C4QPQ0_SCHMA Loading...

Axonemal dynein intermediate chain, putative

AlphaFold DB , UniProt , Accession C4QPQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 625 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	40.7	Very low	67	Low	248 Å²	248	164.5 Å²	164.5	100%	1.222	82%	0.818	S	S	*	*				0	94.5	0	-86	-176.2	-110	0	0	106.9	A3	M1-A3 PolarHBondContact O-N 3.39Å
2	E	50.7	Low	68.3	Low	197 Å²	197	159.3 Å²	159.3	92%	0.921	81%	0.809	S	S	*	*			trans	-78.6	113.1	170.7	-75.5	179.6	159.2	0	0	107.9	S4	E2-S4 PolarHBondContact O-N 3.31Å; E2-S4 VanDerWaalsContact O-N 3.11Å
3	A	52.7	Low	68.7	Low	107 Å²	107	152.1 Å²	152.1	88%	0.884	77%	0.77	S	S	*	*			trans	-73.9	97.1	176.6	0	0	0	0	0	109.3	M1	M1-A3 PolarHBondContact O-N 3.39Å
4	S	68.1	Low	68.7	Low	108 Å²	108	151.6 Å²	151.6	76%	0.755	76%	0.761	S	S	*	*			trans	-83.6	112.5	171.6	62.5	0	0	0	0	110.3	E2	E2-S4 PolarHBondContact O-N 3.31Å; E2-S4 VanDerWaalsContact O-N 3.11Å
5	Y	72.3	Confident	69.1	Low	183 Å²	183	147.5 Å²	147.5	72%	0.718	77%	0.771	S	S	*	*			trans	-92.1	121.1	171.3	-172.4	-92.6	0	0	0	109.9	Y7	Y5-Y7 HydrophobicContact CD1-CD1 4.45Å; Y5-Y7 AromaticContact CD1-CD2 3.87Å; Y5-Y7 HydrophobicContact CD1-CD2 3.87Å; Y5-Y7 HydrophobicContact CD1-CE1 4.26Å; Y5-Y7 AromaticContact CD1-CE2 3.65Å; Y5-Y7 HydrophobicContact CD1-CE2 3.65Å; Y5-Y7 HydrophobicContact CD1-CG 4.27Å; Y5-Y7 AromaticContact CD1-CZ 3.85Å; Y5-Y7 AromaticContact CE1-CD1 3.84Å; Y5-Y7 HydrophobicContact CE1-CD1 3.84Å; Y5-Y7 HydrophobicContact CE1-CD2 4.09Å; Y5-Y7 AromaticContact CE1-CE1 3.66Å; Y5-Y7 HydrophobicContact CE1-CE1 3.66Å; Y5-Y7 AromaticContact CE1-CE2 3.92Å; Y5-Y7 HydrophobicContact CE1-CE2 3.92Å; Y5-Y7 HydrophobicContact CE1-CG 4.05Å; Y5-Y7 AromaticContact CE1-CZ 3.7Å
6	V	72.5	Confident	69.3	Low	121 Å²	121	149.8 Å²	149.8	73%	0.733	77%	0.766	S	S	*	*			trans	-99.8	117.9	178.5	-179.9	0	0	0	0	109.5	A8	V6-A8 PolarHBondContact O-N 3.21Å
7	Y	70.4	Confident	69.9	Low	206 Å²	206	151.1 Å²	151.1	81%	0.808	77%	0.769	S	S	*	*			trans	-77.7	114.9	172.2	-73.2	-89.7	0	0	0	110.5	Y5	Y5-Y7 HydrophobicContact CD1-CD1 4.45Å; Y5-Y7 AromaticContact CD1-CD2 3.87Å; Y5-Y7 HydrophobicContact CD1-CD2 3.87Å; Y5-Y7 HydrophobicContact CD1-CE1 4.26Å; Y5-Y7 AromaticContact CD1-CE2 3.65Å; Y5-Y7 HydrophobicContact CD1-CE2 3.65Å; Y5-Y7 HydrophobicContact CD1-CG 4.27Å; Y5-Y7 AromaticContact CD1-CZ 3.85Å; Y5-Y7 AromaticContact CE1-CD1 3.84Å; Y5-Y7 HydrophobicContact CE1-CD1 3.84Å; Y5-Y7 HydrophobicContact CE1-CD2 4.09Å; Y5-Y7 AromaticContact CE1-CE1 3.66Å; Y5-Y7 HydrophobicContact CE1-CE1 3.66Å; Y5-Y7 AromaticContact CE1-CE2 3.92Å; Y5-Y7 HydrophobicContact CE1-CE2 3.92Å; Y5-Y7 HydrophobicContact CE1-CG 4.05Å; Y5-Y7 AromaticContact CE1-CZ 3.7Å
8	A	79.7	Confident	70	Confident	101 Å²	101	147.1 Å²	147.1	84%	0.835	76%	0.756	S	S	*	*			trans	-105	136.9	172.2	0	0	0	0	0	111	V6	V6-A8 PolarHBondContact O-N 3.21Å
9	R	73.8	Confident	70.2	Confident	160 Å²	160	147.1 Å²	147.1	60%	0.604	76%	0.757	S	S	*	*			trans	-132.2	144.5	178.2	-153.3	176.2	-173.4	176.5	2.8	110	E13 F14	R9-E13 HydrophobicContact CG-CB 4.2Å; R9-E13 WeakPolarHBondContact CG-OE2 3.39Å; R9-E13 IonicContact NE-OE2 2.72Å; R9-F14 HydrophobicContact CB-CE2 4.09Å
