.8	Low	64.1	Low	66 Å²	66	91.6 Å²	91.6	31%	0.306	45%	0.446	S	S	.	.	H	α-helix	trans	-88.7	-38.9	179.5	-65.3	-66.7	0	0	0	112.5	C329 L331 C332 H345 M346 S351	C329-H349 PolarHBondContact SG-NE2 3.05Å; L331-H349 HydrophobicContact CB-CB 4.42Å; L331-H349 HydrophobicContact CD1-CB 3.33Å; L331-H349 HydrophobicContact CG-CB 4.49Å; C332-H349 VanDerWaalsContact SG-CE1 3.55Å; C332-H349 PolarHBondContact SG-NE2 3.4Å; H345-H349 AromaticContact CD2-CD2 3.91Å; H345-H349 AromaticContact CD2-NE2 3.74Å; H345-H349 AromaticContact CE1-NE2 3.37Å; H345-H349 PolarHBondContact CE1-NE2 2.84Å; H345-H349 AromaticContact NE2-CD2 3.56Å; H345-H349 AromaticContact NE2-NE2 2.92Å; H345-H349 PolarHBondContact NE2-NE2 2.86Å; M346-H349 VanDerWaalsContact CE-CD2 3.48Å; M346-H349 WeakPolarHBondContact CE-CD2 3.49Å; M346-H349 PolarHBondContact O-N 2.99Å; H349-S351 PolarHBondContact O-N 3.35Å; H349-S351 VanDerWaalsContact O-N 3.11Å
350	V	60	Low	64.1	Low	94 Å²	94	92.7 Å²	92.7	57%	0.57	45%	0.448	S	S	*	.	S	Bend	trans	-79.9	22.7	173.4	-173	0	0	0	0	110.3	M346 E352	M346-V350 WeakPolarHBondContact O-CB 3.5Å; M346-V350 WeakPolarHBondContact O-CG2 3.5Å; M346-V350 PolarHBondContact O-N 3.3Å; V350-E352 PolarHBondContact O-N 3.49Å
351	S	54.9	Low	63.7	Low	45 Å²	45	87.1 Å²	87.1	32%	0.315	44%	0.44	S	S	.	.			trans	-73.1	69.5	-177.7	67.4	0	0	0	0	111.7	E347 V348 H349 R353	E347-S351 PolarHBondContact O-N 2.97Å; V348-S351 PolarHBondContact O-OG 3.22Å; V348-S351 VanDerWaalsContact O-OG 3.12Å; H349-S351 PolarHBondContact O-N 3.35Å; H349-S351 VanDerWaalsContact O-N 3.11Å; S351-R353 PolarHBondContact O-N 2.86Å
352	E	53.1	Low	63.7	Low	143 Å²	143	89.2 Å²	89.2	67%	0.668	45%	0.446	S	S	*	.			trans	-55.7	98.3	135.3	-71.3	-179.9	174.6	0	0	105.6	V350 R354	V350-E352 PolarHBondContact O-N 3.49Å; E352-R354 HydrophobicContact CB-CG 4.11Å; E352-R354 WeakPolarHBondContact O-CG 3.49Å; E352-R354 PolarHBondContact O-N 3.44Å; E352-R354 IonicContact OE2-NH1 3.34Å
353	R	56.1	Low	63.5	Low	142 Å²	142	91.9 Å²	91.9	54%	0.536	46%	0.46	S	S	.	.			trans	-65	87.1	172.3	-63.8	169.6	177.1	178.7	-0.1	106.2	S351 Y355 L363 Y364	S351-R353 PolarHBondContact O-N 2.86Å; R353-Y355 VanDerWaalsContact C-N 3.32Å; R353-Y355 PolarHBondContact O-N 3.5Å; R353-L363 HydrophobicContact CB-CB 3.27Å; R353-L363 HydrophobicContact CB-CD1 4.27Å; R353-L363 HydrophobicContact CB-CG 4.36Å; R353-L363 WeakPolarHBondContact CD-O 3.29Å; R353-L363 HydrophobicContact CG-CB 4.24Å; R353-L363 WeakPolarHBondContact O-CB 3.21Å; R353-L363 WeakPolarHBondContact O-CD2 3.47Å; R353-Y364 CarbonylContact C-O 3.52Å
354	R	57.8	Low	63.5	Low	175 Å²	175	87.4 Å²	87.4	66%	0.66	44%	0.44	S	S	*	.			trans	-73.2	-22.6	-168.1	-77.3	-166.3	-81.4	-106.4	3.2	114	E352	E352-R354 HydrophobicContact CB-CG 4.11Å; E352-R354 WeakPolarHBondContact O-CG 3.49Å; E352-R354 PolarHBondContact O-N 3.44Å; E352-R354 IonicContact OE2-NH1 3.34Å
355	Y	59.3	Low	63.3	Low	94 Å²	94	86.6 Å²	86.6	37%	0.369	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106	-172.1	-55	-75.5	0	0	0	110.2	R353 L363 Y364 I367 V370	R353-Y355 VanDerWaalsContact C-N 3.32Å; R353-Y355 PolarHBondContact O-N 3.5Å; Y355-L363 CarbonylContact O-C 3.58Å; Y355-L363 WeakPolarHBondContact O-CA 3.46Å; Y355-Y364 PolarHBondContact N-O 2.88Å; Y355-Y364 PolarHBondContact O-N 3.42Å; Y355-I367 HydrophobicContact CD1-CD1 4.24Å; Y355-I367 HydrophobicContact CD1-CG1 3.46Å; Y355-I367 VanDerWaalsContact CD1-CG1 3.46Å; Y355-I367 HydrophobicContact CD2-CG1 4.36Å; Y355-I367 HydrophobicContact CE1-CD1 3.66Å; Y355-I367 HydrophobicContact CE1-CG1 3.3Å; Y355-I367 HydrophobicContact CE2-CG1 4.23Å; Y355-I367 HydrophobicContact CG-CG1 3.99Å; Y355-V370 VanDerWaalsContact CB-CG2 3.41Å; Y355-V370 WeakPolarHBondContact O-CG2 3.44Å
356	K	61.1	Low	63.2	Low	157 Å²	157	88.3 Å²	88.3	68%	0.683	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.8	176	63	-179.4	-178.4	175.6	0	111.2	K362 L363	K356-K362 CarbonylContact C-O 3.59Å; K356-L363 HydrophobicContact CB-CD2 3.68Å
357	C	71.7	Confident	63.5	Low	2 Å²	2	90.8 Å²	90.8	1%	0.014	46%	0.462	C	S	.	.			trans	-67.3	130.7	159.8	175.1	0	0	0	0	108.6	E359 C360 G361 K362 Y364 M374	C357-E359 VanDerWaalsContact C-N 3.26Å; C357-E359 PolarHBondContact O-N 3.21Å; C357-E359 PolarHBondContact SG-N 3.49Å; C357-E359 VanDerWaalsContact SG-N 3.41Å; C357-C360 PolarHBondContact SG-N 2.85Å; C357-C360 VanDerWaalsContact SG-N 3.4Å; C357-C360 VanDerWaalsContact SG-SG 3.68Å; C357-G361 VanDerWaalsContact O-CA 3.3Å; C357-G361 WeakPolarHBondContact O-CA 3.25Å; C357-G361 PolarHBondContact O-N 3.02Å; C357-G361 VanDerWaalsContact O-N 3.13Å; C357-K362 HydrophobicContact CB-CB 4.49Å; C357-K362 PolarHBondContact N-O 2.89Å; C357-Y364 HydrophobicContact CB-CE2 4.29Å; C357-M374 HydrophobicContact CB-SD 4.34Å; C357-M374 PolarHBondContact SG-SD 3.03Å
358	G	66.9	Low	63.9	Low	74 Å²	74	87.3 Å²	87.3	76%	0.763	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-27.2	178.3	0	0	0	0	0	113.5
359	E	67.7	Low	64.4	Low	123 Å²	123	88.7 Å²	88.7	58%	0.575	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-46.3	-173.2	-71	-179.4	-139.4	0	0	114	C357 M374 H377	C357-E359 VanDerWaalsContact C-N 3.26Å; C357-E359 PolarHBondContact O-N 3.21Å; C357-E359 PolarHBondContact SG-N 3.49Å; C357-E359 VanDerWaalsContact SG-N 3.41Å; E359-M374 HydrophobicContact CG-CE 4.04Å; E359-M374 VanDerWaalsContact OE1-CE 3.29Å; E359-M374 WeakPolarHBondContact OE1-CE 3.31Å; E359-H377 WeakPolarHBondContact OE2-CB 3.39Å; E359-H377 IonicContact OE2-CE1 3.92Å; E359-H377 IonicContact OE2-CG 3.82Å; E359-H377 IonicContact OE2-ND1 3.91Å; E359-H377 PolarHBondContact OE2-ND1 3.27Å
360	C	67.8	Low	65.1	Low	52 Å²	52	86.4 Å²	86.4	35%	0.351	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	4.7	-179.7	78	0	0	0	0	114.6	C357 K362 H373 H377	C357-C360 PolarHBondContact SG-N 2.85Å; C357-C360 VanDerWaalsContact SG-N 3.4Å; C357-C360 VanDerWaalsContact SG-SG 3.68Å; C360-K362 PolarHBondContact O-N 3.14Å; C360-K362 VanDerWaalsContact SG-CB 3.53Å; C360-K362 WeakPolarHBondContact SG-CD 3.47Å; C360-K362 WeakPolarHBondContact SG-CG 3.46Å; C360-H373 PolarHBondContact SG-NE2 3.15Å; C360-H377 PolarHBondContact SG-NE2 3.03Å; C360-H377 VanDerWaalsContact SG-NE2 3.4Å
361	G	62.8	Low	65.8	Low	47 Å²	47	89.7 Å²	89.7	49%	0.485	45%	0.451	S	S	.	.			trans	65.5	5.1	178.8	0	0	0	0	0	115.6	C357 L363	C357-G361 VanDerWaalsContact O-CA 3.3Å; C357-G361 WeakPolarHBondContact O-CA 3.25Å; C357-G361 PolarHBondContact O-N 3.02Å; C357-G361 VanDerWaalsContact O-N 3.13Å; G361-L363 PolarHBondContact O-N 3.47Å
362	K	69.2	Low	66.6	Low	118 Å²	118	91.5 Å²	91.5	51%	0.513	46%	0.455	S	S	.	.			trans	-65.6	136.7	179.1	-77.4	173.8	-167.7	162.4	0	110	K356 C357 C360 Y364	K356-K362 CarbonylContact C-O 3.59Å; C357-K362 HydrophobicContact CB-CB 4.49Å; C357-K362 PolarHBondContact N-O 2.89Å; C360-K362 PolarHBondContact O-N 3.14Å; C360-K362 VanDerWaalsContact SG-CB 3.53Å; C360-K362 WeakPolarHBondContact SG-CD 3.47Å; C360-K362 WeakPolarHBondContact SG-CG 3.46Å; K362-Y364 HydrophobicContact CB-CD2 4.49Å; K362-Y364 HydrophobicContact CB-CE2 3.52Å; K362-Y364 WeakPolarHBondContact CD-OH 3.47Å; K362-Y364 WeakPolarHBondContact O-CD2 3.43Å; K362-Y364 VanDerWaalsContact O-CE2 3.32Å; K362-Y364 WeakPolarHBondContact O-CE2 3.08Å
363	L	66.1	Low	67.8	Low	85 Å²	85	85.9 Å²	85.9	45%	0.445	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.5	-177.1	-57.8	173.5	0	0	0	111.1	R353 Y355 K356 G361	R353-L363 HydrophobicContact CB-CB 3.27Å; R353-L363 HydrophobicContact CB-CD1 4.27Å; R353-L363 HydrophobicContact CB-CG 4.36Å; R353-L363 WeakPolarHBondContact CD-O 3.29Å; R353-L363 HydrophobicContact CG-CB 4.24Å; R353-L363 WeakPolarHBondContact O-CB 3.21Å; R353-L363 WeakPolarHBondContact O-CD2 3.47Å; Y355-L363 CarbonylContact O-C 3.58Å; Y355-L363 WeakPolarHBondContact O-CA 3.46Å; K356-L363 HydrophobicContact CB-CD2 3.68Å; G361-L363 PolarHBondContact O-N 3.47Å
364	Y	71.5	Confident	68.6	Low	51 Å²	51	81.7 Å²	81.7	20%	0.2	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.8	-178.3	-62.2	-94.5	0	0	0	111.9	R353 Y355 C357 K362 H369 V370 H373	R353-Y364 CarbonylContact C-O 3.52Å; Y355-Y364 PolarHBondContact N-O 2.88Å; Y355-Y364 PolarHBondContact O-N 3.42Å; C357-Y364 HydrophobicContact CB-CE2 4.29Å; K362-Y364 HydrophobicContact CB-CD2 4.49Å; K362-Y364 HydrophobicContact CB-CE2 3.52Å; K362-Y364 WeakPolarHBondContact CD-OH 3.47Å; K362-Y364 WeakPolarHBondContact O-CD2 3.43Å; K362-Y364 VanDerWaalsContact O-CE2 3.32Å; K362-Y364 WeakPolarHBondContact O-CE2 3.08Å; Y364-H369 HydrophobicContact CD1-CB 3.93Å; Y364-H369 HydrophobicContact CG-CB 4.38Å; Y364-V370 HydrophobicContact CD2-CB 4.49Å; Y364-V370 HydrophobicContact CD2-CG2 3.72Å; Y364-V370 HydrophobicContact CG-CG2 3.9Å; Y364-H373 HydrophobicContact CE1-CB 3.84Å; Y364-H373 HydrophobicContact CE2-CB 4.02Å; Y364-H373 AromaticContact CE2-CD2 3.22Å; Y364-H373 WeakPolarHBondContact CE2-CD2 3.43Å; Y364-H373 AromaticContact CE2-CG 3.68Å; Y364-H373 AromaticContact CE2-NE2 3.87Å; Y364-H373 AromaticContact CZ-CD2 3.3Å; Y364-H373 AromaticContact CZ-CG 3.26Å; Y364-H373 AromaticContact CZ-ND1 3.88Å; Y364-H373 AromaticContact CZ-NE2 3.87Å; Y364-H373 PolarHBondContact OH-CD2 3.46Å; Y364-H373 PolarHBondContact OH-CE1 3.05Å; Y364-H373 VanDerWaalsContact OH-CE1 3.24Å; Y364-H373 PolarHBondContact OH-ND1 3.09Å; Y364-H373 PolarHBondContact OH-NE2 3.34Å
365	K	63.4	Low	69.3	Low	103 Å²	103	76 Å²	76	45%	0.448	39%	0.394	S	S	.	.	S	Bend	trans	-77.7	-28.4	-177.8	-65.1	-176.7	178	-178	0	113.4
366	T	68.3	Low	69.9	Low	62 Å²	62	74.2 Å²	74.2	38%	0.38	40%	0.399	S	S	.	.	S	Bend	trans	-139.8	154.5	-180	68.5	0	0	0	0	111.1	G368 H369 V370	T366-G368 PolarHBondContact O-N 3.14Å; T366-H369 PolarHBondContact O-N 2.83Å; T366-H369 PolarHBondContact OG1-CE1 3.05Å; T366-H369 PolarHBondContact OG1-N 2.82Å; T366-H369 PolarHBondContact OG1-ND1 3.43Å; T366-V370 PolarHBondContact O-N 2.83Å; T366-V370 VanDerWaalsContact O-N 3.16Å
367	I	68.6	Low	70.4	Confident	93 Å²	93	69.6 Å²	69.6	48%	0.477	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-35.2	175	-60.5	169.6	0	0	0	111.1	Y355 H369 V370 R371	Y355-I367 HydrophobicContact CD1-CD1 4.24Å; Y355-I367 HydrophobicContact CD1-CG1 3.46Å; Y355-I367 VanDerWaalsContact CD1-CG1 3.46Å; Y355-I367 HydrophobicContact CD2-CG1 4.36Å; Y355-I367 HydrophobicContact CE1-CD1 3.66Å; Y355-I367 HydrophobicContact CE1-CG1 3.3Å; Y355-I367 HydrophobicContact CE2-CG1 4.23Å; Y355-I367 HydrophobicContact CG-CG1 3.99Å; I367-H369 VanDerWaalsContact C-N 3.35Å; I367-H369 PolarHBondContact O-N 3.2Å; I367-V370 PolarHBondContact O-N 3.13Å; I367-R371 WeakPolarHBondContact O-CB 3.34Å; I367-R371 PolarHBondContact O-N 3.47Å
368	G	73.9	Confident	70.2	Confident	42 Å²	42	71.2 Å²	71.2	43%	0.433	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-41.8	176.6	0	0	0	0	0	113	T366 R371 E372	T366-G368 PolarHBondContact O-N 3.14Å; G368-R371 PolarHBondContact O-N 2.87Å; G368-E372 PolarHBondContact O-N 3.11Å
369	H	75.1	Confident	70.3	Confident	94 Å²	94	74.4 Å²	74.4	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-71.9	-34.1	175.8	-64.1	120.3	0	0	0	112.4	Y364 T366 I367 H373	Y364-H369 HydrophobicContact CD1-CB 3.93Å; Y364-H369 HydrophobicContact CG-CB 4.38Å; T366-H369 PolarHBondContact O-N 2.83Å; T366-H369 PolarHBondContact OG1-CE1 3.05Å; T366-H369 PolarHBondContact OG1-N 2.82Å; T366-H369 PolarHBondContact OG1-ND1 3.43Å; I367-H369 VanDerWaalsContact C-N 3.35Å; I367-H369 PolarHBondContact O-N 3.2Å; H369-H373 WeakPolarHBondContact O-CB 3.47Å; H369-H373 PolarHBondContact O-N 2.63Å
370	V	72.1	Confident	70.6	Confident	18 Å²	18	74.9 Å²	74.9	11%	0.109	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-49.1	170.1	179.8	0	0	0	0	109.6	Y355 Y364 T366 I367 E372 H373 M374	Y355-V370 VanDerWaalsContact CB-CG2 3.41Å; Y355-V370 WeakPolarHBondContact O-CG2 3.44Å; Y364-V370 HydrophobicContact CD2-CB 4.49Å; Y364-V370 HydrophobicContact CD2-CG2 3.72Å; Y364-V370 HydrophobicContact CG-CG2 3.9Å; T366-V370 PolarHBondContact O-N 2.83Å; T366-V370 VanDerWaalsContact O-N 3.16Å; I367-V370 PolarHBondContact O-N 3.13Å; V370-E372 VanDerWaalsContact C-N 3.34Å; V370-E372 PolarHBondContact O-N 3.12Å; V370-H373 CarbonylContact O-C 3.58Å; V370-H373 WeakPolarHBondContact O-CA 3.3Å; V370-H373 WeakPolarHBondContact O-CB 3.34Å; V370-H373 PolarHBondContact O-N 3.25Å; V370-M374 HydrophobicContact CG1-CG 4.08Å; V370-M374 HydrophobicContact CG1-SD 4.39Å; V370-M374 VanDerWaalsContact O-CG 3.28Å; V370-M374 WeakPolarHBondContact O-CG 3.38Å; V370-M374 PolarHBondContact O-N 2.92Å
371	R	73.5	Confident	71.1	Confident	164 Å²	164	77.4 Å²	77.4	62%	0.619	40%	0.395	S	S	*	.	H	α-helix	trans	-60.3	-41.9	-179.9	-171.5	-177.1	-64.9	154.1	-2.2	112.4	I367 G368 H373 M374 R375	I367-R371 WeakPolarHBondContact O-CB 3.34Å; I367-R371 PolarHBondContact O-N 3.47Å; G368-R371 PolarHBondContact O-N 2.87Å; R371-H373 VanDerWaalsContact C-N 3.33Å; R371-M374 PolarHBondContact O-N 3.06Å; R371-R375 PolarHBondContact O-N 3.23Å
372	E	72.8	Confident	71.9	Confident	83 Å²	83	78.5 Å²	78.5	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-40.7	173.6	179.8	172.6	-152.8	0	0	111.8	G368 V370 R375 T394	G368-E372 PolarHBondContact O-N 3.11Å; V370-E372 VanDerWaalsContact C-N 3.34Å; V370-E372 PolarHBondContact O-N 3.12Å; E372-R375 WeakPolarHBondContact O-CB 3.48Å; E372-R375 PolarHBondContact O-N 3.08Å; E372-R375 VanDerWaalsContact O-N 3.16Å; E372-T394 HydrophobicContact CG-CG2 4.18Å; E372-T394 WeakPolarHBondContact OE1-CG2 3.06Å
373	H	78.8	Confident	72.6	Confident	24 Å²	24	76.6 Å²	76.6	11%	0.111	38%	0.384	C	S	.	.	H	α-helix	trans	-68.4	-33.1	174.8	171	57.4	0	0	0	113.3	C360 Y364 H369 V370 R371 R375 A376 H377	C360-H373 PolarHBondContact SG-NE2 3.15Å; Y364-H373 HydrophobicContact CE1-CB 3.84Å; Y364-H373 HydrophobicContact CE2-CB 4.02Å; Y364-H373 AromaticContact CE2-CD2 3.22Å; Y364-H373 WeakPolarHBondContact CE2-CD2 3.43Å; Y364-H373 AromaticContact CE2-CG 3.68Å; Y364-H373 AromaticContact CE2-NE2 3.87Å; Y364-H373 AromaticContact CZ-CD2 3.3Å; Y364-H373 AromaticContact CZ-CG 3.26Å; Y364-H373 AromaticContact CZ-ND1 3.88Å; Y364-H373 AromaticContact CZ-NE2 3.87Å; Y364-H373 PolarHBondContact OH-CD2 3.46Å; Y364-H373 PolarHBondContact OH-CE1 3.05Å; Y364-H373 VanDerWaalsContact OH-CE1 3.24Å; Y364-H373 PolarHBondContact OH-ND1 3.09Å; Y364-H373 PolarHBondContact OH-NE2 3.34Å; H369-H373 WeakPolarHBondContact O-CB 3.47Å; H369-H373 PolarHBondContact O-N 2.63Å; V370-H373 CarbonylContact O-C 3.58Å; V370-H373 WeakPolarHBondContact O-CA 3.3Å; V370-H373 WeakPolarHBondContact O-CB 3.34Å; V370-H373 PolarHBondContact O-N 3.25Å; R371-H373 VanDerWaalsContact C-N 3.33Å; H373-R375 PolarHBondContact O-N 3.04Å; H373-A376 WeakPolarHBondContact O-CA 3.42Å; H373-A376 WeakPolarHBondContact O-CB 3.49Å; H373-A376 PolarHBondContact O-N 3.29Å; H373-H377 AromaticContact CE1-CD2 3.65Å; H373-H377 AromaticContact CE1-NE2 3.44Å; H373-H377 PolarHBondContact CE1-NE2 3.42Å; H373-H377 AromaticContact NE2-CD2 3.55Å; H373-H377 AromaticContact NE2-NE2 3.31Å; H373-H377 PolarHBondContact NE2-NE2 3.27Å; H373-H377 PolarHBondContact O-N 3.36Å
374	M	71.3	Confident	73.5	Confident	54 Å²	54	77.7 Å²	77.7	27%	0.266	39%	0.386	S	S	.	.	H	α-helix	trans	-62.3	-25	172	-65.8	-52.3	-63.3	0	0	111.2	C357 E359 V370 R371 A376 H377 S378	C357-M374 HydrophobicContact CB-SD 4.34Å; C357-M374 PolarHBondContact SG-SD 3.03Å; E359-M374 HydrophobicContact CG-CE 4.04Å; E359-M374 VanDerWaalsContact OE1-CE 3.29Å; E359-M374 WeakPolarHBondContact OE1-CE 3.31Å; V370-M374 HydrophobicContact CG1-CG 4.08Å; V370-M374 HydrophobicContact CG1-SD 4.39Å; V370-M374 VanDerWaalsContact O-CG 3.28Å; V370-M374 WeakPolarHBondContact O-CG 3.38Å; V370-M374 PolarHBondContact O-N 2.92Å; R371-M374 PolarHBondContact O-N 3.06Å; M374-A376 PolarHBondContact O-N 3.41Å; M374-H377 VanDerWaalsContact O-CB 3.27Å; M374-H377 WeakPolarHBondContact O-CB 3.39Å; M374-H377 PolarHBondContact O-N 3.14Å; M374-H377 VanDerWaalsContact O-N 3.11Å; M374-S378 PolarHBondContact O-N 2.75Å; M374-S378 PolarHBondContact O-OG 3.12Å
375	R	73.4	Confident	74.2	Confident	55 Å²	55	75.3 Å²	75.3	21%	0.208	38%	0.377	C	S	.	.	H	α-helix	trans	-71.1	-17.7	169.1	-58.2	-173.6	-131.2	122.8	4.5	113.4	R371 E372 H373 H377 K393	R371-R375 PolarHBondContact O-N 3.23Å; E372-R375 WeakPolarHBondContact O-CB 3.48Å; E372-R375 PolarHBondContact O-N 3.08Å; E372-R375 VanDerWaalsContact O-N 3.16Å; H373-R375 PolarHBondContact O-N 3.04Å; R375-H377 VanDerWaalsContact C-N 3.29Å; R375-K393 PolarHBondContact NH1-O 3.03Å; R375-K393 WeakPolarHBondContact O-CD 3.28Å; R375-K393 WeakPolarHBondContact O-CE 3.44Å; R375-K393 PolarHBondContact O-NZ 3.27Å
376	A	71.2	Confident	75	Confident	57 Å²	57	76.9 Å²	76.9	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-73.3	-29.6	169.6	0	0	0	0	0	111.3	H373 M374 K393	H373-A376 WeakPolarHBondContact O-CA 3.42Å; H373-A376 WeakPolarHBondContact O-CB 3.49Å; H373-A376 PolarHBondContact O-N 3.29Å; M374-A376 PolarHBondContact O-N 3.41Å; A376-K393 PolarHBondContact O-NZ 3.2Å
377	H	71.5	Confident	75.6	Confident	60 Å²	60	81.4 Å²	81.4	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-78.3	-42.9	176.4	-82.7	-74.7	0	0	0	113	E359 C360 H373 M374 R375	E359-H377 WeakPolarHBondContact OE2-CB 3.39Å; E359-H377 IonicContact OE2-CE1 3.92Å; E359-H377 IonicContact OE2-CG 3.82Å; E359-H377 IonicContact OE2-ND1 3.91Å; E359-H377 PolarHBondContact OE2-ND1 3.27Å; C360-H377 PolarHBondContact SG-NE2 3.03Å; C360-H377 VanDerWaalsContact SG-NE2 3.4Å; H373-H377 AromaticContact CE1-CD2 3.65Å; H373-H377 AromaticContact CE1-NE2 3.44Å; H373-H377 PolarHBondContact CE1-NE2 3.42Å; H373-H377 AromaticContact NE2-CD2 3.55Å; H373-H377 AromaticContact NE2-NE2 3.31Å; H373-H377 PolarHBondContact NE2-NE2 3.27Å; H373-H377 PolarHBondContact O-N 3.36Å; M374-H377 VanDerWaalsContact O-CB 3.27Å; M374-H377 WeakPolarHBondContact O-CB 3.39Å; M374-H377 PolarHBondContact O-N 3.14Å; M374-H377 VanDerWaalsContact O-N 3.11Å; R375-H377 VanDerWaalsContact C-N 3.29Å
378	S	69	Low	76.3	Confident	36 Å²	36	78.1 Å²	78.1	25%	0.252	38%	0.381	S	S	.	.	S	Bend	trans	-78.7	146.9	170.7	64.9	0	0	0	0	111.2	M374 E380 K393	M374-S378 PolarHBondContact O-N 2.75Å; M374-S378 PolarHBondContact O-OG 3.12Å; S378-E380 PolarHBondContact O-N 2.86Å; S378-K393 PolarHBondContact O-NZ 2.91Å
379	D	68.9	Low	76.5	Confident	142 Å²	142	81.7 Å²	81.7	76%	0.759	39%	0.39	S	S	*	.			trans	-79.2	4.7	169.6	-69.7	-41.1	0	0	0	112.8	R381	D379-R381 PolarHBondContact O-N 3.12Å
380	E	73.1	Confident	76.9	Confident	133 Å²	133	81.7 Å²	81.7	62%	0.621	39%	0.389	S	S	*	.			trans	-61.5	121.6	173.1	-66.8	-177.7	170.2	0	0	110.7	S378 P382	S378-E380 PolarHBondContact O-N 2.86Å; E380-P382 WeakPolarHBondContact O-CD 3.4Å
381	R	79.5	Confident	77.5	Confident	104 Å²	104	81.2 Å²	81.2	39%	0.392	39%	0.387	S	S	.	.			trans	-118.8	78.1	176.5	-73.6	167.2	178.2	-139.7	20.5	108.9	D379 Y383 H384 G391 Y392 K393	D379-R381 PolarHBondContact O-N 3.12Å; R381-Y383 PolarHBondContact O-N 2.83Å; R381-Y383 VanDerWaalsContact O-N 3.07Å; R381-H384 PolarHBondContact O-CE1 2.82Å; R381-H384 PolarHBondContact O-NE2 2.87Å; R381-G391 VanDerWaalsContact CD-O 3.31Å; R381-G391 WeakPolarHBondContact CD-O 3.39Å; R381-G391 PolarHBondContact NH1-O 3.41Å; R381-Y392 CarbonylContact C-O 3.46Å; R381-K393 HydrophobicContact CG-CG 4.09Å
382	P	79.4	Confident	78	Confident	70 Å²	70	75.6 Å²	75.6	46%	0.455	37%	0.367	S	S	.	.			trans	-65	-19.8	-169.5	-22.8	34.6	0	0	0	114.4	E380	E380-P382 WeakPolarHBondContact O-CD 3.4Å
383	Y	82.3	Confident	78.2	Confident	79 Å²	79	74.4 Å²	74.4	31%	0.31	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	102.9	-172.9	-58.2	-74.2	0	0	0	110.7	R381 G391 Y392 T394 K395	R381-Y383 PolarHBondContact O-N 2.83Å; R381-Y383 VanDerWaalsContact O-N 3.07Å; Y383-G391 CarbonylContact O-C 3.44Å; Y383-G391 WeakPolarHBondContact O-CA 3.12Å; Y383-Y392 WeakPolarHBondContact CB-O 3.1Å; Y383-Y392 PolarHBondContact N-O 2.97Å; Y383-Y392 PolarHBondContact O-N 2.9Å; Y383-T394 VanDerWaalsContact CD2-C 3.46Å; Y383-K395 HydrophobicContact CD1-CB 4.25Å; Y383-K395 HydrophobicContact CE1-CB 4.03Å
384	H	85.8	Confident	78.2	Confident	108 Å²	108	75 Å²	75	50%	0.5	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.2	-179.2	-62.3	82.2	0	0	0	111.5	R381	R381-H384 PolarHBondContact O-CE1 2.82Å; R381-H384 PolarHBondContact O-NE2 2.87Å
385	C	87.5	Confident	78.7	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.379	C	S	.	.			trans	-80.7	117.5	171.4	-169.6	0	0	0	0	110.7	R387 C388 N389 K390 Y392 L398 H401 H405	C385-R387 PolarHBondContact O-N 3.34Å; C385-C388 PolarHBondContact O-N 3.3Å; C385-N389 WeakPolarHBondContact O-CA 3.45Å; C385-N389 PolarHBondContact O-N 3.18Å; C385-K390 PolarHBondContact N-O 3.49Å; C385-Y392 HydrophobicContact CB-CE2 4.47Å; C385-L398 HydrophobicContact CB-CD1 3.66Å; C385-H401 VanDerWaalsContact SG-CD2 3.57Å; C385-H401 PolarHBondContact SG-NE2 2.91Å; C385-H401 VanDerWaalsContact SG-NE2 3.43Å; C385-H405 PolarHBondContact SG-NE2 3.49Å; C385-H405 VanDerWaalsContact SG-NE2 3.4Å
386	H	80.1	Confident	79	Confident	136 Å²	136	81.4 Å²	81.4	63%	0.63	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.5	178.4	67.1	-84.7	0	0	0	114.5
387	R	79.8	Confident	79.5	Confident	157 Å²	157	80.4 Å²	80.4	59%	0.592	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-24.7	-179.8	-68.6	-167.3	170	-171.2	-5	115.5	C385 H405	C385-R387 PolarHBondContact O-N 3.34Å; R387-H405 PolarHBondContact NH1-O 2.73Å
388	C	82.9	Confident	80.1	Confident	25 Å²	25	78.4 Å²	78.4	17%	0.169	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	11	-176.3	67.3	0	0	0	0	113.6	C385 K390 H401 H405	C385-C388 PolarHBondContact O-N 3.3Å; C388-K390 PolarHBondContact O-N 3.24Å; C388-H401 VanDerWaalsContact SG-CE1 3.58Å; C388-H401 PolarHBondContact SG-NE2 3.16Å; C388-H405 VanDerWaalsContact SG-CE1 3.55Å; C388-H405 PolarHBondContact SG-NE2 2.8Å
389	N	79.4	Confident	80.7	Confident	116 Å²	116	80.9 Å²	80.9	62%	0.62	39%	0.389	S	S	*	.			trans	50.1	10.9	-178.5	-73.9	-31.2	0	0	0	116.9	C385 G391	C385-N389 WeakPolarHBondContact O-CA 3.45Å; C385-N389 PolarHBondContact O-N 3.18Å; N389-G391 PolarHBondContact O-N 3.23Å
390	K	83.1	Confident	81.2	Confident	94 Å²	94	76.5 Å²	76.5	41%	0.409	37%	0.368	S	S	.	.			trans	-60.7	122.6	173.2	-74.3	-176.2	179.2	-179.3	0	110.4	C385 C388 Y392	C385-K390 PolarHBondContact N-O 3.49Å; C388-K390 PolarHBondContact O-N 3.24Å; K390-Y392 HydrophobicContact CB-CE2 3.74Å; K390-Y392 VanDerWaalsContact O-CD2 3.23Å; K390-Y392 WeakPolarHBondContact O-CD2 3.1Å; K390-Y392 WeakPolarHBondContact O-CE2 3.12Å
391	G	84.4	Confident	81.6	Confident	8 Å²	8	71.1 Å²	71.1	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.3	176.9	0	0	0	0	0	112.4	R381 Y383 N389	R381-G391 VanDerWaalsContact CD-O 3.31Å; R381-G391 WeakPolarHBondContact CD-O 3.39Å; R381-G391 PolarHBondContact NH1-O 3.41Å; Y383-G391 CarbonylContact O-C 3.44Å; Y383-G391 WeakPolarHBondContact O-CA 3.12Å; N389-G391 PolarHBondContact O-N 3.23Å
392	Y	83.3	Confident	81.7	Confident	47 Å²	47	69.5 Å²	69.5	18%	0.184	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146	178.3	-63.9	-87	0	0	0	111.4	R381 Y383 C385 K390 T394 A397 L398 H401	R381-Y392 CarbonylContact C-O 3.46Å; Y383-Y392 WeakPolarHBondContact CB-O 3.1Å; Y383-Y392 PolarHBondContact N-O 2.97Å; Y383-Y392 PolarHBondContact O-N 2.9Å; C385-Y392 HydrophobicContact CB-CE2 4.47Å; K390-Y392 HydrophobicContact CB-CE2 3.74Å; K390-Y392 VanDerWaalsContact O-CD2 3.23Å; K390-Y392 WeakPolarHBondContact O-CD2 3.1Å; K390-Y392 WeakPolarHBondContact O-CE2 3.12Å; Y392-T394 VanDerWaalsContact C-N 3.33Å; Y392-A397 HydrophobicContact CD1-CB 3.89Å; Y392-A397 HydrophobicContact CG-CB 4.36Å; Y392-L398 HydrophobicContact CD2-CB 4.09Å; Y392-L398 HydrophobicContact CD2-CD1 3.83Å; Y392-L398 HydrophobicContact CE2-CD1 4.2Å; Y392-L398 HydrophobicContact CG-CB 4.28Å; Y392-H401 HydrophobicContact CE1-CB 3.87Å; Y392-H401 HydrophobicContact CE2-CB 3.86Å; Y392-H401 AromaticContact CE2-CD2 3.26Å; Y392-H401 WeakPolarHBondContact CE2-CD2 3.42Å; Y392-H401 AromaticContact CE2-CG 3.58Å; Y392-H401 AromaticContact CE2-NE2 3.99Å; Y392-H401 VanDerWaalsContact CZ-CB 3.45Å; Y392-H401 AromaticContact CZ-CD2 3.47Å; Y392-H401 VanDerWaalsContact CZ-CD2 3.47Å; Y392-H401 AromaticContact CZ-CG 3.27Å; Y392-H401 AromaticContact CZ-ND1 3.86Å; Y392-H401 WeakPolarHBondContact OH-CB 3.35Å; Y392-H401 PolarHBondContact OH-CD2 3.28Å; Y392-H401 VanDerWaalsContact OH-CD2 3.23Å; Y392-H401 PolarHBondContact OH-CE1 3.11Å; Y392-H401 VanDerWaalsContact OH-CE1 3.31Å; Y392-H401 PolarHBondContact OH-ND1 3.24Å; Y392-H401 PolarHBondContact OH-NE2 3.1Å
393	K	77	Confident	81.5	Confident	58 Å²	58	71.8 Å²	71.8	25%	0.252	34%	0.339	S	S	.	.	S	Bend	trans	-76.1	-18.9	178.6	-63.8	178.2	174.5	-131.5	0	113	R375 A376 S378 R381	R375-K393 PolarHBondContact NH1-O 3.03Å; R375-K393 WeakPolarHBondContact O-CD 3.28Å; R375-K393 WeakPolarHBondContact O-CE 3.44Å; R375-K393 PolarHBondContact O-NZ 3.27Å; A376-K393 PolarHBondContact O-NZ 3.2Å; S378-K393 PolarHBondContact O-NZ 2.91Å; R381-K393 HydrophobicContact CG-CG 4.09Å