10	K	80.1	Confident	70.2	Confident	148 Å²	148	149.5 Å²	149.5	64%	0.643	76%	0.762	S	S	*	*			trans	-67.4	138.8	179.2	-74.3	-179.5	178.6	176	0	110.5	S12 E13 F14	K10-S12 PolarHBondContact O-N 3.47Å; K10-S12 VanDerWaalsContact O-N 3.12Å; K10-E13 HydrophobicContact CB-CG 4.18Å; K10-E13 WeakPolarHBondContact O-CB 3.46Å; K10-E13 PolarHBondContact O-N 3.35Å; K10-F14 WeakPolarHBondContact O-CD2 3.43Å
11	R	76	Confident	70.6	Confident	231 Å²	231	146.5 Å²	146.5	87%	0.872	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-54.8	-31.5	177.9	-169.6	170.8	179.8	104.4	-2.3	113.3	E13 F14	R11-E13 PolarHBondContact O-N 3.23Å; R11-F14 PolarHBondContact O-N 2.91Å
12	S	82.6	Confident	72.4	Confident	102 Å²	102	142.9 Å²	142.9	71%	0.713	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-66.7	-15.6	174.7	57.1	0	0	0	0	114.5	K10	K10-S12 PolarHBondContact O-N 3.47Å; K10-S12 VanDerWaalsContact O-N 3.12Å
13	E	73.9	Confident	73	Confident	65 Å²	65	140.3 Å²	140.3	30%	0.304	73%	0.726	S	S	.	*	G	3₁₀ helix	trans	-100.6	-5.8	-179.6	-62.2	175	-171.4	0	0	112.7	R9 K10 R11 R16	R9-E13 HydrophobicContact CG-CB 4.2Å; R9-E13 WeakPolarHBondContact CG-OE2 3.39Å; R9-E13 IonicContact NE-OE2 2.72Å; K10-E13 HydrophobicContact CB-CG 4.18Å; K10-E13 WeakPolarHBondContact O-CB 3.46Å; K10-E13 PolarHBondContact O-N 3.35Å; R11-E13 PolarHBondContact O-N 3.23Å; E13-R16 PolarHBondContact O-N 3.12Å
14	F	69.1	Low	74.2	Confident	146 Å²	146	142.2 Å²	142.2	64%	0.64	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	128.8	170.1	-79.1	-105.3	0	0	0	109.1	R9 K10 R11	R9-F14 HydrophobicContact CB-CE2 4.09Å; K10-F14 WeakPolarHBondContact O-CD2 3.43Å; R11-F14 PolarHBondContact O-N 2.91Å
15	G	73.6	Confident	74.3	Confident	89 Å²	89	142.2 Å²	142.2	92%	0.918	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.6	2.2	-178.6	0	0	0	0	0	115.2	Q17	G15-Q17 PolarHBondContact O-N 3.31Å
16	R	73.5	Confident	74.4	Confident	184 Å²	184	139.2 Å²	139.2	69%	0.694	72%	0.721	S	S	*	*			trans	-65.5	132.6	169.3	-152.1	176.8	-171	-175.7	1.8	108.8	E13 C18	E13-R16 PolarHBondContact O-N 3.12Å; R16-C18 PolarHBondContact O-N 3.42Å; R16-C18 VanDerWaalsContact O-N 3.14Å
17	Q	78.4	Confident	74.5	Confident	172 Å²	172	140.3 Å²	140.3	80%	0.804	72%	0.721	S	S	*	*			trans	-53.6	120.9	179	-173.1	164.6	-2.4	0	0	110	G15 N19	G15-Q17 PolarHBondContact O-N 3.31Å; Q17-N19 PolarHBondContact O-N 3.25Å; Q17-N19 VanDerWaalsContact O-N 3.08Å
18	C	72.7	Confident	74.6	Confident	79 Å²	79	138.1 Å²	138.1	53%	0.534	72%	0.723	S	S	.	*			trans	-65.8	107.3	174	-67.1	0	0	0	0	108.1	R16 F20	R16-C18 PolarHBondContact O-N 3.42Å; R16-C18 VanDerWaalsContact O-N 3.14Å; C18-F20 VanDerWaalsContact C-N 3.26Å; C18-F20 HydrophobicContact CB-CD2 4.07Å; C18-F20 HydrophobicContact CB-CE2 3.65Å; C18-F20 HydrophobicContact CB-CZ 3.92Å; C18-F20 PolarHBondContact O-N 3.1Å
19	N	72.6	Confident	74.5	Confident	147 Å²	147	139.8 Å²	139.8	79%	0.786	72%	0.716	S	S	*	*			trans	-75.6	86.9	165.5	-85.5	-3	0	0	0	107.8	Q17 S21	Q17-N19 PolarHBondContact O-N 3.25Å; Q17-N19 VanDerWaalsContact O-N 3.08Å; N19-S21 VanDerWaalsContact C-N 3.33Å; N19-S21 PolarHBondContact O-N 3.5Å