394	T	79.5	Confident	81.1	Confident	35 Å²	35	71 Å²	71	22%	0.215	34%	0.342	C	S	.	.	S	Bend	trans	-137.4	148.4	-179.3	71.5	0	0	0	0	112.5	E372 Y383 Y392 N396 A397 L398	E372-T394 HydrophobicContact CG-CG2 4.18Å; E372-T394 WeakPolarHBondContact OE1-CG2 3.06Å; Y383-T394 VanDerWaalsContact CD2-C 3.46Å; Y392-T394 VanDerWaalsContact C-N 3.33Å; T394-N396 VanDerWaalsContact C-N 3.31Å; T394-N396 PolarHBondContact O-N 3.41Å; T394-A397 PolarHBondContact O-N 3.05Å; T394-A397 VanDerWaalsContact OG1-CB 3.26Å; T394-A397 WeakPolarHBondContact OG1-CB 3.43Å; T394-A397 PolarHBondContact OG1-N 3.3Å; T394-L398 PolarHBondContact O-N 2.66Å; T394-L398 VanDerWaalsContact O-N 3.15Å
395	K	80.9	Confident	80.5	Confident	128 Å²	128	68.5 Å²	68.5	56%	0.557	33%	0.331	S	S	*	.	H	α-helix	trans	-61.6	-37	176.8	-172.8	176.3	-179.6	175.7	0	112.5	Y383 L398 Q399	Y383-K395 HydrophobicContact CD1-CB 4.25Å; Y383-K395 HydrophobicContact CE1-CB 4.03Å; K395-L398 PolarHBondContact O-N 3.42Å; K395-Q399 PolarHBondContact O-N 3.49Å
396	N	81.1	Confident	79.6	Confident	117 Å²	117	69.7 Å²	69.7	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-65.2	-39.5	176.6	-82	25.8	0	0	0	111.9	T394 Q399 V400	T394-N396 VanDerWaalsContact C-N 3.31Å; T394-N396 PolarHBondContact O-N 3.41Å; N396-Q399 PolarHBondContact O-N 3.05Å; N396-V400 WeakPolarHBondContact O-CG2 3.37Å; N396-V400 PolarHBondContact O-N 3.5Å
397	A	81	Confident	78.7	Confident	36 Å²	36	70 Å²	70	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-40.8	176.5	0	0	0	0	0	111.3	Y392 T394 V400 H401	Y392-A397 HydrophobicContact CD1-CB 3.89Å; Y392-A397 HydrophobicContact CG-CB 4.36Å; T394-A397 PolarHBondContact O-N 3.05Å; T394-A397 VanDerWaalsContact OG1-CB 3.26Å; T394-A397 WeakPolarHBondContact OG1-CB 3.43Å; T394-A397 PolarHBondContact OG1-N 3.3Å; A397-V400 PolarHBondContact O-N 3.4Å; A397-H401 WeakPolarHBondContact O-CB 3.4Å; A397-H401 PolarHBondContact O-N 2.77Å
398	L	84.4	Confident	78.2	Confident	18 Å²	18	70.1 Å²	70.1	9%	0.094	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-46.6	171.9	173.8	62.2	0	0	0	111.6	C385 Y392 T394 K395 V400 H401 Q402	C385-L398 HydrophobicContact CB-CD1 3.66Å; Y392-L398 HydrophobicContact CD2-CB 4.09Å; Y392-L398 HydrophobicContact CD2-CD1 3.83Å; Y392-L398 HydrophobicContact CE2-CD1 4.2Å; Y392-L398 HydrophobicContact CG-CB 4.28Å; T394-L398 PolarHBondContact O-N 2.66Å; T394-L398 VanDerWaalsContact O-N 3.15Å; K395-L398 PolarHBondContact O-N 3.42Å; L398-V400 PolarHBondContact O-N 3.49Å; L398-H401 CarbonylContact O-C 3.59Å; L398-H401 PolarHBondContact O-N 2.76Å; L398-Q402 HydrophobicContact CD1-CG 4.13Å; L398-Q402 HydrophobicContact CG-CG 4.41Å; L398-Q402 VanDerWaalsContact O-CG 3.31Å; L398-Q402 WeakPolarHBondContact O-CG 3.43Å; L398-Q402 PolarHBondContact O-N 3.09Å
399	Q	82.4	Confident	77.9	Confident	87 Å²	87	74.3 Å²	74.3	41%	0.407	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-40.6	178.6	-79.9	-174.1	-22.9	0	0	113	K395 N396 Q402 R403	K395-Q399 PolarHBondContact O-N 3.49Å; N396-Q399 PolarHBondContact O-N 3.05Å; Q399-Q402 PolarHBondContact O-N 3.32Å; Q399-R403 PolarHBondContact O-N 3.28Å
400	V	78.5	Confident	77.8	Confident	51 Å²	51	73 Å²	73	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-45.5	174.7	166	0	0	0	0	110.3	N396 A397 L398 Q402 R403 E422	N396-V400 WeakPolarHBondContact O-CG2 3.37Å; N396-V400 PolarHBondContact O-N 3.5Å; A397-V400 PolarHBondContact O-N 3.4Å; L398-V400 PolarHBondContact O-N 3.49Å; V400-Q402 VanDerWaalsContact C-N 3.31Å; V400-Q402 PolarHBondContact O-N 2.83Å; V400-R403 WeakPolarHBondContact O-CB 3.24Å; V400-R403 PolarHBondContact O-N 3.09Å; V400-E422 WeakPolarHBondContact CG1-OE1 3.34Å
401	H	81.6	Confident	77.7	Confident	20 Å²	20	72.9 Å²	72.9	9%	0.093	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-35.1	175.4	168.2	64	0	0	0	112.6	C385 C388 Y392 A397 L398 R403 T404 H405	C385-H401 VanDerWaalsContact SG-CD2 3.57Å; C385-H401 PolarHBondContact SG-NE2 2.91Å; C385-H401 VanDerWaalsContact SG-NE2 3.43Å; C388-H401 VanDerWaalsContact SG-CE1 3.58Å; C388-H401 PolarHBondContact SG-NE2 3.16Å; Y392-H401 HydrophobicContact CE1-CB 3.87Å; Y392-H401 HydrophobicContact CE2-CB 3.86Å; Y392-H401 AromaticContact CE2-CD2 3.26Å; Y392-H401 WeakPolarHBondContact CE2-CD2 3.42Å; Y392-H401 AromaticContact CE2-CG 3.58Å; Y392-H401 AromaticContact CE2-NE2 3.99Å; Y392-H401 VanDerWaalsContact CZ-CB 3.45Å; Y392-H401 AromaticContact CZ-CD2 3.47Å; Y392-H401 VanDerWaalsContact CZ-CD2 3.47Å; Y392-H401 AromaticContact CZ-CG 3.27Å; Y392-H401 AromaticContact CZ-ND1 3.86Å; Y392-H401 WeakPolarHBondContact OH-CB 3.35Å; Y392-H401 PolarHBondContact OH-CD2 3.28Å; Y392-H401 VanDerWaalsContact OH-CD2 3.23Å; Y392-H401 PolarHBondContact OH-CE1 3.11Å; Y392-H401 VanDerWaalsContact OH-CE1 3.31Å; Y392-H401 PolarHBondContact OH-ND1 3.24Å; Y392-H401 PolarHBondContact OH-NE2 3.1Å; A397-H401 WeakPolarHBondContact O-CB 3.4Å; A397-H401 PolarHBondContact O-N 2.77Å; L398-H401 CarbonylContact O-C 3.59Å; L398-H401 PolarHBondContact O-N 2.76Å; H401-R403 PolarHBondContact O-N 3.18Å; H401-T404 PolarHBondContact ND1-OG1 3.39Å; H401-T404 VanDerWaalsContact ND1-OG1 3.17Å; H401-T404 WeakPolarHBondContact O-CA 3.4Å; H401-T404 WeakPolarHBondContact O-CB 3.24Å; H401-T404 PolarHBondContact O-N 2.56Å; H401-T404 PolarHBondContact O-OG1 3.3Å; H401-H405 AromaticContact CD2-NE2 3.94Å; H401-H405 AromaticContact CE1-NE2 3.3Å; H401-H405 PolarHBondContact CE1-NE2 2.77Å; H401-H405 VanDerWaalsContact CE1-NE2 3.3Å; H401-H405 AromaticContact NE2-CD2 3.75Å; H401-H405 AromaticContact NE2-NE2 2.99Å; H401-H405 PolarHBondContact NE2-NE2 3.11Å
402	Q	80.8	Confident	77.7	Confident	70 Å²	70	76 Å²	76	33%	0.327	38%	0.384	S	S	.	.	H	α-helix	trans	-60.1	-30.3	176	-78.5	173	-26.7	0	0	112.3	L398 Q399 V400 T404 H405	L398-Q402 HydrophobicContact CD1-CG 4.13Å; L398-Q402 HydrophobicContact CG-CG 4.41Å; L398-Q402 VanDerWaalsContact O-CG 3.31Å; L398-Q402 WeakPolarHBondContact O-CG 3.43Å; L398-Q402 PolarHBondContact O-N 3.09Å; Q399-Q402 PolarHBondContact O-N 3.32Å; V400-Q402 VanDerWaalsContact C-N 3.31Å; V400-Q402 PolarHBondContact O-N 2.83Å; Q402-T404 PolarHBondContact O-N 3.26Å; Q402-H405 PolarHBondContact O-N 2.73Å; Q402-H405 VanDerWaalsContact O-N 3.14Å
403	R	75.6	Confident	77.9	Confident	118 Å²	118	73.7 Å²	73.7	45%	0.445	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.8	171.9	-56.2	-177.7	-159.3	138.4	5.5	113.1	Q399 V400 H401 H405 G406 R421	Q399-R403 PolarHBondContact O-N 3.28Å; V400-R403 WeakPolarHBondContact O-CB 3.24Å; V400-R403 PolarHBondContact O-N 3.09Å; H401-R403 PolarHBondContact O-N 3.18Å; R403-H405 VanDerWaalsContact C-N 3.26Å; R403-G406 PolarHBondContact O-N 3.48Å; R403-G406 VanDerWaalsContact O-O 3.13Å; R403-R421 VanDerWaalsContact O-CD 3.24Å; R403-R421 WeakPolarHBondContact O-CD 3.2Å; R403-R421 PolarHBondContact O-NE 2.82Å; R403-R421 VanDerWaalsContact O-NE 3.09Å
404	T	73.4	Confident	78.3	Confident	62 Å²	62	78.9 Å²	78.9	38%	0.38	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.9	173.8	71.2	0	0	0	0	113.4	H401 Q402 R421	H401-T404 PolarHBondContact ND1-OG1 3.39Å; H401-T404 VanDerWaalsContact ND1-OG1 3.17Å; H401-T404 WeakPolarHBondContact O-CA 3.4Å; H401-T404 WeakPolarHBondContact O-CB 3.24Å; H401-T404 PolarHBondContact O-N 2.56Å; H401-T404 PolarHBondContact O-OG1 3.3Å; Q402-T404 PolarHBondContact O-N 3.26Å; T404-R421 VanDerWaalsContact CA-CZ 3.47Å; T404-R421 VanDerWaalsContact CA-NH1 3.26Å; T404-R421 PolarHBondContact O-NH1 3.14Å; T404-R421 PolarHBondContact O-NH2 2.91Å
405	H	74.8	Confident	78.2	Confident	56 Å²	56	83.1 Å²	83.1	26%	0.259	42%	0.416	S	S	.	.	S	Bend	trans	-88.3	-12.7	174.1	-64.8	-67.2	0	0	0	113.2	C385 R387 C388 H401 Q402 R403	C385-H405 PolarHBondContact SG-NE2 3.49Å; C385-H405 VanDerWaalsContact SG-NE2 3.4Å; R387-H405 PolarHBondContact NH1-O 2.73Å; C388-H405 VanDerWaalsContact SG-CE1 3.55Å; C388-H405 PolarHBondContact SG-NE2 2.8Å; H401-H405 AromaticContact CD2-NE2 3.94Å; H401-H405 AromaticContact CE1-NE2 3.3Å; H401-H405 PolarHBondContact CE1-NE2 2.77Å; H401-H405 VanDerWaalsContact CE1-NE2 3.3Å; H401-H405 AromaticContact NE2-CD2 3.75Å; H401-H405 AromaticContact NE2-NE2 2.99Å; H401-H405 PolarHBondContact NE2-NE2 3.11Å; Q402-H405 PolarHBondContact O-N 2.73Å; Q402-H405 VanDerWaalsContact O-N 3.14Å; R403-H405 VanDerWaalsContact C-N 3.26Å
406	G	67.3	Low	78.3	Confident	25 Å²	25	79.6 Å²	79.6	26%	0.258	41%	0.407	S	S	.	.	S	Bend	trans	-93.8	134.9	171	0	0	0	0	0	110.4	R403 E408 R421	R403-G406 PolarHBondContact O-N 3.48Å; R403-G406 VanDerWaalsContact O-O 3.13Å; G406-E408 PolarHBondContact O-N 2.99Å; G406-R421 PolarHBondContact O-NE 2.76Å; G406-R421 VanDerWaalsContact O-NE 3.13Å; G406-R421 PolarHBondContact O-NH2 3.37Å
407	D	62.5	Low	78.2	Confident	143 Å²	143	81.9 Å²	81.9	77%	0.765	41%	0.412	S	S	*	.			trans	-73.4	-5.9	169.6	-64.6	-43.5	0	0	0	112.6	K409	D407-K409 PolarHBondContact O-N 3.32Å
408	E	68.7	Low	78.2	Confident	159 Å²	159	86.8 Å²	86.8	74%	0.743	42%	0.423	S	S	*	.			trans	-60.1	112.3	173.1	-63.9	-175.4	-179.4	0	0	110.2	G406 P410	G406-E408 PolarHBondContact O-N 2.99Å; E408-P410 WeakPolarHBondContact O-CD 3.48Å
409	K	75.3	Confident	78	Confident	112 Å²	112	86.7 Å²	86.7	49%	0.487	43%	0.426	S	S	.	.			trans	-112.8	81.5	172.5	-73.7	164.3	177.1	176.6	0	107.5	D407 Y411 G419 F420 R421	D407-K409 PolarHBondContact O-N 3.32Å; K409-Y411 PolarHBondContact O-N 3.41Å; K409-Y411 VanDerWaalsContact O-N 3.12Å; K409-G419 WeakPolarHBondContact CD-O 3.32Å; K409-F420 CarbonylContact C-O 3.56Å; K409-F420 WeakPolarHBondContact CA-O 3.45Å; K409-R421 HydrophobicContact CG-CG 4.18Å
410	P	78	Confident	77.8	Confident	88 Å²	88	84.2 Å²	84.2	57%	0.571	41%	0.414	S	S	*	.			trans	-68.7	-16	-170.1	-16.5	31.2	0	0	0	113.1	E408	E408-P410 WeakPolarHBondContact O-CD 3.48Å
411	Y	80.9	Confident	77.7	Confident	93 Å²	93	85.3 Å²	85.3	37%	0.365	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	95.4	-173.6	-57.2	-71.7	0	0	0	109.8	K409 G419 F420 E422 K423	K409-Y411 PolarHBondContact O-N 3.41Å; K409-Y411 VanDerWaalsContact O-N 3.12Å; Y411-G419 CarbonylContact O-C 3.4Å; Y411-F420 WeakPolarHBondContact CB-O 3.47Å; Y411-F420 PolarHBondContact N-O 3Å; Y411-F420 VanDerWaalsContact N-O 3.14Å; Y411-F420 WeakPolarHBondContact O-CB 3.46Å; Y411-F420 PolarHBondContact O-N 3.15Å; Y411-E422 VanDerWaalsContact CD2-C 3.45Å; Y411-K423 HydrophobicContact CD1-CB 4.06Å; Y411-K423 HydrophobicContact CD1-CG 4.46Å; Y411-K423 HydrophobicContact CE1-CB 3.83Å; Y411-K423 HydrophobicContact CE1-CG 4.35Å; Y411-K423 HydrophobicContact CE2-CB 4.31Å; Y411-K423 HydrophobicContact CG-CB 4.41Å
412	V	83.9	Confident	77.5	Confident	72 Å²	72	87.9 Å²	87.9	44%	0.436	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.4	-179	-176.4	0	0	0	0	110.3	F417	V412-F417 HydrophobicContact CG1-CB 4.44Å; V412-F417 WeakPolarHBondContact CG1-O 3.31Å
413	C	88	Confident	77.6	Confident	0 Å²	0	91.1 Å²	91.1	0%	0	44%	0.438	C	S	.	.			trans	-75	127.1	172.1	-176.4	0	0	0	0	110.9	F415 F417 R418 F420 L426 H429	C413-F415 VanDerWaalsContact C-N 3.27Å; C413-F415 PolarHBondContact O-N 3.2Å; C413-F417 WeakPolarHBondContact O-CA 3.41Å; C413-F417 PolarHBondContact O-N 3.28Å; C413-R418 PolarHBondContact N-O 3.1Å; C413-F420 HydrophobicContact CB-CE2 4.17Å; C413-L426 VanDerWaalsContact CA-CD1 3.49Å; C413-L426 HydrophobicContact CB-CD1 3.72Å; C413-H429 PolarHBondContact SG-CD2 3.26Å; C413-H429 PolarHBondContact SG-NE2 2.92Å; C413-H429 VanDerWaalsContact SG-NE2 3.45Å
414	E	85.4	Confident	77.8	Confident	166 Å²	166	88 Å²	88	78%	0.776	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-24.1	179	-65.8	172.9	-175.4	0	0	112.8
415	F	77.8	Confident	78.2	Confident	124 Å²	124	86.4 Å²	86.4	54%	0.544	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-31.6	-177.2	-62.7	-77.1	0	0	0	114.2	C413 I430 H433	C413-F415 VanDerWaalsContact C-N 3.27Å; C413-F415 PolarHBondContact O-N 3.2Å; F415-I430 HydrophobicContact CD2-CG2 4.49Å; F415-I430 HydrophobicContact CE2-CG2 4.03Å; F415-H433 HydrophobicContact CB-CB 4.21Å; F415-H433 HydrophobicContact CD2-CB 3.98Å; F415-H433 HydrophobicContact CG-CB 4.01Å
416	C	83.7	Confident	78.7	Confident	54 Å²	54	84.7 Å²	84.7	37%	0.365	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	8.2	-176.1	71	0	0	0	0	114.1	R418 H429 H433	C416-R418 PolarHBondContact O-N 3.15Å; C416-H429 PolarHBondContact SG-NE2 2.97Å; C416-H433 PolarHBondContact SG-NE2 3.03Å
417	F	79	Confident	79.6	Confident	166 Å²	166	86.4 Å²	86.4	73%	0.728	43%	0.431	S	S	*	.			trans	55.3	14.6	178.6	-56	-72.3	0	0	0	115.7	V412 C413 G419	V412-F417 HydrophobicContact CG1-CB 4.44Å; V412-F417 WeakPolarHBondContact CG1-O 3.31Å; C413-F417 WeakPolarHBondContact O-CA 3.41Å; C413-F417 PolarHBondContact O-N 3.28Å; F417-G419 PolarHBondContact O-N 3.45Å
418	R	79.3	Confident	80.5	Confident	139 Å²	139	85 Å²	85	53%	0.525	42%	0.415	S	S	.	.			trans	-73.3	125.1	175.7	-167.1	166.6	178.5	131.4	-5.1	110.1	C413 C416 F420	C413-R418 PolarHBondContact N-O 3.1Å; C416-R418 PolarHBondContact O-N 3.15Å; R418-F420 HydrophobicContact CB-CE2 4.11Å; R418-F420 HydrophobicContact CB-CZ 4.35Å; R418-F420 HydrophobicContact CG-CE2 4.22Å; R418-F420 HydrophobicContact CG-CZ 4.11Å; R418-F420 VanDerWaalsContact O-CD2 3.29Å; R418-F420 WeakPolarHBondContact O-CD2 3.5Å; R418-F420 WeakPolarHBondContact O-CE2 3.4Å
419	G	80	Confident	81.2	Confident	16 Å²	16	79.4 Å²	79.4	17%	0.165	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.8	177.1	0	0	0	0	0	113.5	K409 Y411 F417	K409-G419 WeakPolarHBondContact CD-O 3.32Å; Y411-G419 CarbonylContact O-C 3.4Å; F417-G419 PolarHBondContact O-N 3.45Å
420	F	79.6	Confident	81.7	Confident	35 Å²	35	76.5 Å²	76.5	15%	0.154	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.2	176.9	-61.8	-89.9	0	0	0	110.8	K409 Y411 C413 R418 E422 L426 H429	K409-F420 CarbonylContact C-O 3.56Å; K409-F420 WeakPolarHBondContact CA-O 3.45Å; Y411-F420 WeakPolarHBondContact CB-O 3.47Å; Y411-F420 PolarHBondContact N-O 3Å; Y411-F420 VanDerWaalsContact N-O 3.14Å; Y411-F420 WeakPolarHBondContact O-CB 3.46Å; Y411-F420 PolarHBondContact O-N 3.15Å; C413-F420 HydrophobicContact CB-CE2 4.17Å; R418-F420 HydrophobicContact CB-CE2 4.11Å; R418-F420 HydrophobicContact CB-CZ 4.35Å; R418-F420 HydrophobicContact CG-CE2 4.22Å; R418-F420 HydrophobicContact CG-CZ 4.11Å; R418-F420 VanDerWaalsContact O-CD2 3.29Å; R418-F420 WeakPolarHBondContact O-CD2 3.5Å; R418-F420 WeakPolarHBondContact O-CE2 3.4Å; F420-E422 VanDerWaalsContact C-N 3.34Å; F420-L426 HydrophobicContact CB-CB 4.22Å; F420-L426 HydrophobicContact CD2-CB 4.03Å; F420-L426 HydrophobicContact CD2-CD1 3.76Å; F420-L426 HydrophobicContact CE2-CD1 4.04Å; F420-L426 HydrophobicContact CG-CB 4.25Å; F420-H429 HydrophobicContact CE1-CB 3.93Å; F420-H429 HydrophobicContact CE2-CB 3.92Å; F420-H429 AromaticContact CE2-CD2 3.49Å; F420-H429 VanDerWaalsContact CE2-CD2 3.49Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.25Å; F420-H429 AromaticContact CE2-CG 3.64Å; F420-H429 HydrophobicContact CZ-CB 3.44Å; F420-H429 VanDerWaalsContact CZ-CB 3.44Å; F420-H429 AromaticContact CZ-CD2 3.53Å; F420-H429 AromaticContact CZ-CG 3.2Å; F420-H429 AromaticContact CZ-ND1 3.59Å
421	R	75.8	Confident	82	Confident	74 Å²	74	75.3 Å²	75.3	28%	0.279	36%	0.362	S	S	.	.	S	Bend	trans	-81.8	-14	177.5	-68.7	173.8	167.4	159.5	-5.2	113.3	R403 T404 G406 K409	R403-R421 VanDerWaalsContact O-CD 3.24Å; R403-R421 WeakPolarHBondContact O-CD 3.2Å; R403-R421 PolarHBondContact O-NE 2.82Å; R403-R421 VanDerWaalsContact O-NE 3.09Å; T404-R421 VanDerWaalsContact CA-CZ 3.47Å; T404-R421 VanDerWaalsContact CA-NH1 3.26Å; T404-R421 PolarHBondContact O-NH1 3.14Å; T404-R421 PolarHBondContact O-NH2 2.91Å; G406-R421 PolarHBondContact O-NE 2.76Å; G406-R421 VanDerWaalsContact O-NE 3.13Å; G406-R421 PolarHBondContact O-NH2 3.37Å; K409-R421 HydrophobicContact CG-CG 4.18Å
422	E	78.1	Confident	81.9	Confident	74 Å²	74	78.2 Å²	78.2	35%	0.346	38%	0.379	S	S	.	.	S	Bend	trans	-135.6	137.3	-178.5	-62.6	-175.8	163.5	0	0	112.1	V400 Y411 F420 G424 S425 L426	V400-E422 WeakPolarHBondContact CG1-OE1 3.34Å; Y411-E422 VanDerWaalsContact CD2-C 3.45Å; F420-E422 VanDerWaalsContact C-N 3.34Å; E422-G424 VanDerWaalsContact C-N 3.27Å; E422-G424 PolarHBondContact O-N 3.34Å; E422-S425 PolarHBondContact O-N 2.97Å; E422-S425 VanDerWaalsContact O-N 3.12Å; E422-L426 PolarHBondContact O-N 3.45Å; E422-L426 VanDerWaalsContact O-N 3.12Å
423	K	81.8	Confident	81.6	Confident	138 Å²	138	78.5 Å²	78.5	60%	0.6	38%	0.375	S	S	*	.	H	α-helix	trans	-56.8	-39.5	174.6	-173.4	173.8	-178.6	172.9	0	112.8	Y411 S425 L426 V427	Y411-K423 HydrophobicContact CD1-CB 4.06Å; Y411-K423 HydrophobicContact CD1-CG 4.46Å; Y411-K423 HydrophobicContact CE1-CB 3.83Å; Y411-K423 HydrophobicContact CE1-CG 4.35Å; Y411-K423 HydrophobicContact CE2-CB 4.31Å; Y411-K423 HydrophobicContact CG-CB 4.41Å; K423-S425 VanDerWaalsContact C-N 3.3Å; K423-S425 PolarHBondContact O-N 3.02Å; K423-L426 PolarHBondContact O-N 2.69Å; K423-V427 HydrophobicContact CG-CG2 4.5Å; K423-V427 WeakPolarHBondContact O-CG2 3.23Å; K423-V427 PolarHBondContact O-N 3.27Å
424	G	81	Confident	81.3	Confident	52 Å²	52	81.6 Å²	81.6	54%	0.536	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-36.6	178.9	0	0	0	0	0	112.8	E422 R428	E422-G424 VanDerWaalsContact C-N 3.27Å; E422-G424 PolarHBondContact O-N 3.34Å; G424-R428 WeakPolarHBondContact O-CB 3.21Å; G424-R428 PolarHBondContact O-N 2.82Å; G424-R428 VanDerWaalsContact O-N 3.09Å
425	S	82.1	Confident	80.9	Confident	28 Å²	28	76.1 Å²	76.1	20%	0.196	38%	0.382	C	S	.	.	H	α-helix	trans	-70	-40.4	176.1	-69.9	0	0	0	0	112	E422 K423 R428 H429	E422-S425 PolarHBondContact O-N 2.97Å; E422-S425 VanDerWaalsContact O-N 3.12Å; K423-S425 VanDerWaalsContact C-N 3.3Å; K423-S425 PolarHBondContact O-N 3.02Å; S425-R428 PolarHBondContact O-N 2.99Å; S425-H429 WeakPolarHBondContact O-CB 3.32Å; S425-H429 PolarHBondContact O-N 3.01Å
426	L	85.6	Confident	81.1	Confident	21 Å²	21	75.5 Å²	75.5	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-49.7	172.4	172.6	61.8	0	0	0	111.7	C413 F420 E422 K423 R428 H429 I430	C413-L426 VanDerWaalsContact CA-CD1 3.49Å; C413-L426 HydrophobicContact CB-CD1 3.72Å; F420-L426 HydrophobicContact CB-CB 4.22Å; F420-L426 HydrophobicContact CD2-CB 4.03Å; F420-L426 HydrophobicContact CD2-CD1 3.76Å; F420-L426 HydrophobicContact CE2-CD1 4.04Å; F420-L426 HydrophobicContact CG-CB 4.25Å; E422-L426 PolarHBondContact O-N 3.45Å; E422-L426 VanDerWaalsContact O-N 3.12Å; K423-L426 PolarHBondContact O-N 2.69Å; L426-R428 VanDerWaalsContact C-N 3.26Å; L426-R428 PolarHBondContact O-N 3.5Å; L426-H429 CarbonylContact O-C 3.55Å; L426-H429 WeakPolarHBondContact O-CB 3.15Å; L426-H429 PolarHBondContact O-N 3.04Å; L426-H429 VanDerWaalsContact O-N 3.09Å; L426-I430 HydrophobicContact CD1-CD1 3.82Å; L426-I430 HydrophobicContact CD1-CG1 3.95Å; L426-I430 HydrophobicContact CD2-CD1 4.37Å; L426-I430 HydrophobicContact CG-CD1 3.79Å; L426-I430 HydrophobicContact CG-CG1 4.34Å; L426-I430 WeakPolarHBondContact O-CG1 3.48Å; L426-I430 PolarHBondContact O-N 2.8Å
427	V	84.4	Confident	80.9	Confident	60 Å²	60	79.8 Å²	79.8	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-40.5	-179.8	170.6	0	0	0	0	111.3	K423 H429 I430 R431	K423-V427 HydrophobicContact CG-CG2 4.5Å; K423-V427 WeakPolarHBondContact O-CG2 3.23Å; K423-V427 PolarHBondContact O-N 3.27Å; V427-H429 VanDerWaalsContact C-N 3.34Å; V427-I430 PolarHBondContact O-N 3.38Å; V427-R431 WeakPolarHBondContact O-CG 3.47Å; V427-R431 PolarHBondContact O-N 3.4Å
428	R	82.1	Confident	81.1	Confident	115 Å²	115	75.3 Å²	75.3	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-65.4	-39.1	176.7	-173.4	165.9	67.9	121.1	-9.8	112.3	G424 S425 L426 R431 E450	G424-R428 WeakPolarHBondContact O-CB 3.21Å; G424-R428 PolarHBondContact O-N 2.82Å; G424-R428 VanDerWaalsContact O-N 3.09Å; S425-R428 PolarHBondContact O-N 2.99Å; L426-R428 VanDerWaalsContact C-N 3.26Å; L426-R428 PolarHBondContact O-N 3.5Å; R428-R431 PolarHBondContact O-N 2.94Å; R428-E450 VanDerWaalsContact CD-CD 3.42Å; R428-E450 WeakPolarHBondContact CD-OE1 3.34Å; R428-E450 HydrophobicContact CG-CG 3.79Å; R428-E450 WeakPolarHBondContact CG-OE1 3.32Å; R428-E450 IonicContact CZ-OE1 3.83Å; R428-E450 IonicContact NE-OE1 3.34Å; R428-E450 IonicContact NH1-OE1 3.42Å; R428-E450 PolarHBondContact NH1-OE1 3.46Å; R428-E450 IonicContact NH1-OE2 3.17Å; R428-E450 PolarHBondContact NH1-OE2 3.14Å
429	H	83.9	Confident	81.2	Confident	41 Å²	41	71.6 Å²	71.6	19%	0.19	37%	0.365	C	S	.	.	H	α-helix	trans	-67.5	-41.4	174.8	172.8	76.6	0	0	0	112.4	C413 C416 F420 S425 L426 V427 R431 H432 H433	C413-H429 PolarHBondContact SG-CD2 3.26Å; C413-H429 PolarHBondContact SG-NE2 2.92Å; C413-H429 VanDerWaalsContact SG-NE2 3.45Å; C416-H429 PolarHBondContact SG-NE2 2.97Å; F420-H429 HydrophobicContact CE1-CB 3.93Å; F420-H429 HydrophobicContact CE2-CB 3.92Å; F420-H429 AromaticContact CE2-CD2 3.49Å; F420-H429 VanDerWaalsContact CE2-CD2 3.49Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.25Å; F420-H429 AromaticContact CE2-CG 3.64Å; F420-H429 HydrophobicContact CZ-CB 3.44Å; F420-H429 VanDerWaalsContact CZ-CB 3.44Å; F420-H429 AromaticContact CZ-CD2 3.53Å; F420-H429 AromaticContact CZ-CG 3.2Å; F420-H429 AromaticContact CZ-ND1 3.59Å; S425-H429 WeakPolarHBondContact O-CB 3.32Å; S425-H429 PolarHBondContact O-N 3.01Å; L426-H429 CarbonylContact O-C 3.55Å; L426-H429 WeakPolarHBondContact O-CB 3.15Å; L426-H429 PolarHBondContact O-N 3.04Å; L426-H429 VanDerWaalsContact O-N 3.09Å; V427-H429 VanDerWaalsContact C-N 3.34Å; H429-R431 PolarHBondContact O-N 3.38Å; H429-H432 WeakPolarHBondContact O-CB 2.91Å; H429-H432 PolarHBondContact O-N 2.89Å; H429-H433 AromaticContact CD2-NE2 3.91Å; H429-H433 AromaticContact CE1-NE2 3.54Å; H429-H433 AromaticContact NE2-CD2 3.6Å; H429-H433 AromaticContact NE2-NE2 3.03Å; H429-H433 PolarHBondContact NE2-NE2 3.36Å
430	I	84.6	Confident	81.5	Confident	51 Å²	51	78.1 Å²	78.1	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-58.8	-35.4	176.9	-70.4	167.8	0	0	0	111.5	F415 L426 V427 H432 H433 T434	F415-I430 HydrophobicContact CD2-CG2 4.49Å; F415-I430 HydrophobicContact CE2-CG2 4.03Å; L426-I430 HydrophobicContact CD1-CD1 3.82Å; L426-I430 HydrophobicContact CD1-CG1 3.95Å; L426-I430 HydrophobicContact CD2-CD1 4.37Å; L426-I430 HydrophobicContact CG-CD1 3.79Å; L426-I430 HydrophobicContact CG-CG1 4.34Å; L426-I430 WeakPolarHBondContact O-CG1 3.48Å; L426-I430 PolarHBondContact O-N 2.8Å; V427-I430 PolarHBondContact O-N 3.38Å; I430-H432 PolarHBondContact O-N 3.26Å; I430-H432 VanDerWaalsContact O-N 3.1Å; I430-H433 WeakPolarHBondContact O-CB 3.49Å; I430-H433 PolarHBondContact O-N 2.99Å; I430-T434 HydrophobicContact CG2-CG2 4.08Å; I430-T434 PolarHBondContact O-N 3.42Å; I430-T434 PolarHBondContact O-OG1 3.31Å
431	R	85	Confident	81.8	Confident	62 Å²	62	76.5 Å²	76.5	23%	0.234	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-19.6	174.9	-67.6	177.7	-169	158.2	5.7	114.1	V427 R428 H429 T434 G435 E436 A449	V427-R431 WeakPolarHBondContact O-CG 3.47Å; V427-R431 PolarHBondContact O-N 3.4Å; R428-R431 PolarHBondContact O-N 2.94Å; H429-R431 PolarHBondContact O-N 3.38Å; R431-T434 WeakPolarHBondContact CA-OG1 3.28Å; R431-G435 WeakPolarHBondContact O-CA 3.46Å; R431-G435 PolarHBondContact O-N 3.14Å; R431-G435 VanDerWaalsContact O-N 3.12Å; R431-E436 HydrophobicContact CB-CB 4.5Å; R431-E436 HydrophobicContact CG-CB 4.3Å; R431-E436 PolarHBondContact O-N 3.5Å; R431-A449 HydrophobicContact CB-CB 4.31Å; R431-A449 WeakPolarHBondContact CD-O 3.49Å; R431-A449 PolarHBondContact NH1-O 3Å; R431-A449 VanDerWaalsContact NH1-O 3.1Å
432	H	78.8	Confident	82.1	Confident	154 Å²	154	78.2 Å²	78.2	71%	0.713	40%	0.402	S	S	*	.	H	α-helix	trans	-73.6	-38.6	173.2	-165.9	58.2	0	0	0	111.4	H429 I430	H429-H432 WeakPolarHBondContact O-CB 2.91Å; H429-H432 PolarHBondContact O-N 2.89Å; I430-H432 PolarHBondContact O-N 3.26Å; I430-H432 VanDerWaalsContact O-N 3.1Å
433	H	78.7	Confident	82.1	Confident	79 Å²	79	81.4 Å²	81.4	37%	0.366	42%	0.415	S	S	.	.	H	α-helix	trans	-71.4	-42.6	175.8	-67.2	-65	0	0	0	112.2	F415 C416 H429 I430 G435	F415-H433 HydrophobicContact CB-CB 4.21Å; F415-H433 HydrophobicContact CD2-CB 3.98Å; F415-H433 HydrophobicContact CG-CB 4.01Å; C416-H433 PolarHBondContact SG-NE2 3.03Å; H429-H433 AromaticContact CD2-NE2 3.91Å; H429-H433 AromaticContact CE1-NE2 3.54Å; H429-H433 AromaticContact NE2-CD2 3.6Å; H429-H433 AromaticContact NE2-NE2 3.03Å; H429-H433 PolarHBondContact NE2-NE2 3.36Å; I430-H433 WeakPolarHBondContact O-CB 3.49Å; I430-H433 PolarHBondContact O-N 2.99Å; H433-G435 VanDerWaalsContact C-N 3.29Å; H433-G435 PolarHBondContact O-N 2.75Å
434	T	79.9	Confident	82.2	Confident	65 Å²	65	77.2 Å²	77.2	40%	0.399	40%	0.403	S	S	.	.	S	Bend	trans	-82	-8.7	-178.5	61.7	0	0	0	0	113.4	I430 R431 E436	I430-T434 HydrophobicContact CG2-CG2 4.08Å; I430-T434 PolarHBondContact O-N 3.42Å; I430-T434 PolarHBondContact O-OG1 3.31Å; R431-T434 WeakPolarHBondContact CA-OG1 3.28Å; T434-E436 PolarHBondContact O-N 2.87Å; T434-E436 VanDerWaalsContact O-N 3.08Å; T434-E436 WeakPolarHBondContact OG1-CG 3.24Å
435	G	78.6	Confident	82.2	Confident	50 Å²	50	77 Å²	77	52%	0.515	40%	0.401	S	S	.	.			trans	63.7	9.7	-174.7	0	0	0	0	0	114.1	R431 H433 R437	R431-G435 WeakPolarHBondContact O-CA 3.46Å; R431-G435 PolarHBondContact O-N 3.14Å; R431-G435 VanDerWaalsContact O-N 3.12Å; H433-G435 VanDerWaalsContact C-N 3.29Å; H433-G435 PolarHBondContact O-N 2.75Å; G435-R437 PolarHBondContact O-N 2.85Å