20	F	71.3	Confident	74.7	Confident	195 Å²	195	139.3 Å²	139.3	86%	0.855	72%	0.721	S	S	*	*			trans	-66.5	99.2	161.8	-62.4	-73.2	0	0	0	107.2	C18	C18-F20 VanDerWaalsContact C-N 3.26Å; C18-F20 HydrophobicContact CB-CD2 4.07Å; C18-F20 HydrophobicContact CB-CE2 3.65Å; C18-F20 HydrophobicContact CB-CZ 3.92Å; C18-F20 PolarHBondContact O-N 3.1Å
21	S	78.4	Confident	74.5	Confident	88 Å²	88	139.6 Å²	139.6	62%	0.615	73%	0.727	S	S	*	*			trans	-94.9	138.9	161.2	57.4	0	0	0	0	107.4	N19 K23	N19-S21 VanDerWaalsContact C-N 3.33Å; N19-S21 PolarHBondContact O-N 3.5Å; S21-K23 VanDerWaalsContact C-N 3.32Å; S21-K23 PolarHBondContact O-N 3.49Å
22	D	77.6	Confident	74.7	Confident	171 Å²	171	134.7 Å²	134.7	91%	0.914	72%	0.718	S	S	*	*			trans	-55.6	102.3	162.4	-68.7	-32.3	0	0	0	107.5
23	K	63.3	Low	74.1	Confident	143 Å²	143	135.5 Å²	135.5	62%	0.622	72%	0.721	S	S	*	*			trans	-91.4	129	174.7	-144.9	-172.4	-178	-157.6	0	105.8	S21 E26	S21-K23 VanDerWaalsContact C-N 3.32Å; S21-K23 PolarHBondContact O-N 3.49Å; K23-E26 WeakPolarHBondContact CE-OE1 3.44Å; K23-E26 IonicContact NZ-OE1 2.76Å; K23-E26 PolarHBondContact NZ-OE1 3.02Å; K23-E26 IonicContact NZ-OE2 3.95Å; K23-E26 PolarHBondContact NZ-OE2 3.24Å
24	N	77.8	Confident	74.2	Confident	148 Å²	148	136.5 Å²	136.5	79%	0.791	73%	0.728	S	S	*	*			trans	-54.5	144.6	171.1	-67	-20.7	0	0	0	109.1	E26	N24-E26 PolarHBondContact O-N 2.95Å
25	A	71.1	Confident	74.5	Confident	108 Å²	108	133.1 Å²	133.1	89%	0.893	73%	0.727	S	S	*	*			trans	-53.5	113.7	177.3	0	0	0	0	0	110.1
26	E	73.8	Confident	74.7	Confident	120 Å²	120	135.8 Å²	135.8	56%	0.561	72%	0.716	S	S	*	*			trans	-96.7	124.9	169.8	-80.9	172.6	-178.7	0	0	107.8	K23 N24 L28	K23-E26 WeakPolarHBondContact CE-OE1 3.44Å; K23-E26 IonicContact NZ-OE1 2.76Å; K23-E26 PolarHBondContact NZ-OE1 3.02Å; K23-E26 IonicContact NZ-OE2 3.95Å; K23-E26 PolarHBondContact NZ-OE2 3.24Å; N24-E26 PolarHBondContact O-N 2.95Å; E26-L28 PolarHBondContact O-N 2.96Å
27	I	75.6	Confident	74.7	Confident	144 Å²	144	132.9 Å²	132.9	74%	0.738	71%	0.713	S	S	*	*			trans	-71.3	100.8	170.9	-62.6	169.4	0	0	0	106.6	E30	I27-E30 HydrophobicContact CG2-CB 4.29Å
28	L	72.3	Confident	74.3	Confident	160 Å²	160	132.3 Å²	132.3	84%	0.838	71%	0.709	S	S	*	*	S	Bend	trans	-73.2	-34.5	178.8	-70.7	170.3	0	0	0	112	E26	E26-L28 PolarHBondContact O-N 2.96Å
29	I	77.5	Confident	74.5	Confident	135 Å²	135	136.4 Å²	136.4	69%	0.692	72%	0.72	S	S	*	*			trans	-146.7	131.4	179.9	-67.6	-179.2	0	0	0	107.6	I31	I29-I31 HydrophobicContact CG2-CG1 3.84Å
30	E	77.7	Confident	74.5	Confident	151 Å²	151	135.6 Å²	135.6	71%	0.706	72%	0.716	S	S	*	*			trans	-103.7	112.9	168.3	-175.3	175	-170.6	0	0	107.7	I27 L32	I27-E30 HydrophobicContact CG2-CB 4.29Å; E30-L32 HydrophobicContact CG-CD2 4.4Å
31	I	76.9	Confident	74.6	Confident	153 Å²	153	133.2 Å²	133.2	79%	0.785	71%	0.705	S	S	*	*			trans	-92.5	105.5	174.9	-55.9	177	0	0	0	106.9	I29	I29-I31 HydrophobicContact CG2-CG1 3.84Å
32	L	78.3	Confident	74.5	Confident	129 Å²	129	134.6 Å²	134.6	68%	0.675	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-70.8	143.2	176.2	-67.6	170.5	0	0	0	110.5	E30	E30-L32 HydrophobicContact CG-CD2 4.4Å