436	E	80.4	Confident	82.1	Confident	112 Å²	112	82.7 Å²	82.7	52%	0.523	42%	0.418	S	S	.	.			trans	-61.9	124.9	-177.8	-79.2	-177	-175.5	0	0	110.9	R431 T434 P438	R431-E436 HydrophobicContact CB-CB 4.5Å; R431-E436 HydrophobicContact CG-CB 4.3Å; R431-E436 PolarHBondContact O-N 3.5Å; T434-E436 PolarHBondContact O-N 2.87Å; T434-E436 VanDerWaalsContact O-N 3.08Å; T434-E436 WeakPolarHBondContact OG1-CG 3.24Å; E436-P438 VanDerWaalsContact C-CD 3.47Å; E436-P438 WeakPolarHBondContact O-CD 3.32Å
437	R	80.8	Confident	81.9	Confident	144 Å²	144	82.2 Å²	82.2	54%	0.543	42%	0.418	S	S	.	.			trans	-120.8	74.2	178.5	-74.8	175.1	154.5	-170	-0.5	111.1	G435 F439 G447 F448	G435-R437 PolarHBondContact O-N 2.85Å; R437-F439 PolarHBondContact O-N 2.73Å; R437-G447 VanDerWaalsContact CD-O 3.23Å; R437-G447 WeakPolarHBondContact CD-O 3.38Å; R437-G447 PolarHBondContact NE-O 2.8Å; R437-G447 PolarHBondContact NH1-O 2.9Å; R437-F448 CarbonylContact C-O 3.55Å; R437-F448 WeakPolarHBondContact CA-O 3.44Å
438	P	82.6	Confident	81.8	Confident	71 Å²	71	80.7 Å²	80.7	46%	0.461	41%	0.406	S	S	.	.			trans	-65.9	-23.8	-175.4	-20	32.8	0	0	0	113.4	E436	E436-P438 VanDerWaalsContact C-CD 3.47Å; E436-P438 WeakPolarHBondContact O-CD 3.32Å
439	F	82.4	Confident	81.7	Confident	62 Å²	62	76.6 Å²	76.6	27%	0.272	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	100.7	-172.6	-55.9	-75.7	0	0	0	110.2	R437 G447 F448 H451 L454	R437-F439 PolarHBondContact O-N 2.73Å; F439-G447 CarbonylContact O-C 3.43Å; F439-F448 HydrophobicContact CB-CB 4.46Å; F439-F448 PolarHBondContact N-O 2.87Å; F439-F448 VanDerWaalsContact N-O 3.17Å; F439-F448 PolarHBondContact O-N 3.49Å; F439-H451 HydrophobicContact CD1-CB 4.19Å; F439-H451 HydrophobicContact CE1-CB 4.11Å; F439-H451 HydrophobicContact CE2-CB 4.49Å; F439-H451 HydrophobicContact CG-CB 4.41Å; F439-H451 HydrophobicContact CZ-CB 4.26Å; F439-L454 HydrophobicContact CB-CB 4.46Å; F439-L454 HydrophobicContact CB-CD2 3.98Å
440	K	85.8	Confident	81.6	Confident	152 Å²	152	77.3 Å²	77.3	66%	0.661	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.1	177.1	-63.1	-177	-178.1	-178.6	0	110.9	R446	K440-R446 WeakPolarHBondContact CA-O 3.44Å
441	C	86.5	Confident	81.5	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.014	41%	0.41	C	S	.	.			trans	-68.9	124.6	170.6	177.7	0	0	0	0	109.8	K443 C444 G445 R446 F448 L454 C464	C441-K443 PolarHBondContact O-N 2.78Å; C441-K443 PolarHBondContact SG-N 3.33Å; C441-K443 VanDerWaalsContact SG-N 3.43Å; C441-C444 WeakPolarHBondContact CB-SG 3.46Å; C441-C444 PolarHBondContact SG-SG 2.9Å; C441-G445 WeakPolarHBondContact O-CA 3.4Å; C441-G445 PolarHBondContact O-N 3.41Å; C441-R446 PolarHBondContact N-O 3.49Å; C441-F448 HydrophobicContact CB-CE2 4.12Å; C441-L454 HydrophobicContact CB-CD1 3.6Å; C441-C464 PolarHBondContact SG-SG 2.91Å
442	P	81.3	Confident	81.3	Confident	110 Å²	110	78.9 Å²	78.9	71%	0.714	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.2	179.4	27	-33.9	0	0	0	113.1	M458	P442-M458 HydrophobicContact CG-CE 4.38Å; P442-M458 HydrophobicContact CG-SD 4.5Å
443	K	78.2	Confident	81.5	Confident	141 Å²	141	73.2 Å²	73.2	61%	0.613	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-43.3	-177.5	-66.3	-174.8	177.9	-174.8	0	113.5	C441 M458 C464	C441-K443 PolarHBondContact O-N 2.78Å; C441-K443 PolarHBondContact SG-N 3.33Å; C441-K443 VanDerWaalsContact SG-N 3.43Å; K443-M458 HydrophobicContact CD-SD 4.44Å; K443-C464 HydrophobicContact CB-CB 4.02Å; K443-C464 HydrophobicContact CD-CB 4.4Å
444	C	83.9	Confident	81.8	Confident	50 Å²	50	70.2 Å²	70.2	34%	0.338	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-2.1	-175.9	72.2	0	0	0	0	114.1	C441 R446 H457 C464	C441-C444 WeakPolarHBondContact CB-SG 3.46Å; C441-C444 PolarHBondContact SG-SG 2.9Å; C444-R446 PolarHBondContact O-N 2.81Å; C444-R446 VanDerWaalsContact O-N 3.07Å; C444-R446 VanDerWaalsContact SG-CB 3.52Å; C444-H457 VanDerWaalsContact SG-CE1 3.54Å; C444-H457 PolarHBondContact SG-NE2 3.02Å; C444-C464 HydrophobicContact CB-CB 4.4Å
445	G	79.8	Confident	81.9	Confident	48 Å²	48	69.8 Å²	69.8	50%	0.495	38%	0.38	S	S	.	.			trans	72.9	-7.8	-179.9	0	0	0	0	0	115.3	C441 G447	C441-G445 WeakPolarHBondContact O-CA 3.4Å; C441-G445 PolarHBondContact O-N 3.41Å; G445-G447 PolarHBondContact O-N 3.17Å
446	R	80.3	Confident	82.1	Confident	147 Å²	147	75.6 Å²	75.6	56%	0.555	39%	0.386	S	S	*	.			trans	-61.9	126.5	-177.5	-165.2	167.3	-176.4	170	1.4	110.9	K440 C441 C444 F448	K440-R446 WeakPolarHBondContact CA-O 3.44Å; C441-R446 PolarHBondContact N-O 3.49Å; C444-R446 PolarHBondContact O-N 2.81Å; C444-R446 VanDerWaalsContact O-N 3.07Å; C444-R446 VanDerWaalsContact SG-CB 3.52Å; R446-F448 HydrophobicContact CB-CE2 3.95Å; R446-F448 HydrophobicContact CB-CZ 4.12Å; R446-F448 HydrophobicContact CG-CE2 4.12Å; R446-F448 HydrophobicContact CG-CZ 3.92Å; R446-F448 VanDerWaalsContact O-CD2 3.27Å; R446-F448 WeakPolarHBondContact O-CD2 3.48Å; R446-F448 WeakPolarHBondContact O-CE2 3.4Å
447	G	82.8	Confident	82.2	Confident	11 Å²	11	71.4 Å²	71.4	11%	0.113	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	142.3	176.9	0	0	0	0	0	112.3	R437 F439 G445	R437-G447 VanDerWaalsContact CD-O 3.23Å; R437-G447 WeakPolarHBondContact CD-O 3.38Å; R437-G447 PolarHBondContact NE-O 2.8Å; R437-G447 PolarHBondContact NH1-O 2.9Å; F439-G447 CarbonylContact O-C 3.43Å; G445-G447 PolarHBondContact O-N 3.17Å
448	F	81.1	Confident	82.1	Confident	27 Å²	27	68.2 Å²	68.2	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.8	178.2	-60.9	-89.1	0	0	0	110	R437 F439 C441 R446 E450 L454 H457	R437-F448 CarbonylContact C-O 3.55Å; R437-F448 WeakPolarHBondContact CA-O 3.44Å; F439-F448 HydrophobicContact CB-CB 4.46Å; F439-F448 PolarHBondContact N-O 2.87Å; F439-F448 VanDerWaalsContact N-O 3.17Å; F439-F448 PolarHBondContact O-N 3.49Å; C441-F448 HydrophobicContact CB-CE2 4.12Å; R446-F448 HydrophobicContact CB-CE2 3.95Å; R446-F448 HydrophobicContact CB-CZ 4.12Å; R446-F448 HydrophobicContact CG-CE2 4.12Å; R446-F448 HydrophobicContact CG-CZ 3.92Å; R446-F448 VanDerWaalsContact O-CD2 3.27Å; R446-F448 WeakPolarHBondContact O-CD2 3.48Å; R446-F448 WeakPolarHBondContact O-CE2 3.4Å; F448-E450 VanDerWaalsContact C-N 3.25Å; F448-E450 PolarHBondContact O-N 3.4Å; F448-L454 HydrophobicContact CB-CB 4.24Å; F448-L454 HydrophobicContact CD2-CB 3.88Å; F448-L454 HydrophobicContact CD2-CD1 3.77Å; F448-L454 HydrophobicContact CD2-CG 4.41Å; F448-L454 HydrophobicContact CE2-CD1 3.86Å; F448-L454 HydrophobicContact CG-CB 4.13Å; F448-H457 HydrophobicContact CE1-CB 4.03Å; F448-H457 HydrophobicContact CE2-CB 4.29Å; F448-H457 AromaticContact CE2-CD2 3.76Å; F448-H457 AromaticContact CE2-CG 3.94Å; F448-H457 HydrophobicContact CZ-CB 3.64Å; F448-H457 AromaticContact CZ-CD2 3.66Å; F448-H457 AromaticContact CZ-CE1 3.89Å; F448-H457 AromaticContact CZ-CG 3.36Å; F448-H457 AromaticContact CZ-ND1 3.57Å; F448-H457 AromaticContact CZ-NE2 3.98Å
449	A	81.1	Confident	82	Confident	29 Å²	29	74.4 Å²	74.4	24%	0.24	37%	0.373	C	S	.	.	S	Bend	trans	-73.6	-20	176.4	0	0	0	0	0	112.5	R431	R431-A449 HydrophobicContact CB-CB 4.31Å; R431-A449 WeakPolarHBondContact CD-O 3.49Å; R431-A449 PolarHBondContact NH1-O 3Å; R431-A449 VanDerWaalsContact NH1-O 3.1Å
450	E	82	Confident	81.8	Confident	57 Å²	57	73.9 Å²	73.9	27%	0.266	38%	0.38	S	S	.	.	S	Bend	trans	-132.3	145.9	-176.4	-57.2	-174	178.6	0	0	112.5	R428 F448 G452 T453 L454	R428-E450 VanDerWaalsContact CD-CD 3.42Å; R428-E450 WeakPolarHBondContact CD-OE1 3.34Å; R428-E450 HydrophobicContact CG-CG 3.79Å; R428-E450 WeakPolarHBondContact CG-OE1 3.32Å; R428-E450 IonicContact CZ-OE1 3.83Å; R428-E450 IonicContact NE-OE1 3.34Å; R428-E450 IonicContact NH1-OE1 3.42Å; R428-E450 PolarHBondContact NH1-OE1 3.46Å; R428-E450 IonicContact NH1-OE2 3.17Å; R428-E450 PolarHBondContact NH1-OE2 3.14Å; F448-E450 VanDerWaalsContact C-N 3.25Å; F448-E450 PolarHBondContact O-N 3.4Å; E450-G452 VanDerWaalsContact C-N 3.31Å; E450-G452 PolarHBondContact O-N 2.87Å; E450-T453 HydrophobicContact CB-CG2 4.36Å; E450-T453 PolarHBondContact O-OG1 2.98Å; E450-L454 PolarHBondContact O-N 3.33Å
451	H	82.1	Confident	80.3	Confident	99 Å²	99	77.2 Å²	77.2	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-68.2	-30.8	174.8	-172	-88	0	0	0	112.5	F439 L454 N455	F439-H451 HydrophobicContact CD1-CB 4.19Å; F439-H451 HydrophobicContact CE1-CB 4.11Å; F439-H451 HydrophobicContact CE2-CB 4.49Å; F439-H451 HydrophobicContact CG-CB 4.41Å; F439-H451 HydrophobicContact CZ-CB 4.26Å; H451-L454 PolarHBondContact O-N 2.64Å; H451-N455 PolarHBondContact CE1-ND2 3.48Å; H451-N455 VanDerWaalsContact CE1-ND2 3.25Å; H451-N455 PolarHBondContact ND1-ND2 3.35Å; H451-N455 WeakPolarHBondContact O-CB 3.41Å; H451-N455 PolarHBondContact O-N 2.95Å
452	G	81.2	Confident	79.1	Confident	46 Å²	46	79.1 Å²	79.1	47%	0.474	42%	0.415	S	S	.	.	H	α-helix	trans	-65.3	-42.1	178.3	0	0	0	0	0	112.7	E450 N455 R456	E450-G452 VanDerWaalsContact C-N 3.31Å; E450-G452 PolarHBondContact O-N 2.87Å; G452-N455 PolarHBondContact O-N 2.83Å; G452-R456 PolarHBondContact O-N 2.99Å
453	T	82.2	Confident	78	Confident	35 Å²	35	75 Å²	75	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-69.7	-37.5	177.9	53.5	0	0	0	0	111.8	E450 R456 H457	E450-T453 HydrophobicContact CB-CG2 4.36Å; E450-T453 PolarHBondContact O-OG1 2.98Å; T453-R456 PolarHBondContact O-N 3.49Å; T453-H457 VanDerWaalsContact O-CB 3.32Å; T453-H457 WeakPolarHBondContact O-CB 3.28Å; T453-H457 PolarHBondContact O-N 3.21Å
454	L	85.3	Confident	76.9	Confident	17 Å²	17	70.2 Å²	70.2	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-58.9	-46.6	169	171.2	61.3	0	0	0	111.8	F439 C441 F448 E450 H451 R456 H457 M458	F439-L454 HydrophobicContact CB-CB 4.46Å; F439-L454 HydrophobicContact CB-CD2 3.98Å; C441-L454 HydrophobicContact CB-CD1 3.6Å; F448-L454 HydrophobicContact CB-CB 4.24Å; F448-L454 HydrophobicContact CD2-CB 3.88Å; F448-L454 HydrophobicContact CD2-CD1 3.77Å; F448-L454 HydrophobicContact CD2-CG 4.41Å; F448-L454 HydrophobicContact CE2-CD1 3.86Å; F448-L454 HydrophobicContact CG-CB 4.13Å; E450-L454 PolarHBondContact O-N 3.33Å; H451-L454 PolarHBondContact O-N 2.64Å; L454-R456 PolarHBondContact O-N 3.44Å; L454-H457 WeakPolarHBondContact O-CB 3.41Å; L454-H457 PolarHBondContact O-N 3.03Å; L454-M458 HydrophobicContact CD1-CG 3.99Å; L454-M458 HydrophobicContact CG-CG 4.43Å; L454-M458 WeakPolarHBondContact O-CB 3.44Å; L454-M458 VanDerWaalsContact O-CG 3.27Å; L454-M458 WeakPolarHBondContact O-CG 3.35Å; L454-M458 PolarHBondContact O-N 3.12Å
455	N	82.3	Confident	75.3	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.294	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-39.2	179.2	-89.4	-13.1	0	0	0	112.7	H451 G452 M458 R459	H451-N455 PolarHBondContact CE1-ND2 3.48Å; H451-N455 VanDerWaalsContact CE1-ND2 3.25Å; H451-N455 PolarHBondContact ND1-ND2 3.35Å; H451-N455 WeakPolarHBondContact O-CB 3.41Å; H451-N455 PolarHBondContact O-N 2.95Å; G452-N455 PolarHBondContact O-N 2.83Å; N455-M458 PolarHBondContact O-N 3.1Å; N455-R459 WeakPolarHBondContact O-CG 3.4Å; N455-R459 PolarHBondContact O-N 2.94Å
456	R	81.9	Confident	73.7	Confident	172 Å²	172	79.2 Å²	79.2	65%	0.649	40%	0.402	S	S	*	.	H	α-helix	trans	-63.6	-44.6	174.3	-176.9	170.2	63.8	-152.5	2.9	110.9	G452 T453 L454 M458 R459 A460	G452-R456 PolarHBondContact O-N 2.99Å; T453-R456 PolarHBondContact O-N 3.49Å; L454-R456 PolarHBondContact O-N 3.44Å; R456-M458 VanDerWaalsContact C-N 3.33Å; R456-M458 PolarHBondContact O-N 2.89Å; R456-R459 PolarHBondContact O-N 2.86Å; R456-A460 PolarHBondContact O-N 3.21Å
457	H	82.8	Confident	71.6	Confident	24 Å²	24	80 Å²	80	11%	0.111	41%	0.412	C	S	.	.	H	α-helix	trans	-59.8	-40.5	174.6	167.2	88.1	0	0	0	112.8	C444 F448 T453 L454 G463 C464	C444-H457 VanDerWaalsContact SG-CE1 3.54Å; C444-H457 PolarHBondContact SG-NE2 3.02Å; F448-H457 HydrophobicContact CE1-CB 4.03Å; F448-H457 HydrophobicContact CE2-CB 4.29Å; F448-H457 AromaticContact CE2-CD2 3.76Å; F448-H457 AromaticContact CE2-CG 3.94Å; F448-H457 HydrophobicContact CZ-CB 3.64Å; F448-H457 AromaticContact CZ-CD2 3.66Å; F448-H457 AromaticContact CZ-CE1 3.89Å; F448-H457 AromaticContact CZ-CG 3.36Å; F448-H457 AromaticContact CZ-ND1 3.57Å; F448-H457 AromaticContact CZ-NE2 3.98Å; T453-H457 VanDerWaalsContact O-CB 3.32Å; T453-H457 WeakPolarHBondContact O-CB 3.28Å; T453-H457 PolarHBondContact O-N 3.21Å; L454-H457 WeakPolarHBondContact O-CB 3.41Å; L454-H457 PolarHBondContact O-N 3.03Å; H457-G463 PolarHBondContact CE1-O 3.25Å; H457-G463 PolarHBondContact ND1-O 3.5Å; H457-G463 PolarHBondContact NE2-O 2.81Å; H457-C464 PolarHBondContact NE2-SG 3.11Å