33	P	71.1	Confident	74.4	Confident	119 Å²	119	134 Å²	134	77%	0.773	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-63.1	138.2	178.2	24.7	-32.2	0	0	0	111.3	A35	P33-A35 PolarHBondContact O-N 3.22Å
34	D	74.9	Confident	74.5	Confident	85 Å²	85	133.9 Å²	133.9	46%	0.455	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-71.6	118.8	174	-171.2	-11.3	0	0	0	110.2	E36 L37 F38	D34-E36 PolarHBondContact O-N 2.86Å; D34-E36 PolarHBondContact OD1-N 2.91Å; D34-L37 HydrophobicContact CB-CB 4.3Å; D34-L37 HydrophobicContact CB-CD1 3.92Å; D34-L37 HydrophobicContact CB-CG 4.04Å; D34-L37 PolarHBondContact O-N 3.23Å; D34-F38 PolarHBondContact O-N 3.03Å
35	A	77.2	Confident	74.3	Confident	75 Å²	75	133.8 Å²	133.8	62%	0.62	70%	0.704	S	S	*	*	H	α-helix	trans	-64.1	-24.7	-178.6	0	0	0	0	0	112.6	P33 F38	P33-A35 PolarHBondContact O-N 3.22Å; A35-F38 PolarHBondContact O-N 3.4Å
36	E	77.9	Confident	74.5	Confident	146 Å²	146	134 Å²	134	68%	0.682	70%	0.696	S	S	*	*	H	α-helix	trans	-71.5	-36	176.8	-62.3	-173.2	177	0	0	111.4	D34 F38 Q39	D34-E36 PolarHBondContact O-N 2.86Å; D34-E36 PolarHBondContact OD1-N 2.91Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-Q39 PolarHBondContact O-N 3.23Å
37	L	71.9	Confident	74.1	Confident	122 Å²	122	131.7 Å²	131.7	64%	0.639	69%	0.69	S	S	*	*	H	α-helix	trans	-72.1	-29.2	176.5	-66.4	177.7	0	0	0	112.2	D34 Q39 N40	D34-L37 HydrophobicContact CB-CB 4.3Å; D34-L37 HydrophobicContact CB-CD1 3.92Å; D34-L37 HydrophobicContact CB-CG 4.04Å; D34-L37 PolarHBondContact O-N 3.23Å; L37-Q39 VanDerWaalsContact C-N 3.31Å; L37-Q39 PolarHBondContact O-N 3.41Å; L37-N40 PolarHBondContact O-N 3.34Å
38	F	70.2	Confident	74	Confident	161 Å²	161	132.7 Å²	132.7	71%	0.706	70%	0.697	S	S	*	*	H	α-helix	trans	-64.5	-33	177.2	-171.8	-98.1	0	0	0	112.9	D34 A35 E36 N40 F41	D34-F38 PolarHBondContact O-N 3.03Å; A35-F38 PolarHBondContact O-N 3.4Å; E36-F38 VanDerWaalsContact C-N 3.33Å; F38-N40 PolarHBondContact O-N 2.86Å; F38-F41 WeakPolarHBondContact O-CB 3.39Å; F38-F41 PolarHBondContact O-N 2.69Å
39	Q	76.4	Confident	73.7	Confident	164 Å²	164	133.2 Å²	133.2	77%	0.766	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-22.5	179.2	-66.9	-176.4	13.6	0	0	113.4	E36 L37 F41	E36-Q39 PolarHBondContact O-N 3.23Å; L37-Q39 VanDerWaalsContact C-N 3.31Å; L37-Q39 PolarHBondContact O-N 3.41Å; Q39-F41 VanDerWaalsContact C-N 3.33Å
40	N	74	Confident	73.6	Confident	131 Å²	131	130.9 Å²	130.9	70%	0.701	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	8.5	-179.9	-64.7	-38.4	0	0	0	112.9	L37 F38 V42	L37-N40 PolarHBondContact O-N 3.34Å; F38-N40 PolarHBondContact O-N 2.86Å; N40-V42 PolarHBondContact O-N 2.96Å
41	F	72.5	Confident	73.3	Confident	145 Å²	145	130.8 Å²	130.8	64%	0.636	70%	0.704	S	S	*	*			trans	-71.7	125.6	177.8	175.5	-98.3	0	0	0	111.4	F38 Q39 E43	F38-F41 WeakPolarHBondContact O-CB 3.39Å; F38-F41 PolarHBondContact O-N 2.69Å; Q39-F41 VanDerWaalsContact C-N 3.33Å; F41-E43 HydrophobicContact CE1-CB 4.2Å; F41-E43 HydrophobicContact CZ-CB 4.34Å
42	V	75.7	Confident	73.1	Confident	116 Å²	116	131 Å²	131	70%	0.703	70%	0.702	S	S	*	*			trans	-125.5	123.2	171.5	-178.8	0	0	0	0	108.7	N40 M44	N40-V42 PolarHBondContact O-N 2.96Å; V42-M44 PolarHBondContact O-N 3.48Å