458	M	79.6	Confident	69.7	Low	77 Å²	77	87 Å²	87	38%	0.379	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-29	177.2	-73.9	-84.9	-72.4	0	0	113.5	P442 K443 L454 N455 R456	P442-M458 HydrophobicContact CG-CE 4.38Å; P442-M458 HydrophobicContact CG-SD 4.5Å; K443-M458 HydrophobicContact CD-SD 4.44Å; L454-M458 HydrophobicContact CD1-CG 3.99Å; L454-M458 HydrophobicContact CG-CG 4.43Å; L454-M458 WeakPolarHBondContact O-CB 3.44Å; L454-M458 VanDerWaalsContact O-CG 3.27Å; L454-M458 WeakPolarHBondContact O-CG 3.35Å; L454-M458 PolarHBondContact O-N 3.12Å; N455-M458 PolarHBondContact O-N 3.1Å; R456-M458 VanDerWaalsContact C-N 3.33Å; R456-M458 PolarHBondContact O-N 2.89Å
459	R	79.7	Confident	67.5	Low	201 Å²	201	90 Å²	90	76%	0.758	47%	0.471	S	S	*	.	H	α-helix	trans	-87.2	-24.7	179.4	-71.6	-175.6	-137.7	175.3	3.4	113.6	N455 R456 K461	N455-R459 WeakPolarHBondContact O-CG 3.4Å; N455-R459 PolarHBondContact O-N 2.94Å; R456-R459 PolarHBondContact O-N 2.86Å; R459-K461 PolarHBondContact O-N 3.3Å
460	A	78.8	Confident	65	Low	52 Å²	52	96.4 Å²	96.4	43%	0.43	50%	0.501	S	S	.	.	S	Bend	trans	-65.4	119.7	176.8	0	0	0	0	0	110	R456 G462 G463	R456-A460 PolarHBondContact O-N 3.21Å; A460-G462 PolarHBondContact O-N 2.85Å; A460-G462 VanDerWaalsContact O-N 3.12Å; A460-G463 PolarHBondContact O-N 3.11Å
461	K	53.5	Low	63	Low	221 Å²	221	101.9 Å²	101.9	96%	0.961	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	115	168.7	-75.3	-169.8	176.4	-178	0	107.6	R459	R459-K461 PolarHBondContact O-N 3.3Å
462	G	62.4	Low	60.7	Low	42 Å²	42	105.5 Å²	105.5	43%	0.433	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-10	-174.1	0	0	0	0	0	115.4	A460 C464 N465	A460-G462 PolarHBondContact O-N 2.85Å; A460-G462 VanDerWaalsContact O-N 3.12Å; G462-C464 PolarHBondContact O-N 3.13Å; G462-C464 VanDerWaalsContact O-N 3.13Å; G462-N465 PolarHBondContact O-N 3.46Å
463	G	57.2	Low	58.3	Low	25 Å²	25	113 Å²	113	26%	0.258	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-179.9	0	0	0	0	0	113.9	H457 A460	H457-G463 PolarHBondContact CE1-O 3.25Å; H457-G463 PolarHBondContact ND1-O 3.5Å; H457-G463 PolarHBondContact NE2-O 2.81Å; A460-G463 PolarHBondContact O-N 3.11Å
464	C	55.8	Low	55.7	Low	39 Å²	39	114.8 Å²	114.8	26%	0.264	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.6	45	177.1	-73.1	0	0	0	0	111.9	C441 K443 C444 H457 G462 K466	C441-C464 PolarHBondContact SG-SG 2.91Å; K443-C464 HydrophobicContact CB-CB 4.02Å; K443-C464 HydrophobicContact CD-CB 4.4Å; C444-C464 HydrophobicContact CB-CB 4.4Å; H457-C464 PolarHBondContact NE2-SG 3.11Å; G462-C464 PolarHBondContact O-N 3.13Å; G462-C464 VanDerWaalsContact O-N 3.13Å; C464-K466 PolarHBondContact O-N 3.25Å
465	N	50.5	Low	53.1	Low	121 Å²	121	120.5 Å²	120.5	65%	0.647	63%	0.628	S	S	*	*			trans	-71.4	98.7	167.3	-72.7	-10.8	0	0	0	108.4	G462 E467	G462-N465 PolarHBondContact O-N 3.46Å; N465-E467 VanDerWaalsContact C-N 3.35Å; N465-E467 PolarHBondContact O-N 3.08Å
466	K	45.8	Very low	50.5	Low	166 Å²	166	124.3 Å²	124.3	72%	0.722	65%	0.652	S	S	*	*			trans	-78.6	94	161.2	-137.8	179.9	-174.7	-177.8	0	104.8	C464 N468	C464-K466 PolarHBondContact O-N 3.25Å; K466-N468 PolarHBondContact O-N 3.48Å; K466-N468 VanDerWaalsContact O-N 3.12Å
467	E	36.8	Very low	47.9	Very low	163 Å²	163	121 Å²	121	76%	0.762	66%	0.656	S	S	*	*			trans	-67.2	110	164.7	-72	-172.8	170	0	0	107	N465 S469	N465-E467 VanDerWaalsContact C-N 3.35Å; N465-E467 PolarHBondContact O-N 3.08Å; E467-S469 VanDerWaalsContact C-N 3.33Å; E467-S469 PolarHBondContact O-N 3.37Å; E467-S469 VanDerWaalsContact O-N 3.09Å
468	N	42	Very low	45.4	Very low	159 Å²	159	128.8 Å²	128.8	85%	0.85	69%	0.692	S	S	*	*			trans	-67.6	94.6	163.8	-87.3	-9	0	0	0	107.6	K466	K466-N468 PolarHBondContact O-N 3.48Å; K466-N468 VanDerWaalsContact O-N 3.12Å
469	S	34.8	Very low	42.9	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	71%	0.71	S	S	*	*			trans	-162.8	78.2	162.4	49.2	0	0	0	0	109.4	E467	E467-S469 VanDerWaalsContact C-N 3.33Å; E467-S469 PolarHBondContact O-N 3.37Å; E467-S469 VanDerWaalsContact O-N 3.09Å
470	N	29.4	Very low	40.4	Very low	163 Å²	163	130.9 Å²	130.9	87%	0.872	71%	0.71	S	S	*	*				169.2	117.8	102.2	-130.4	-1.2	0	0	0	109.1
471	E	39.6	Very low	37.8	Very low	171 Å²	171	132.5 Å²	132.5	80%	0.799	72%	0.723	S	S	*	*			trans	-70.2	127.3	157.3	-71.1	174.6	121	0	0	108
472	Q	33.2	Very low	36.5	Very low	175 Å²	175	127.3 Å²	127.3	82%	0.818	71%	0.714	S	S	*	*				164.1	151.2	124.9	-87.5	159	13.9	0	0	111.1
473	Q	31.6	Very low	34.8	Very low	203 Å²	203	129.3 Å²	129.3	95%	0.949	73%	0.727	S	S	*	*			trans	78.4	123	-179.7	-67.2	167.2	-28.2	0	0	115
474	G	27.9	Very low	33.3	Very low	73 Å²	73	135 Å²	135	75%	0.753	75%	0.752	S	S	*	*			cis	172.6	138	4.9	0	0	0	0	0	107	V476	G474-V476 PolarHBondContact O-N 3.28Å
475	V	29.5	Very low	32	Very low	138 Å²	138	138 Å²	138	84%	0.836	77%	0.773	S	S	*	*			trans	-72.9	117.4	177.7	173.4	0	0	0	0	109.7
476	V	27.6	Very low	30.9	Very low	134 Å²	134	140.1 Å²	140.1	81%	0.812	78%	0.784	S	S	*	*			trans	-158.9	103.1	145.9	-160.3	0	0	0	0	105.7	G474	G474-V476 PolarHBondContact O-N 3.28Å
477	S	27.5	Very low	30	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	78%	0.781	S	S	*	*				51.6	128.6	88.8	-53.3	0	0	0	0	115.5
478	E	29.3	Very low	29.5	Very low	187 Å²	187	134.6 Å²	134.6	87%	0.874	79%	0.791	S	S	*	*			trans	-64	147.2	-167.6	-58.3	164.5	148.1	0	0	114.2
479	E	27.3	Very low	28.7	Very low	162 Å²	162	130.6 Å²	130.6	76%	0.757	78%	0.78	S	S	*	*				170.3	142.3	114.7	-90.4	-167.5	149.4	0	0	113.2
480	Q	28.4	Very low	28.4	Very low	160 Å²	160	134.2 Å²	134.2	75%	0.748	79%	0.787	S	S	*	*			trans	84.3	108.4	149.2	-75.8	146	7.1	0	0	122.9
481	A	24	Very low	28.5	Very low	86 Å²	86	133.8 Å²	133.8	71%	0.711	79%	0.79	S	S	*	*				86.4	105.7	114.2	0	0	0	0	0	120.9
482	S	25.6	Very low	28	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	79%	0.785	S	S	*	*				56	122.3	125.4	65.2	0	0	0	0	122.9
483	A	27.5	Very low	27.8	Very low	85 Å²	85	127.8 Å²	127.8	70%	0.702	78%	0.779	S	S	*	*				81.9	126.9	128.4	0	0	0	0	0	121.3
484	D	25.4	Very low	27.8	Very low	145 Å²	145	127.6 Å²	127.6	78%	0.775	78%	0.778	S	S	*	*			trans	87.7	102.9	143.6	-65.1	-11.1	0	0	0	121.3
485	S	27.3	Very low	28	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	77%	0.769	S	S	*	*			trans	52.7	122	130.2	59.8	0	0	0	0	118.8
486	L	28.5	Very low	28.5	Very low	166 Å²	166	128.7 Å²	128.7	87%	0.869	77%	0.769	S	S	*	*				-170	143.6	113.9	-93.9	161.1	0	0	0	111.5
487	S	25.9	Very low	29.1	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	77%	0.768	S	S	*	*			trans	-29.6	125.4	171.7	48.3	0	0	0	0	117.3	A489	S487-A489 VanDerWaalsContact C-N 3.35Å; S487-A489 PolarHBondContact O-N 3.47Å
488	A	26.4	Very low	29.1	Very low	116 Å²	116	128.9 Å²	128.9	96%	0.959	76%	0.761	S	S	*	*			trans	-83.6	81.7	159	0	0	0	0	0	109.4
489	A	26.7	Very low	28.9	Very low	76 Å²	76	127.9 Å²	127.9	63%	0.628	76%	0.76	S	S	*	*			trans	-114.5	135.4	154.8	0	0	0	0	0	106.9	S487	S487-A489 VanDerWaalsContact C-N 3.35Å; S487-A489 PolarHBondContact O-N 3.47Å
490	E	27.4	Very low	28.7	Very low	166 Å²	166	127.6 Å²	127.6	78%	0.776	76%	0.763	S	S	*	*			trans	82.1	88.6	168.9	-58.2	177.4	160.6	0	0	118.4
491	V	31.9	Very low	28.5	Very low	154 Å²	154	125 Å²	125	93%	0.933	76%	0.758	S	S	*	*				-128.6	121.3	121.1	-180	0	0	0	0	107.5
492	I	28.4	Very low	28.5	Very low	138 Å²	138	128.9 Å²	128.9	71%	0.708	76%	0.762	S	S	*	*			trans	-91.2	144.7	-172	-71.5	167.5	0	0	0	110.6
493	A	29.9	Very low	28.4	Very low	83 Å²	83	132.6 Å²	132.6	69%	0.686	76%	0.764	S	S	*	*			trans	66.6	118.1	152.8	0	0	0	0	0	119.9
494	E	31.2	Very low	28.2	Very low	198 Å²	198	133.2 Å²	133.2	93%	0.925	76%	0.763	S	S	*	*				-177	106	98.7	-92.8	-176	-173	0	0	109.3
495	D	31.9	Very low	28.2	Very low	107 Å²	107	131.9 Å²	131.9	57%	0.572	77%	0.765	S	S	*	*			trans	167.6	113.9	143.3	-169.2	-7.4	0	0	0	109.8	H497 A498	D495-H497 VanDerWaalsContact C-N 3.26Å; D495-H497 PolarHBondContact O-N 3.06Å; D495-H497 PolarHBondContact OD1-N 3.09Å; D495-A498 HydrophobicContact CB-CB 4.1Å
496	P	41.4	Very low	28.2	Very low	127 Å²	127	133 Å²	133	83%	0.825	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-4.7	177.2	-10.7	27	0	0	0	114.7
497	H	39	Very low	28.2	Very low	174 Å²	174	131.5 Å²	131.5	81%	0.806	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	12.9	-174.5	-80	26.7	0	0	0	115.4	D495 L499	D495-H497 VanDerWaalsContact C-N 3.26Å; D495-H497 PolarHBondContact O-N 3.06Å; D495-H497 PolarHBondContact OD1-N 3.09Å; H497-L499 PolarHBondContact O-N 3.29Å
498	A	27.4	Very low	28.4	Very low	69 Å²	69	130.3 Å²	130.3	57%	0.57	76%	0.761	S	S	*	*			trans	-83.6	96.9	173.5	0	0	0	0	0	112.1	D495 L500	D495-A498 HydrophobicContact CB-CB 4.1Å; A498-L500 PolarHBondContact O-N 2.92Å
499	L	26.1	Very low	28.4	Very low	165 Å²	165	131.3 Å²	131.3	86%	0.864	75%	0.75	S	S	*	*			trans	-80.4	104.1	161.4	-77.5	172.7	0	0	0	109.5	H497 V501	H497-L499 PolarHBondContact O-N 3.29Å; L499-V501 PolarHBondContact O-N 3.38Å
500	L	22.3	Very low	28.4	Very low	157 Å²	157	133.2 Å²	133.2	82%	0.822	75%	0.754	S	S	*	*			trans	-80.1	102.3	168.4	-145.8	121.2	0	0	0	108.4	A498 E502	A498-L500 PolarHBondContact O-N 2.92Å; L500-E502 PolarHBondContact O-N 2.91Å
501	V	25.1	Very low	28.4	Very low	104 Å²	104	132.7 Å²	132.7	63%	0.63	75%	0.752	S	S	*	*			trans	-81.4	97.3	172.7	179.8	0	0	0	0	108.3	L499 F503	L499-V501 PolarHBondContact O-N 3.38Å; V501-F503 HydrophobicContact CG1-CE1 4.47Å; V501-F503 HydrophobicContact CG1-CE2 4.29Å; V501-F503 HydrophobicContact CG1-CZ 4.24Å; V501-F503 PolarHBondContact O-N 2.99Å
502	E	23.4	Very low	28	Very low	169 Å²	169	134 Å²	134	79%	0.79	75%	0.748	S	S	*	*			trans	-80.1	113.4	171.1	-153.7	176.2	-159.9	0	0	109.2	L500 S504	L500-E502 PolarHBondContact O-N 2.91Å; E502-S504 PolarHBondContact O-N 3.46Å
503	F	22.4	Very low	27.8	Very low	189 Å²	189	135.9 Å²	135.9	83%	0.829	75%	0.747	S	S	*	*			trans	-75.5	87.3	178.4	-71.2	-85.8	0	0	0	110.7	V501 S505	V501-F503 HydrophobicContact CG1-CE1 4.47Å; V501-F503 HydrophobicContact CG1-CE2 4.29Å; V501-F503 HydrophobicContact CG1-CZ 4.24Å; V501-F503 PolarHBondContact O-N 2.99Å; F503-S505 PolarHBondContact O-N 3Å
504	S	24.1	Very low	27.5	Very low	98 Å²	98	138.8 Å²	138.8	69%	0.685	75%	0.749	S	S	*	*			trans	-72.2	113.4	158.4	54.8	0	0	0	0	108.6	E502 V506	E502-S504 PolarHBondContact O-N 3.46Å; S504-V506 PolarHBondContact O-N 2.98Å
505	S	25.4	Very low	27.2	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	74%	0.741	S	S	*	*			trans	-57.8	105.7	177.1	68.7	0	0	0	0	110.5	F503	F503-S505 PolarHBondContact O-N 3Å
506	V	27.7	Very low	26.8	Very low	125 Å²	125	140.1 Å²	140.1	76%	0.758	75%	0.752	S	S	*	*			trans	-69.2	124.9	172.6	179	0	0	0	0	109	S504	S504-V506 PolarHBondContact O-N 2.98Å
507	V	27.3	Very low	26.1	Very low	133 Å²	133	140.1 Å²	140.1	81%	0.806	75%	0.751	S	S	*	*			trans	-117.6	123.3	149.7	176.8	0	0	0	0	105.7
508	A	30.5	Very low	25.6	Very low	71 Å²	71	140.7 Å²	140.7	59%	0.587	75%	0.754	S	S	*	*			trans	-52.6	137.9	-173.5	0	0	0	0	0	113.8
509	D	26.6	Very low	25.6	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	77%	0.768	S	S	*	*				-176.4	126.9	117.7	-86	-20.9	0	0	0	109.3
510	T	27.3	Very low	25.8	Very low	116 Å²	116	144.6 Å²	144.6	71%	0.712	77%	0.766	S	S	*	*			trans	65.4	101.5	169.6	62	0	0	0	0	117.2
511	Q	27.1	Very low	26.3	Very low	154 Å²	154	144.6 Å²	144.6	72%	0.72	76%	0.761	S	S	*	*			trans	-109.3	108.7	157.3	-80.7	178.3	-25.7	0	0	108.9	Y513	Q511-Y513 HydrophobicContact CB-CD2 4.31Å; Q511-Y513 HydrophobicContact CB-CE2 3.86Å; Q511-Y513 PolarHBondContact OE1-OH 3.49Å
512	E	23.8	Very low	26.5	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	77%	0.769	S	S	*	*			trans	-78.6	130.7	153.8	-70.6	176	168.3	0	0	107.3
513	Y	23.8	Very low	26.6	Very low	178 Å²	178	146.9 Å²	146.9	70%	0.698	77%	0.767	S	S	*	*			trans	-104.8	115.8	169.3	-74.8	-86.1	0	0	0	108.7	Q511	Q511-Y513 HydrophobicContact CB-CD2 4.31Å; Q511-Y513 HydrophobicContact CB-CE2 3.86Å; Q511-Y513 PolarHBondContact OE1-OH 3.49Å
514	I	23.4	Very low	26.8	Very low	143 Å²	143	145.7 Å²	145.7	73%	0.733	76%	0.764	S	S	*	*			trans	-93	109.9	163	-61.5	173.6	0	0	0	106.5	K516	I514-K516 HydrophobicContact CG2-CG 4.27Å
515	I	25.9	Very low	26.7	Very low	145 Å²	145	150 Å²	150	74%	0.744	77%	0.773	S	S	*	*			trans	-93.8	110.7	168.2	-59.4	175.5	0	0	0	107	T517	I515-T517 HydrophobicContact CG2-CG2 4.11Å
516	K	22.3	Very low	26.8	Very low	188 Å²	188	150.5 Å²	150.5	82%	0.817	77%	0.771	S	S	*	*			trans	-90.5	122.9	164.4	-74.4	-178.8	178.2	178.2	0	108.1	I514	I514-K516 HydrophobicContact CG2-CG 4.27Å