43	E	76.6	Confident	72.8	Confident	160 Å²	160	131.6 Å²	131.6	75%	0.748	71%	0.711	S	S	*	*			trans	-72.2	123.5	176.4	-170.1	178.6	179.1	0	0	110.1	F41	F41-E43 HydrophobicContact CE1-CB 4.2Å; F41-E43 HydrophobicContact CZ-CB 4.34Å
44	M	65.2	Low	72.8	Confident	139 Å²	139	128.7 Å²	128.7	69%	0.685	69%	0.693	S	S	*	*			trans	-118.1	131.8	173.5	-70	-152.5	-65.9	0	0	110.2	V42 V47	V42-M44 PolarHBondContact O-N 3.48Å; M44-V47 HydrophobicContact CB-CG2 3.91Å; M44-V47 WeakPolarHBondContact O-CG2 3.46Å
45	N	74.4	Confident	72.6	Confident	146 Å²	146	133.1 Å²	133.1	78%	0.781	71%	0.711	S	S	*	*	S	Bend	trans	-158.4	123.9	176.4	-176.6	8	0	0	0	109.7
46	P	73.6	Confident	72.2	Confident	113 Å²	113	138.7 Å²	138.7	73%	0.734	73%	0.725	S	S	*	*	S	Bend	cis	-74	145.7	-2.4	30.7	-33.8	0	0	0	112.1
47	V	67.1	Low	72.2	Confident	72 Å²	72	140.1 Å²	140.1	44%	0.436	73%	0.733	S	S	.	*			trans	-99.5	104.1	174.3	-178.8	0	0	0	0	107.9	M44 K49	M44-V47 HydrophobicContact CB-CG2 3.91Å; M44-V47 WeakPolarHBondContact O-CG2 3.46Å; V47-K49 HydrophobicContact CG1-CD 4.04Å; V47-K49 HydrophobicContact CG1-CG 3.83Å; V47-K49 PolarHBondContact O-N 2.93Å; V47-K49 VanDerWaalsContact O-N 3.09Å
48	D	73.1	Confident	72.4	Confident	165 Å²	165	138.6 Å²	138.6	88%	0.882	73%	0.733	S	S	*	*			trans	-73.5	95.7	167.2	-80.8	-25.5	0	0	0	108.9
49	K	66.6	Low	72.8	Confident	171 Å²	171	139.8 Å²	139.8	74%	0.743	74%	0.741	S	S	*	*			trans	-101.1	116.6	167.9	-91.1	172.1	-178.7	-175.8	0	108.4	V47 I51	V47-K49 HydrophobicContact CG1-CD 4.04Å; V47-K49 HydrophobicContact CG1-CG 3.83Å; V47-K49 PolarHBondContact O-N 2.93Å; V47-K49 VanDerWaalsContact O-N 3.09Å; K49-I51 PolarHBondContact O-N 2.91Å; K49-I51 VanDerWaalsContact O-N 3.1Å
50	G	75.4	Confident	72.9	Confident	85 Å²	85	138.8 Å²	138.8	88%	0.876	74%	0.736	S	S	*	*			trans	-61.6	111.6	167.6	0	0	0	0	0	109.3
51	I	69.7	Low	73	Confident	149 Å²	149	141.8 Å²	141.8	76%	0.764	75%	0.745	S	S	*	*			trans	-88.6	110.3	172.4	-53.8	169.7	0	0	0	106.2	K49 V53	K49-I51 PolarHBondContact O-N 2.91Å; K49-I51 VanDerWaalsContact O-N 3.1Å; I51-V53 HydrophobicContact CG2-CG2 4.01Å; I51-V53 PolarHBondContact O-N 3.36Å
52	Q	74.3	Confident	73.1	Confident	159 Å²	159	140.3 Å²	140.3	74%	0.743	75%	0.748	S	S	*	*			trans	-78.4	101.9	170.1	-179.8	168.4	-10.5	0	0	108.3	S54	Q52-S54 WeakPolarHBondContact CG-OG 3.5Å; Q52-S54 PolarHBondContact NE2-OG 3.44Å; Q52-S54 PolarHBondContact O-N 3.45Å
53	V	71.2	Confident	73	Confident	141 Å²	141	142.7 Å²	142.7	86%	0.855	76%	0.757	S	S	*	*			trans	-88.1	62.9	166.4	-173.6	0	0	0	0	108.1	I51	I51-V53 HydrophobicContact CG2-CG2 4.01Å; I51-V53 PolarHBondContact O-N 3.36Å
54	S	71.6	Confident	73.1	Confident	58 Å²	58	140.7 Å²	140.7	41%	0.406	76%	0.756	S	S	.	*	S	Bend	trans	-120	148.9	163.1	71	0	0	0	0	107.4	Q52 E56	Q52-S54 WeakPolarHBondContact CG-OG 3.5Å; Q52-S54 PolarHBondContact NE2-OG 3.44Å; Q52-S54 PolarHBondContact O-N 3.45Å; S54-E56 PolarHBondContact O-N 2.92Å
55	Q	69.2	Low	73.6	Confident	177 Å²	177	143.2 Å²	143.2	83%	0.827	77%	0.766	S	S	*	*			trans	-55.3	118	168.3	-83.8	173.7	-42	0	0	109	M57	Q55-M57 PolarHBondContact O-N 3.36Å; Q55-M57 VanDerWaalsContact O-N 3.12Å
56	E	69.5	Low	73.8	Confident	193 Å²	193	147.7 Å²	147.7	90%	0.902	77%	0.772	S	S	*	*			trans	-61.4	112.2	165.7	-73.6	-179.4	164.9	0	0	106.9	S54	S54-E56 PolarHBondContact O-N 2.92Å
57	M	79.1	Confident	74.1	Confident	176 Å²	176	152 Å²	152	87%	0.867	78%	0.775	S	S	*	*			trans	-104.6	122.2	171.1	-62.8	-152.4	-62.7	0	0	107.7	Q55	Q55-M57 PolarHBondContact O-N 3.36Å; Q55-M57 VanDerWaalsContact O-N 3.12Å
58	S	76.1	Confident	74.7	Confident	90 Å²	90	159.2 Å²	159.2	63%	0.629	79%	0.794	S	S	*	*			trans	-109.4	127	170.6	60.8	0	0	0	0	108.8	H60	S58-H60 VanDerWaalsContact CB-CE1 3.48Å; S58-H60 WeakPolarHBondContact CB-CE1 3.45Å; S58-H60 PolarHBondContact OG-CE1 2.87Å
59	E	78.6	Confident	75.2	Confident	186 Å²	186	155.6 Å²	155.6	87%	0.869	78%	0.782	S	S	*	*			trans	-87.1	130.9	168.8	-172.7	170.6	-163.7	0	0	108.8
60	H	78.1	Confident	75.7	Confident	143 Å²	143	154.9 Å²	154.9	66%	0.662	78%	0.781	S	S	*	*			trans	-127.9	121	177.2	-67	7.4	0	0	0	107.7	S58 V62	S58-H60 VanDerWaalsContact CB-CE1 3.48Å; S58-H60 WeakPolarHBondContact CB-CE1 3.45Å; S58-H60 PolarHBondContact OG-CE1 2.87Å; H60-V62 HydrophobicContact CB-CG2 4.34Å; H60-V62 PolarHBondContact O-N 3.27Å
61	E	76.1	Confident	76.1	Confident	193 Å²	193	157.8 Å²	157.8	90%	0.902	78%	0.782	S	S	*	*			trans	-78	115.4	168.2	-69.3	-173.5	171.5	0	0	108.8
62	V	73.8	Confident	76.5	Confident	115 Å²	115	158.3 Å²	158.3	70%	0.697	78%	0.781	S	S	*	*			trans	-119.7	115.8	177.4	178.8	0	0	0	0	108.1	H60 T64	H60-V62 HydrophobicContact CB-CG2 4.34Å; H60-V62 PolarHBondContact O-N 3.27Å; V62-T64 HydrophobicContact CG1-CG2 4.42Å
63	N	74.6	Confident	76.8	Confident	165 Å²	165	154.6 Å²	154.6	88%	0.882	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-97.8	120.2	168.1	-147.3	-1.4	0	0	0	108.1
64	T	78.8	Confident	77.1	Confident	118 Å²	118	155.2 Å²	155.2	72%	0.724	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-97.6	125.9	177.3	25.4	0	0	0	0	109.5	V62 R66	V62-T64 HydrophobicContact CG1-CG2 4.42Å; T64-R66 PolarHBondContact O-N 3.47Å
65	E	74.9	Confident	77.1	Confident	193 Å²	193	159.4 Å²	159.4	90%	0.902	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.6	137.3	164.6	-69.5	-170.6	165.6	0	0	109.4	Y67	E65-Y67 PolarHBondContact O-N 2.96Å
66	R	79.1	Confident	76.8	Confident	240 Å²	240	157.4 Å²	157.4	91%	0.906	79%	0.789	S	S	*	*			trans	-70.3	106.3	-175.2	-159.1	175.3	-166.5	171.7	3.8	110.1	T64 R68	T64-R66 PolarHBondContact O-N 3.47Å; R66-R68 PolarHBondContact O-N 2.94Å
67	Y	80.4	Confident	76.7	Confident	202 Å²	202	154.4 Å²	154.4	79%	0.792	78%	0.784	S	S	*	*			trans	-60.9	127.3	172	-179.5	-110.5	0	0	0	110.5	E65	E65-Y67 PolarHBondContact O-N 2.96Å
68	R	79.5	Confident	75.8	Confident	224 Å²	224	153 Å²	153	85%	0.845	78%	0.775	S	S	*	*			trans	-98	116	171.7	-66.2	-174.9	-178.7	-170.7	1.1	108.5	R66	R66-R68 PolarHBondContact O-N 2.94Å
69	S	83.8	Confident	75.2	Confident	90 Å²	90	151 Å²	151	63%	0.629	77%	0.769	S	S	*	*			trans	-109.2	138.6	169.9	61	0	0	0	0	110.7
70	E	77.2	Confident	74.9	Confident	155 Å²	155	146.5 Å²	146.5	72%	0.724	77%	0.772	S	S	*	*			trans	-124.3	132.3	177	-68.4	179.6	176.4	0	0	111	H72	E70-H72 PolarHBondContact O-ND1 2.89Å; E70-H72 IonicContact OE2-CE1 2.59Å