517	T	27.6	Very low	26.6	Very low	128 Å²	128	151.3 Å²	151.3	79%	0.785	78%	0.777	S	S	*	*			trans	-117	114.3	162.4	50.4	0	0	0	0	107.9	I515	I515-T517 HydrophobicContact CG2-CG2 4.11Å
518	Q	27.3	Very low	26.5	Very low	186 Å²	186	152 Å²	152	87%	0.869	78%	0.775	S	S	*	*			trans	-106.5	125.9	159	-80.6	-174.9	-11.1	0	0	107
519	T	28.9	Very low	26.2	Very low	143 Å²	143	154.6 Å²	154.6	88%	0.877	78%	0.778	S	S	*	*				-164.9	126.5	120.5	38.7	0	0	0	0	109.1
520	E	30.4	Very low	26.3	Very low	173 Å²	173	155.9 Å²	155.9	81%	0.808	78%	0.779	S	S	*	*			trans	-48.8	157	163.3	-73.8	161.3	169.3	0	0	111.4
521	E	31.6	Very low	26.5	Very low	157 Å²	157	157.4 Å²	157.4	73%	0.734	78%	0.783	S	S	*	*			cis	-170.5	146.6	35.1	-127.9	159.9	-151.2	0	0	109.6
522	E	29.9	Very low	26.9	Very low	171 Å²	171	155.8 Å²	155.8	80%	0.799	79%	0.788	S	S	*	*			trans	67.8	132.7	148.9	-70	-177.2	174.2	0	0	126.6
523	M	24.6	Very low	27.5	Very low	149 Å²	149	155.5 Å²	155.5	73%	0.734	79%	0.787	S	S	*	*			trans	88.1	103	147.6	-97.2	175.8	53.2	0	0	121.4
524	Q	26.4	Very low	28.3	Very low	165 Å²	165	153 Å²	153	77%	0.771	79%	0.786	S	S	*	*			trans	71.5	130.2	132.4	-92.9	154.7	-11.4	0	0	120.5
525	Q	23.8	Very low	29	Very low	188 Å²	188	154.2 Å²	154.2	88%	0.879	79%	0.789	S	S	*	*			trans	114.9	113.9	141.3	-148.6	164	18.3	0	0	115.6
526	V	26.6	Very low	29.4	Very low	128 Å²	128	154.2 Å²	154.2	78%	0.776	79%	0.787	S	S	*	*			trans	-49.3	129.9	167.5	173.8	0	0	0	0	111.2
527	T	24.2	Very low	30	Very low	142 Å²	142	147 Å²	147	87%	0.871	77%	0.767	S	S	*	*			trans	-176.3	156.6	136.2	22.5	0	0	0	0	111.9
528	L	23.8	Very low	30.5	Very low	146 Å²	146	146.1 Å²	146.1	76%	0.764	76%	0.757	S	S	*	*			trans	-89.8	153.4	-158.5	-114.8	86.5	0	0	0	115.1
529	I	24.6	Very low	30.9	Very low	127 Å²	127	143.9 Å²	143.9	65%	0.651	75%	0.746	S	S	*	*			trans	91.3	110.9	142.3	-63.7	161.4	0	0	0	120.8
530	Q	30	Very low	31.3	Very low	164 Å²	164	142 Å²	142	77%	0.766	73%	0.73	S	S	*	*				41.9	120.7	129.8	-55.4	169.3	-34.1	0	0	121.3
531	D	31.4	Very low	31.5	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	72%	0.721	S	S	*	*				167.9	100.2	119.9	-86.6	-18.7	0	0	0	111.4
532	S	34.2	Very low	31.9	Very low	119 Å²	119	139.2 Å²	139.2	83%	0.832	72%	0.716	S	S	*	*			trans	-144	16.6	171.3	61.7	0	0	0	0	114.8
533	Q	36.8	Very low	32.1	Very low	177 Å²	177	135.2 Å²	135.2	83%	0.827	70%	0.703	S	S	*	*			trans	-100.6	17.7	-175.8	-71.6	-164.5	-12	0	0	116.1
534	N	41.6	Very low	32.7	Very low	126 Å²	126	131.8 Å²	131.8	67%	0.674	69%	0.69	S	S	*	*	S	Bend	trans	-103.8	4.6	-173.3	-76.4	-19.3	0	0	0	116.7	N538	N534-N538 PolarHBondContact O-ND2 3.37Å
535	E	37.8	Very low	33	Very low	168 Å²	168	130.7 Å²	130.7	79%	0.785	69%	0.686	S	S	*	*	H	α-helix	trans	-87.5	-35	176.7	-74	-173.6	150.2	0	0	113.5	N538	E535-N538 PolarHBondContact O-N 3.06Å
536	M	33.9	Very low	33.4	Very low	144 Å²	144	127.6 Å²	127.6	71%	0.709	67%	0.671	S	S	*	*	H	α-helix	trans	-70.9	-33.6	-178.5	-167.8	173.7	-71	0	0	112.7	N538 Q539 I540	M536-N538 VanDerWaalsContact C-N 3.33Å; M536-N538 PolarHBondContact O-N 3.28Å; M536-Q539 PolarHBondContact O-N 3.26Å; M536-I540 WeakPolarHBondContact O-CG1 3.25Å; M536-I540 PolarHBondContact O-N 3.13Å
537	G	34.8	Very low	33.8	Very low	38 Å²	38	126.9 Å²	126.9	39%	0.392	66%	0.662	S	S	.	*	H	α-helix	trans	-65.5	-33.3	176.1	0	0	0	0	0	113.5	Q539 I540 M541	G537-Q539 VanDerWaalsContact C-N 3.34Å; G537-Q539 PolarHBondContact O-N 3.07Å; G537-I540 PolarHBondContact O-N 3.34Å; G537-M541 PolarHBondContact O-N 3.2Å
538	N	38.8	Very low	34.4	Very low	109 Å²	109	125.2 Å²	125.2	58%	0.583	65%	0.651	S	S	*	*	H	α-helix	trans	-72.8	-24.6	-179.5	-77.5	-35.1	0	0	0	113.3	N534 E535 M536	N534-N538 PolarHBondContact O-ND2 3.37Å; E535-N538 PolarHBondContact O-N 3.06Å; M536-N538 VanDerWaalsContact C-N 3.33Å; M536-N538 PolarHBondContact O-N 3.28Å
539	Q	35.4	Very low	34.9	Very low	138 Å²	138	122.1 Å²	122.1	65%	0.645	64%	0.641	S	S	*	*	H	α-helix	trans	-79.5	-36.4	173.7	-93.1	159.9	-22.2	0	0	112.6	M536 G537 M541 K542 V543	M536-Q539 PolarHBondContact O-N 3.26Å; G537-Q539 VanDerWaalsContact C-N 3.34Å; G537-Q539 PolarHBondContact O-N 3.07Å; Q539-M541 VanDerWaalsContact C-N 3.35Å; Q539-K542 PolarHBondContact O-N 2.96Å; Q539-V543 WeakPolarHBondContact O-CG2 3.3Å; Q539-V543 PolarHBondContact O-N 3.3Å
540	I	36.5	Very low	35.4	Very low	104 Å²	104	123.2 Å²	123.2	53%	0.533	64%	0.644	S	S	.	*	H	α-helix	trans	-66.1	-40.6	177	-64.7	168.6	0	0	0	110.3	M536 G537 K542 V543 V544	M536-I540 WeakPolarHBondContact O-CG1 3.25Å; M536-I540 PolarHBondContact O-N 3.13Å; G537-I540 PolarHBondContact O-N 3.34Å; I540-K542 VanDerWaalsContact C-N 3.33Å; I540-K542 PolarHBondContact O-N 3.22Å; I540-V543 PolarHBondContact O-N 3.44Å; I540-V544 WeakPolarHBondContact O-CG2 3.44Å; I540-V544 PolarHBondContact O-N 3.08Å; I540-V544 VanDerWaalsContact O-N 3.1Å
541	M	35.3	Very low	35.6	Very low	126 Å²	126	119.7 Å²	119.7	62%	0.621	64%	0.637	S	S	*	*	H	α-helix	trans	-63.3	-34.7	176.7	-75.6	-65.1	-75.5	0	0	113.6	G537 Q539 Q545	G537-M541 PolarHBondContact O-N 3.2Å; Q539-M541 VanDerWaalsContact C-N 3.35Å; M541-Q545 PolarHBondContact O-N 3.29Å; M541-Q545 VanDerWaalsContact O-N 3.09Å
542	K	38.9	Very low	35.7	Very low	146 Å²	146	121.9 Å²	121.9	64%	0.635	64%	0.642	S	S	*	*	H	α-helix	trans	-67.6	-37.4	174.8	-78.8	-180	177.4	176.6	0	112.7	Q539 I540 Q546	Q539-K542 PolarHBondContact O-N 2.96Å; I540-K542 VanDerWaalsContact C-N 3.33Å; I540-K542 PolarHBondContact O-N 3.22Å; K542-Q546 WeakPolarHBondContact O-CB 3.35Å; K542-Q546 PolarHBondContact O-N 3.18Å; K542-Q546 VanDerWaalsContact O-N 3.15Å
543	V	35.9	Very low	35.4	Very low	87 Å²	87	119.5 Å²	119.5	53%	0.527	64%	0.637	S	S	.	*	H	α-helix	trans	-69.1	-38.4	178.1	174.9	0	0	0	0	111.1	Q539 I540 Q546 I547	Q539-V543 WeakPolarHBondContact O-CG2 3.3Å; Q539-V543 PolarHBondContact O-N 3.3Å; I540-V543 PolarHBondContact O-N 3.44Å; V543-Q546 PolarHBondContact O-N 2.99Å; V543-I547 HydrophobicContact CG1-CD1 4.11Å; V543-I547 WeakPolarHBondContact O-CG1 3.37Å; V543-I547 PolarHBondContact O-N 3.16Å
544	V	35.9	Very low	35.3	Very low	76 Å²	76	116.5 Å²	116.5	46%	0.461	64%	0.642	S	S	.	*	H	α-helix	trans	-68.6	-40.7	177	176.1	0	0	0	0	111.6	I540 Q546 I547 V548	I540-V544 WeakPolarHBondContact O-CG2 3.44Å; I540-V544 PolarHBondContact O-N 3.08Å; I540-V544 VanDerWaalsContact O-N 3.1Å; V544-Q546 PolarHBondContact O-N 3.46Å; V544-I547 PolarHBondContact O-N 3.39Å; V544-V548 WeakPolarHBondContact O-CG2 3.36Å; V544-V548 PolarHBondContact O-N 3.34Å; V544-V548 VanDerWaalsContact O-N 3.13Å
545	Q	33.7	Very low	34.5	Very low	143 Å²	143	115.3 Å²	115.3	67%	0.668	65%	0.65	S	S	*	*	H	α-helix	trans	-61.4	-31.5	172.3	-103	176.6	-17.5	0	0	113.3	M541 S549	M541-Q545 PolarHBondContact O-N 3.29Å; M541-Q545 VanDerWaalsContact O-N 3.09Å; Q545-S549 WeakPolarHBondContact O-CB 3.35Å; Q545-S549 PolarHBondContact O-N 3.28Å; Q545-S549 PolarHBondContact O-OG 3.48Å
546	Q	31.2	Very low	34	Very low	122 Å²	122	112 Å²	112	57%	0.57	65%	0.645	S	S	*	*	H	α-helix	trans	-77.4	-25.9	179.1	-164.8	152.1	-18.9	0	0	113.3	K542 V543 V544 S549 Q550	K542-Q546 WeakPolarHBondContact O-CB 3.35Å; K542-Q546 PolarHBondContact O-N 3.18Å; K542-Q546 VanDerWaalsContact O-N 3.15Å; V543-Q546 PolarHBondContact O-N 2.99Å; V544-Q546 PolarHBondContact O-N 3.46Å; Q546-S549 WeakPolarHBondContact CA-OG 3.44Å; Q546-S549 PolarHBondContact O-OG 3.08Å; Q546-Q550 WeakPolarHBondContact O-CG 3.41Å
547	I	35.4	Very low	33.7	Very low	114 Å²	114	113.7 Å²	113.7	59%	0.585	65%	0.651	S	S	*	*	H	α-helix	trans	-79.2	-39.1	175.1	-66.7	165.4	0	0	0	110.6	V543 V544 S549 Q550	V543-I547 HydrophobicContact CG1-CD1 4.11Å; V543-I547 WeakPolarHBondContact O-CG1 3.37Å; V543-I547 PolarHBondContact O-N 3.16Å; V544-I547 PolarHBondContact O-N 3.39Å; I547-S549 VanDerWaalsContact C-N 3.33Å; I547-S549 PolarHBondContact O-N 3.37Å; I547-Q550 PolarHBondContact O-N 2.99Å
548	V	36.6	Very low	33.2	Very low	106 Å²	106	120 Å²	120	64%	0.642	67%	0.67	S	S	*	*	H	α-helix	trans	-72.3	-25.3	179	176.1	0	0	0	0	112.5	V544	V544-V548 WeakPolarHBondContact O-CG2 3.36Å; V544-V548 PolarHBondContact O-N 3.34Å; V544-V548 VanDerWaalsContact O-N 3.13Å
549	S	35	Very low	32.7	Very low	81 Å²	81	122.6 Å²	122.6	57%	0.566	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-9.2	175.7	49.2	0	0	0	0	114.7	Q545 Q546 I547	Q545-S549 WeakPolarHBondContact O-CB 3.35Å; Q545-S549 PolarHBondContact O-N 3.28Å; Q545-S549 PolarHBondContact O-OG 3.48Å; Q546-S549 WeakPolarHBondContact CA-OG 3.44Å; Q546-S549 PolarHBondContact O-OG 3.08Å; I547-S549 VanDerWaalsContact C-N 3.33Å; I547-S549 PolarHBondContact O-N 3.37Å
550	Q	33.9	Very low	32.3	Very low	150 Å²	150	122 Å²	122	70%	0.701	68%	0.683	S	S	*	*	S	Bend	trans	-103.3	-0.7	-177.7	-71.4	-176.5	26.4	0	0	114.6	Q546 I547	Q546-Q550 WeakPolarHBondContact O-CG 3.41Å; I547-Q550 PolarHBondContact O-N 2.99Å
551	S	33.6	Very low	32	Very low	90 Å²	90	123.5 Å²	123.5	63%	0.629	70%	0.696	S	S	*	*			trans	-103.7	63.4	179.3	52.6	0	0	0	0	112.7	G553	S551-G553 PolarHBondContact O-N 3.02Å
552	H	33.9	Very low	31.6	Very low	195 Å²	195	127.8 Å²	127.8	90%	0.903	71%	0.706	S	S	*	*			trans	-84.5	94.2	157.4	-82.2	-51.9	0	0	0	109.5
553	G	29.3	Very low	31	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	72%	0.717	S	S	*	*			trans	-171.9	111.4	173.5	0	0	0	0	0	111.6	S551 A555	S551-G553 PolarHBondContact O-N 3.02Å; G553-A555 PolarHBondContact O-N 2.89Å
554	A	34.3	Very low	30.8	Very low	114 Å²	114	130.8 Å²	130.8	94%	0.942	73%	0.73	S	S	*	*			trans	-62.1	114.7	-174	0	0	0	0	0	113.5
555	A	25.3	Very low	30.4	Very low	101 Å²	101	130.3 Å²	130.3	84%	0.835	74%	0.74	S	S	*	*			trans	-158.8	124.4	148.7	0	0	0	0	0	109.2	G553	G553-A555 PolarHBondContact O-N 2.89Å
556	S	26.3	Very low	30.3	Very low	99 Å²	99	128 Å²	128	69%	0.692	75%	0.746	S	S	*	*			trans	-88.6	127.2	-173.2	49.5	0	0	0	0	113.2
557	H	28.3	Very low	30.3	Very low	180 Å²	180	129.7 Å²	129.7	83%	0.833	76%	0.759	S	S	*	*			trans	62.8	153	146.1	-53.4	-45.2	0	0	0	118.8
558	Q	23	Very low	30	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	77%	0.774	S	S	*	*			cis	-148.1	154.8	34.3	-75.8	170.2	-40.5	0	0	111.7
559	I	28.5	Very low	29.8	Very low	164 Å²	164	137.6 Å²	137.6	84%	0.841	79%	0.786	S	S	*	*			trans	-120.9	122.6	165	-59.5	175.8	0	0	0	107.8	V561	I559-V561 HydrophobicContact CG2-CG2 4.38Å
560	I	27.1	Very low	29.5	Very low	126 Å²	126	138.4 Å²	138.4	65%	0.646	79%	0.792	S	S	*	*			trans	-108.1	126	175.9	-60.4	172.7	0	0	0	107.6
561	V	30.1	Very low	29.1	Very low	135 Å²	135	135.8 Å²	135.8	82%	0.818	80%	0.796	S	S	*	*			trans	-107.1	126.6	176.5	-176.9	0	0	0	0	109	I559	I559-V561 HydrophobicContact CG2-CG2 4.38Å
562	R	27.5	Very low	28.8	Very low	216 Å²	216	134.2 Å²	134.2	82%	0.815	79%	0.785	S	S	*	*			trans	-118.3	137.8	172.2	-79.9	-170.6	174.2	102.4	-1.2	110.2
563	N	27.2	Very low	28.4	Very low	163 Å²	163	132.7 Å²	132.7	87%	0.872	78%	0.782	S	S	*	*			trans	-83.7	126.5	178.7	-161.9	6.5	0	0	0	109.6
564	V	31.6	Very low	28.4	Very low	133 Å²	133	132.4 Å²	132.4	81%	0.806	77%	0.769	S	S	*	*			trans	-133.2	115.7	166.2	-177.8	0	0	0	0	106.5
565	G	27.2	Very low	27.9	Very low	65 Å²	65	133 Å²	133	67%	0.67	76%	0.756	S	S	*	*			trans	-65.8	147.3	179.6	0	0	0	0	0	111.8	D567	G565-D567 PolarHBondContact O-N 2.93Å
566	A	30.6	Very low	28.2	Very low	96 Å²	96	133.8 Å²	133.8	79%	0.793	75%	0.754	S	S	*	*			trans	-66.2	120.6	173.5	0	0	0	0	0	110
567	D	31.8	Very low	28.4	Very low	157 Å²	157	131.9 Å²	131.9	84%	0.84	75%	0.75	S	S	*	*			trans	-164.1	136.4	131.8	-84.2	-32.9	0	0	0	107.9	G565	G565-D567 PolarHBondContact O-N 2.93Å
568	E	28.6	Very low	28.6	Very low	191 Å²	191	131.3 Å²	131.3	89%	0.893	75%	0.753	S	S	*	*			trans	89	103.8	177.4	-49.5	-154.3	159.4	0	0	118.4	S570	E568-S570 PolarHBondContact O-N 3.48Å
569	E	33	Very low	28.8	Very low	195 Å²	195	129.3 Å²	129.3	91%	0.911	75%	0.753	S	S	*	*	S	Bend	trans	-64.6	122.6	170.1	-72.3	-177.8	141.3	0	0	112
570	S	27.5	Very low	28.8	Very low	97 Å²	97	129 Å²	129	68%	0.678	75%	0.751	S	S	*	*			trans	121	62.7	154	75.4	0	0	0	0	116.3	E568	E568-S570 PolarHBondContact O-N 3.48Å
571	A	26.8	Very low	28.7	Very low	96 Å²	96	129.7 Å²	129.7	79%	0.793	76%	0.761	S	S	*	*			trans	-115.7	110.8	152.1	0	0	0	0	0	110.5
572	S	26.9	Very low	28.7	Very low	56 Å²	56	130.2 Å²	130.2	39%	0.392	76%	0.758	S	S	.	*			trans	-63.3	130.5	166.1	54.9	0	0	0	0	111.4
573	I	25.6	Very low	28.6	Very low	164 Å²	164	124.8 Å²	124.8	84%	0.841	76%	0.759	S	S	*	*			trans	-94.5	108.8	159.2	-65.8	177.8	0	0	0	108.1
574	S	28.4	Very low	28.8	Very low	63 Å²	63	122.7 Å²	122.7	44%	0.441	75%	0.753	S	S	.	*			trans	-58.4	127.7	142.6	-167.7	0	0	0	0	106.8