71	T	82.7	Confident	75.1	Confident	147 Å²	147	143.4 Å²	143.4	90%	0.902	76%	0.755	S	S	*	*			trans	-87.9	122.6	175.6	-49	0	0	0	0	109.6
72	H	77.7	Confident	75.3	Confident	160 Å²	160	136.2 Å²	136.2	74%	0.741	73%	0.725	S	S	*	*			trans	-105.1	131.2	176.3	-68.8	65.6	0	0	0	110.3	E70	E70-H72 PolarHBondContact O-ND1 2.89Å; E70-H72 IonicContact OE2-CE1 2.59Å
73	G	80.5	Confident	75.7	Confident	80 Å²	80	140.9 Å²	140.9	83%	0.825	74%	0.736	S	S	*	*			trans	-116.1	156.3	169.8	0	0	0	0	0	111.1
74	M	78.3	Confident	76	Confident	154 Å²	154	140 Å²	140	76%	0.759	73%	0.731	S	S	*	*			trans	-111.7	118.4	176.4	-172.5	168.7	61.4	0	0	109.9	H76	M74-H76 WeakPolarHBondContact CE-NE2 3.38Å
75	N	70.7	Confident	76.2	Confident	147 Å²	147	135.3 Å²	135.3	79%	0.786	70%	0.702	S	S	*	*			trans	-96.3	113	173.3	-85	-14.1	0	0	0	109.8	T77	N75-T77 HydrophobicContact CB-CG2 4.35Å; N75-T77 PolarHBondContact O-N 2.92Å
76	H	62.8	Low	76.6	Confident	135 Å²	135	129 Å²	129	63%	0.625	68%	0.675	S	S	*	*			trans	-78.9	116.4	165.9	-76.4	-123.5	0	0	0	108.5	M74	M74-H76 WeakPolarHBondContact CE-NE2 3.38Å
77	T	67.5	Low	76.7	Confident	129 Å²	129	120.7 Å²	120.7	79%	0.791	65%	0.652	S	S	*	*			trans	-111.5	40.5	-171.8	44.2	0	0	0	0	112	N75 G79	N75-T77 HydrophobicContact CB-CG2 4.35Å; N75-T77 PolarHBondContact O-N 2.92Å; T77-G79 PolarHBondContact O-N 3.36Å
78	E	61	Low	76.7	Confident	147 Å²	147	118.2 Å²	118.2	69%	0.687	65%	0.648	S	S	*	*			trans	-86.8	88	172.3	41.8	-171.1	148.3	0	0	111.3
79	G	63.5	Low	77	Confident	49 Å²	49	111.9 Å²	111.9	51%	0.505	63%	0.628	S	S	.	*			trans	92.2	115.8	151.2	0	0	0	0	0	117.8	T77 W81	T77-G79 PolarHBondContact O-N 3.36Å; G79-W81 PolarHBondContact O-N 3.45Å; G79-W81 VanDerWaalsContact O-N 3.17Å
80	G	73.1	Confident	77.1	Confident	90 Å²	90	111.4 Å²	111.4	93%	0.928	62%	0.622	S	S	*	*			trans	-82.6	35	171.9	0	0	0	0	0	114.4
81	W	81.3	Confident	77.7	Confident	78 Å²	78	108.9 Å²	108.9	30%	0.295	61%	0.614	S	S	.	*			trans	-69.3	148.4	174.2	-64.9	93.1	0	0	0	109.9	G79 V85 P87 V93 Y96	G79-W81 PolarHBondContact O-N 3.45Å; G79-W81 VanDerWaalsContact O-N 3.17Å; W81-V85 HydrophobicContact CB-CB 4.26Å; W81-V85 HydrophobicContact CB-CG1 4.39Å; W81-V85 WeakPolarHBondContact CB-O 3.27Å; W81-V85 HydrophobicContact CD2-CG1 4.26Å; W81-V85 HydrophobicContact CE3-CG1 3.75Å; W81-V85 HydrophobicContact CZ3-CG1 4.49Å; W81-P87 VanDerWaalsContact CD1-CB 3.46Å; W81-P87 HydrophobicContact CG-CB 4.29Å; W81-V93 HydrophobicContact CD2-CG2 4.47Å; W81-V93 HydrophobicContact CE3-CG2 4.4Å; W81-V93 HydrophobicContact CH2-CB 4.1Å; W81-V93 HydrophobicContact CH2-CG1 3.37Å; W81-V93 HydrophobicContact CH2-CG2 3.88Å; W81-V93 HydrophobicContact CZ2-CG1 3.94Å; W81-V93 HydrophobicContact CZ2-CG2 3.9Å; W81-V93 HydrophobicContact CZ3-CB 4.34Å; W81-V93 HydrophobicContact CZ3-CG1 3.97Å; W81-V93 HydrophobicContact CZ3-CG2 4.11Å; W81-Y96 HydrophobicContact CE3-CD1 4.28Å; W81-Y96 HydrophobicContact CZ3-CD1 4.04Å