575	D	24.4	Very low	28.8	Very low	127 Å²	127	122.7 Å²	122.7	68%	0.679	76%	0.755	S	S	*	*				-177.1	163.8	100.8	-105.4	-15	0	0	0	115.4
576	C	30.8	Very low	29.1	Very low	116 Å²	116	128.4 Å²	128.4	78%	0.784	77%	0.765	S	S	*	*			trans	-52.5	142.4	169	-39.6	0	0	0	0	111
577	G	31.3	Very low	29.1	Very low	59 Å²	59	129 Å²	129	61%	0.608	76%	0.763	S	S	*	*	S	Bend	trans	85.7	109	153.3	0	0	0	0	0	115.7	T579	G577-T579 PolarHBondContact O-N 3Å
578	D	33.1	Very low	29.1	Very low	169 Å²	169	128.7 Å²	128.7	90%	0.904	76%	0.76	S	S	*	*	S	Bend	trans	48.2	62.2	150.5	-55.8	-18.1	0	0	0	117.6
579	T	26.1	Very low	29.4	Very low	128 Å²	128	123.5 Å²	123.5	79%	0.785	74%	0.742	S	S	*	*			trans	-152.3	133.8	158.4	33.7	0	0	0	0	110.2	G577	G577-T579 PolarHBondContact O-N 3Å
580	I	28.2	Very low	29.7	Very low	157 Å²	157	122.8 Å²	122.8	81%	0.805	74%	0.739	S	S	*	*			trans	-112.8	118.8	176.1	-61.2	174.2	0	0	0	107.7	I582	I580-I582 HydrophobicContact CG2-CD1 4.32Å; I580-I582 HydrophobicContact CG2-CG1 4.03Å
581	T	26.3	Very low	30.2	Very low	140 Å²	140	126 Å²	126	86%	0.859	74%	0.743	S	S	*	*			trans	-110.3	133.6	169.7	37.3	0	0	0	0	109.3
582	I	29.4	Very low	30.6	Very low	146 Å²	146	125.6 Å²	125.6	75%	0.749	73%	0.73	S	S	*	*			trans	-125.8	127.9	177.6	-56.4	175.5	0	0	0	107.6	I580 T584	I580-I582 HydrophobicContact CG2-CD1 4.32Å; I580-I582 HydrophobicContact CG2-CG1 4.03Å; I582-T584 HydrophobicContact CG2-CG2 4.49Å
583	A	25.2	Very low	30.9	Very low	102 Å²	102	126 Å²	126	84%	0.843	74%	0.737	S	S	*	*			trans	-101.3	133.8	171.3	0	0	0	0	0	109.5
584	T	32	Very low	31.6	Very low	119 Å²	119	126 Å²	126	73%	0.73	74%	0.735	S	S	*	*			trans	-127.6	144	169.2	51	0	0	0	0	110.1	I582	I582-T584 HydrophobicContact CG2-CG2 4.49Å
585	P	31.9	Very low	32	Very low	133 Å²	133	128 Å²	128	86%	0.864	75%	0.745	S	S	*	*			trans	-68.4	155.6	179.5	-14.7	29.3	0	0	0	113.6
586	E	33	Very low	32.4	Very low	186 Å²	186	127.1 Å²	127.1	87%	0.869	74%	0.74	S	S	*	*			trans	-71.4	154.3	-164.8	-67	174.3	144.6	0	0	116.3
587	S	31.2	Very low	32.5	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	73%	0.732	S	S	*	*			trans	80.4	94.9	160.2	94	0	0	0	0	116.9
588	L	32.2	Very low	32.6	Very low	151 Å²	151	127 Å²	127	79%	0.791	74%	0.735	S	S	*	*				-177.8	115.7	85.2	-89.4	166	0	0	0	111.1
589	T	34.8	Very low	32.7	Very low	83 Å²	83	122.8 Å²	122.8	51%	0.509	72%	0.724	S	S	.	*			trans	64.9	87.9	138.1	56.4	0	0	0	0	121.3	Q591 V592	T589-Q591 PolarHBondContact O-N 3.2Å; T589-V592 PolarHBondContact O-N 3.19Å
590	E	37.7	Very low	33.1	Very low	180 Å²	180	123.4 Å²	123.4	84%	0.841	72%	0.722	S	S	*	*	H	α-helix	trans	-54.7	-5	153.3	-105.5	176.9	152.8	0	0	115.5
591	Q	39.1	Very low	33.3	Very low	165 Å²	165	119.6 Å²	119.6	77%	0.771	71%	0.709	S	S	*	*	H	α-helix	trans	-82.2	-14	172.2	-76.3	179.8	-9.4	0	0	113.9	T589 T595	T589-Q591 PolarHBondContact O-N 3.2Å; Q591-T595 PolarHBondContact O-OG1 3.4Å; Q591-T595 VanDerWaalsContact O-OG1 3.12Å
592	V	34.3	Very low	33.5	Very low	86 Å²	86	120.3 Å²	120.3	52%	0.521	71%	0.707	S	S	.	*	H	α-helix	trans	-92.7	-28.4	177.2	-179.4	0	0	0	0	111.7	T589 L596	T589-V592 PolarHBondContact O-N 3.19Å; V592-L596 HydrophobicContact CG1-CD1 4.18Å
593	A	34.2	Very low	33.7	Very low	66 Å²	66	117.5 Å²	117.5	55%	0.545	71%	0.714	S	S	.	*	H	α-helix	trans	-78.1	-33.1	-178.7	0	0	0	0	0	113.9	T595 A597	A593-T595 VanDerWaalsContact C-N 3.31Å; A593-T595 PolarHBondContact O-N 3.18Å; A593-A597 WeakPolarHBondContact O-CB 3.27Å; A593-A597 PolarHBondContact O-N 3.49Å
594	M	39.2	Very low	33.8	Very low	162 Å²	162	118.9 Å²	118.9	80%	0.798	71%	0.712	S	S	*	*	H	α-helix	trans	-69.7	-26.1	175.5	-101.2	175	154.8	0	0	113.2
595	T	36.9	Very low	33.5	Very low	106 Å²	106	120.9 Å²	120.9	65%	0.65	72%	0.718	S	S	*	*	H	α-helix	trans	-85.5	-23.9	-178.3	-41.7	0	0	0	0	112.6	Q591 A593	Q591-T595 PolarHBondContact O-OG1 3.4Å; Q591-T595 VanDerWaalsContact O-OG1 3.12Å; A593-T595 VanDerWaalsContact C-N 3.31Å; A593-T595 PolarHBondContact O-N 3.18Å
596	L	32.7	Very low	33.3	Very low	108 Å²	108	121.9 Å²	121.9	57%	0.565	72%	0.715	S	S	*	*	H	α-helix	trans	-91.5	-24	177.3	-94.8	145.4	0	0	0	113.6	V592	V592-L596 HydrophobicContact CG1-CD1 4.18Å
597	A	33.4	Very low	32.9	Very low	74 Å²	74	116.8 Å²	116.8	61%	0.612	71%	0.705	S	S	*	*	H	α-helix	trans	-78.3	-18.1	178.1	0	0	0	0	0	114.2	A593	A593-A597 WeakPolarHBondContact O-CB 3.27Å; A593-A597 PolarHBondContact O-N 3.49Å
598	S	34.3	Very low	32.6	Very low	98 Å²	98	117.7 Å²	117.7	69%	0.685	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-10.5	175.4	-168.9	0	0	0	0	113.7
599	A	34.6	Very low	32.2	Very low	81 Å²	81	117 Å²	117	67%	0.669	71%	0.708	S	S	*	*	S	Bend	trans	-101	-0.5	-173.5	0	0	0	0	0	114.3
600	I	33.8	Very low	31.8	Very low	142 Å²	142	116.1 Å²	116.1	73%	0.728	72%	0.715	S	S	*	*	S	Bend	trans	-120	4.3	-177.6	-60.8	178.5	0	0	0	112.5
601	S	32.6	Very low	31.3	Very low	77 Å²	77	114.7 Å²	114.7	54%	0.538	72%	0.719	S	S	.	*	S	Bend	trans	-112.1	41.1	179.4	53.7	0	0	0	0	113.9
602	D	32	Very low	30.8	Very low	155 Å²	155	110.8 Å²	110.8	83%	0.829	72%	0.715	S	S	*	*			trans	-167.8	73.7	154.3	-88	-27.3	0	0	0	111.9	T604	D602-T604 PolarHBondContact O-N 2.94Å; D602-T604 VanDerWaalsContact O-N 3.09Å
603	G	32.1	Very low	30.5	Very low	86 Å²	86	115.6 Å²	115.6	89%	0.887	73%	0.732	S	S	*	*			trans	-78.3	76	170.5	0	0	0	0	0	112.9
604	T	27.9	Very low	30.4	Very low	131 Å²	131	119.9 Å²	119.9	80%	0.804	75%	0.745	S	S	*	*			trans	-128.4	112.3	169	-16.3	0	0	0	0	112.5	D602	D602-T604 PolarHBondContact O-N 2.94Å; D602-T604 VanDerWaalsContact O-N 3.09Å
605	L	24.8	Very low	30	Very low	161 Å²	161	118.3 Å²	118.3	84%	0.843	75%	0.745	S	S	*	*			trans	-85	134.5	174.9	-92.8	170.2	0	0	0	111.4
606	L	27.7	Very low	29.5	Very low	154 Å²	154	116.7 Å²	116.7	81%	0.806	75%	0.749	S	S	*	*			trans	93.4	105.6	146.4	-61.7	167.9	0	0	0	121.5
607	A	24.8	Very low	29	Very low	80 Å²	80	114.9 Å²	114.9	66%	0.661	76%	0.757	S	S	*	*				80	108.7	123.6	0	0	0	0	0	120
608	T	24.7	Very low	28.5	Very low	126 Å²	126	118.7 Å²	118.7	77%	0.773	77%	0.772	S	S	*	*				167.7	138.6	92.4	37	0	0	0	0	112.1
609	T	25.6	Very low	28	Very low	137 Å²	137	120 Å²	120	84%	0.84	78%	0.776	S	S	*	*			trans	62.2	108.2	150.3	57.6	0	0	0	0	121.3
610	G	25.2	Very low	27.4	Very low	63 Å²	63	122.6 Å²	122.6	65%	0.649	78%	0.784	S	S	*	*				113.6	110.2	115.3	0	0	0	0	0	119.4
611	T	26.9	Very low	26.8	Very low	151 Å²	151	123.5 Å²	123.5	93%	0.926	79%	0.787	S	S	*	*			trans	72.8	134.5	149.9	68.1	0	0	0	0	117.5
612	A	28.5	Very low	26.3	Very low	82 Å²	82	126.2 Å²	126.2	68%	0.678	80%	0.8	S	S	*	*			cis	-162.1	129	1.8	0	0	0	0	0	106.8
613	E	29.7	Very low	26.1	Very low	188 Å²	188	124 Å²	124	88%	0.879	79%	0.792	S	S	*	*				105.4	94.6	115.7	-81.3	-179.3	-172.6	0	0	114.9
614	D	30.9	Very low	25.9	Very low	155 Å²	155	125.6 Å²	125.6	83%	0.829	79%	0.785	S	S	*	*				30.2	153.2	121.3	-84.9	6	0	0	0	121.4
615	V	30.9	Very low	26	Very low	130 Å²	130	127 Å²	127	79%	0.788	78%	0.782	S	S	*	*			cis	179.8	153	-13.3	134.3	0	0	0	0	104.4
616	G	25.9	Very low	26.3	Very low	71 Å²	71	127.7 Å²	127.7	73%	0.732	78%	0.781	S	S	*	*			trans	118.5	102.6	145.1	0	0	0	0	0	116.4
617	G	23.3	Very low	26.4	Very low	71 Å²	71	124.6 Å²	124.6	73%	0.732	78%	0.778	S	S	*	*			trans	-84.6	172.6	169.3	0	0	0	0	0	114
618	T	22.7	Very low	26.6	Very low	153 Å²	153	126.5 Å²	126.5	94%	0.939	78%	0.781	S	S	*	*			trans	-167.2	146.6	140.4	-3.5	0	0	0	0	111.4
619	V	23.1	Very low	26.9	Very low	125 Å²	125	129.5 Å²	129.5	76%	0.758	79%	0.786	S	S	*	*			trans	-83.1	151.1	-178.6	172.5	0	0	0	0	110.8
620	T	21.7	Very low	27	Very low	137 Å²	137	126.8 Å²	126.8	84%	0.84	79%	0.785	S	S	*	*			trans	-133.5	121.5	153	37	0	0	0	0	111.7
621	M	21.9	Very low	27.1	Very low	161 Å²	161	131.5 Å²	131.5	79%	0.793	79%	0.794	S	S	*	*			trans	-91.1	143.2	156.3	-77.1	-87.7	-76	0	0	107.4
622	V	22.8	Very low	27.1	Very low	134 Å²	134	133.5 Å²	133.5	81%	0.812	79%	0.792	S	S	*	*			trans	-132.4	121.8	163.5	-178.9	0	0	0	0	108.8
623	T	27.3	Very low	27	Very low	107 Å²	107	137 Å²	137	66%	0.656	80%	0.797	S	S	*	*			trans	-122.5	162.4	163.8	45.4	0	0	0	0	108.7
624	T	27.1	Very low	26.9	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	79%	0.789	S	S	*	*			trans	85.6	145.8	168.5	75.6	0	0	0	0	115.3
625	E	30.8	Very low	26.8	Very low	160 Å²	160	133.6 Å²	133.6	75%	0.748	78%	0.784	S	S	*	*			cis	-173.7	159.2	-15.4	-112.4	177.4	-173.7	0	0	105.6
626	E	31.8	Very low	26.7	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	78%	0.784	S	S	*	*			trans	55.2	128.1	151	-63.7	-175.8	162.6	0	0	123.3
627	A	29	Very low	26.9	Very low	89 Å²	89	140.8 Å²	140.8	74%	0.736	79%	0.79	S	S	*	*				151.6	119.9	110.4	0	0	0	0	0	115.6
628	V	29.3	Very low	27.1	Very low	121 Å²	121	145.6 Å²	145.6	73%	0.733	79%	0.793	S	S	*	*				76.2	111.9	126.4	-176.7	0	0	0	0	121.9
629	E	30.8	Very low	27.3	Very low	189 Å²	189	144.9 Å²	144.9	88%	0.883	78%	0.779	S	S	*	*			trans	58.2	139.9	135	-63.1	175.3	177.5	0	0	124
630	G	27.2	Very low	27.4	Very low	79 Å²	79	147.8 Å²	147.8	81%	0.814	78%	0.778	S	S	*	*			trans	157.3	87.3	152.4	0	0	0	0	0	116.7
631	I	28.2	Very low	27.6	Very low	163 Å²	163	146.3 Å²	146.3	84%	0.836	77%	0.768	S	S	*	*			trans	-59.7	137.4	171.6	-64.5	156.7	0	0	0	112.1
632	Q	26.4	Very low	28	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	77%	0.765	S	S	*	*				-170.9	138.9	119.9	-136.9	157.4	7.2	0	0	114.6
633	M	26.9	Very low	28.2	Very low	155 Å²	155	145.7 Å²	145.7	76%	0.764	77%	0.768	S	S	*	*			trans	-76.9	170.5	-179.6	-61.5	-167.4	64.9	0	0	114.2
634	V	26.4	Very low	28.4	Very low	120 Å²	120	145.5 Å²	145.5	73%	0.727	77%	0.771	S	S	*	*			trans	152.7	105.9	135.1	161.3	0	0	0	0	105.8
635	Q	29.1	Very low	29.1	Very low	153 Å²	153	144.8 Å²	144.8	72%	0.715	77%	0.768	S	S	*	*				110.6	148.3	57.1	-101.8	-176.6	-13.9	0	0	110.4
636	Q	29.8	Very low	29.1	Very low	169 Å²	169	145 Å²	145	79%	0.79	77%	0.769	S	S	*	*			trans	97	101.1	169.1	-55.2	176.6	13.7	0	0	113.7
637	Q	28.8	Very low	29.1	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	77%	0.771	S	S	*	*				53.5	127.8	62.2	-64	-178.2	-40.7	0	0	110.7
638	E	27.7	Very low	29.3	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	77%	0.774	S	S	*	*			cis	-158.6	143.8	44.6	-67.5	171	158.7	0	0	107.3
639	E	26.5	Very low	29.3	Very low	139 Å²	139	150.5 Å²	150.5	65%	0.65	78%	0.78	S	S	*	*				99.3	139.9	61.2	-141.5	-175.2	177.7	0	0	114
640	Y	26.7	Very low	29.4	Very low	185 Å²	185	148.7 Å²	148.7	73%	0.725	78%	0.775	S	S	*	*			trans	78.1	147.2	167.2	-66.4	-80.4	0	0	0	120.5
641	V	24.4	Very low	29.5	Very low	106 Å²	106	153 Å²	153	64%	0.642	77%	0.774	S	S	*	*			cis	-171.7	146.7	-24.4	120.8	0	0	0	0	108.3
642	I	30.2	Very low	29.7	Very low	141 Å²	141	151.6 Å²	151.6	72%	0.723	77%	0.773	S	S	*	*			trans	28.2	125.6	152.2	-50	164.2	0	0	0	119.8
643	T	27.3	Very low	29.8	Very low	141 Å²	141	148.2 Å²	148.2	87%	0.865	77%	0.766	S	S	*	*				-170	120.3	126.4	21.5	0	0	0	0	111.3
644	S	32.6	Very low	30	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	77%	0.768	S	S	*	*			trans	-76.9	156.4	148.8	59.4	0	0	0	0	108.1
645	P	41.3	Very low	30.4	Very low	106 Å²	106	151.2 Å²	151.2	69%	0.688	79%	0.792	S	S	*	*				-154.9	-168.3	55.9	38.5	-14.1	0	0	0	115.8
646	E	30.1	Very low	30.4	Very low	164 Å²	164	151.1 Å²	151.1	77%	0.766	80%	0.796	S	S	*	*			trans	96.5	107.7	154.3	-72.2	171.9	-178.9	0	0	120.8
647	E	32.7	Very low	30.5	Very low	185 Å²	185	150.2 Å²	150.2	86%	0.864	80%	0.796	S	S	*	*				37.4	113.1	124.4	-58.3	-174.2	169.5	0	0	118.9
648	V	33.1	Very low	30.5	Very low	132 Å²	132	148.4 Å²	148.4	80%	0.8	79%	0.793	S	S	*	*			trans	-131.3	107.7	156.3	-177.6	0	0	0	0	109.6
649	E	29.6	Very low	30.7	Very low	184 Å²	184	147 Å²	147	86%	0.86	79%	0.792	S	S	*	*			trans	-61.2	126.2	159.8	-69.7	-179.7	141.3	0	0	109.6
650	I	33	Very low	31	Very low	151 Å²	151	147.5 Å²	147.5	77%	0.774	80%	0.801	S	S	*	*			trans	-95.2	100.5	170	-58.8	176.8	0	0	0	108	T652	I650-T652 PolarHBondContact O-N 3.38Å
651	Q	29.6	Very low	31.3	Very low	170 Å²	170	145 Å²	145	79%	0.794	81%	0.806	S	S	*	*			trans	-66.8	119	161	-92.5	178.3	-3.3	0	0	109.4
652	T	30.9	Very low	31.8	Very low	133 Å²	133	147.8 Å²	147.8	82%	0.816	82%	0.818	S	S	*	*			trans	-89.4	112.9	160.2	30.5	0	0	0	0	108.4	I650	I650-T652 PolarHBondContact O-N 3.38Å
653	V	28.2	Very low	31.9	Very low	122 Å²	122	148.3 Å²	148.3	74%	0.739	83%	0.825	S	S	*	*			trans	-84.8	127.8	168.8	175.4	0	0	0	0	107.7
654	V	31.4	Very low	32.3	Very low	135 Å²	135	148.9 Å²	148.9	82%	0.818	82%	0.822	S	S	*	*			trans	-82.4	121.8	170.2	176.4	0	0	0	0	108.7
655	V	34.4	Very low	32.2	Very low	202 Å²	202	153.1 Å²	153.1	100%	1.224	83%	0.831	S	S	*	*			trans	-141.9	0	144.5	-177.5	0	0	0	0	108.2

Retrieved 655 of 655 residues in 261.6 ms (Link to these results)

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