82	P	81.4	Confident	77.9	Confident	43 Å²	43	105.4 Å²	105.4	28%	0.279	59%	0.587	S	S	.	*			trans	-52.9	151.2	170.6	-22.7	31.6	0	0	0	111.1	D84 V85 Y96	P82-D84 PolarHBondContact O-N 3.27Å; P82-V85 HydrophobicContact CB-CG2 4.33Å; P82-V85 HydrophobicContact CG-CG2 4.34Å; P82-V85 PolarHBondContact O-N 3.1Å; P82-Y96 HydrophobicContact CG-CD2 4.26Å; P82-Y96 HydrophobicContact CG-CE1 4.07Å; P82-Y96 HydrophobicContact CG-CE2 3.57Å; P82-Y96 VanDerWaalsContact CG-CZ 3.44Å; P82-Y96 WeakPolarHBondContact CG-OH 3.36Å
83	K	81.1	Confident	78.4	Confident	212 Å²	212	98.5 Å²	98.5	92%	0.922	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-23.6	-176.2	-63.8	-177.8	-179.9	-179.2	0	114.5
84	D	81.3	Confident	78.8	Confident	147 Å²	147	98.4 Å²	98.4	79%	0.786	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-1.3	-176.3	-46.8	-42	0	0	0	113.7	P82	P82-D84 PolarHBondContact O-N 3.27Å
85	V	83	Confident	79.3	Confident	19 Å²	19	99.9 Å²	99.9	12%	0.115	53%	0.533	C	S	.	.			trans	-116.2	111.6	-176.1	-179.8	0	0	0	0	108.9	W81 P82 P87 Q92 V93 Y96	W81-V85 HydrophobicContact CB-CB 4.26Å; W81-V85 HydrophobicContact CB-CG1 4.39Å; W81-V85 WeakPolarHBondContact CB-O 3.27Å; W81-V85 HydrophobicContact CD2-CG1 4.26Å; W81-V85 HydrophobicContact CE3-CG1 3.75Å; W81-V85 HydrophobicContact CZ3-CG1 4.49Å; P82-V85 HydrophobicContact CB-CG2 4.33Å; P82-V85 HydrophobicContact CG-CG2 4.34Å; P82-V85 PolarHBondContact O-N 3.1Å; V85-P87 VanDerWaalsContact O-CD 3.26Å; V85-P87 WeakPolarHBondContact O-CD 3.45Å; V85-Q92 HydrophobicContact CG1-CB 4.16Å; V85-V93 HydrophobicContact CG1-CG2 4.49Å; V85-Y96 HydrophobicContact CG2-CD2 3.97Å; V85-Y96 HydrophobicContact CG2-CG 4.12Å
86	N	82.1	Confident	80.2	Confident	62 Å²	62	97.1 Å²	97.1	33%	0.332	51%	0.512	S	S	.	.			trans	-77.8	116.4	173.6	-173.8	-5.5	0	0	0	110.1	Q88 E89	N86-Q88 PolarHBondContact O-N 3.46Å; N86-Q88 VanDerWaalsContact O-N 3.17Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 PolarHBondContact OD1-N 2.93Å; N86-E89 HydrophobicContact CB-CB 4.22Å; N86-E89 HydrophobicContact CB-CG 4.1Å; N86-E89 PolarHBondContact O-N 3.39Å; N86-E89 VanDerWaalsContact O-N 3.11Å
87	P	81.5	Confident	81.5	Confident	64 Å²	64	97.2 Å²	97.2	42%	0.416	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.4	174.9	10.5	-21.7	0	0	0	114.5	W81 V85 E89	W81-P87 VanDerWaalsContact CD1-CB 3.46Å; W81-P87 HydrophobicContact CG-CB 4.29Å; V85-P87 VanDerWaalsContact O-CD 3.26Å; V85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 2.86Å
88	Q	82	Confident	82.6	Confident	151 Å²	151	96.9 Å²	96.9	71%	0.706	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.6	-177.3	-60.5	179.7	-9	0	0	112.3	N86 P90	N86-Q88 PolarHBondContact O-N 3.46Å; N86-Q88 VanDerWaalsContact O-N 3.17Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 PolarHBondContact OD1-N 2.93Å; Q88-P90 WeakPolarHBondContact O-CD 3.49Å
89	E	85	Confident	84	Confident	91 Å²	91	96.6 Å²	96.6	43%	0.425	49%	0.491	S	S	.	.			trans	-100.6	101.2	179.8	-72.5	-71.1	172.8	0	0	110.2	N86 P87 D91 Q92 V93	N86-E89 HydrophobicContact CB-CB 4.22Å; N86-E89 HydrophobicContact CB-CG 4.1Å; N86-E89 PolarHBondContact O-N 3.39Å; N86-E89 VanDerWaalsContact O-N 3.11Å; P87-E89 VanDerWaalsContact C-N 3.26Å; P87-E89 PolarHBondContact O-N 2.86Å; E89-D91 PolarHBondContact O-N 3.4Å; E89-D91 VanDerWaalsContact O-N 3.16Å; E89-Q92 HydrophobicContact CB-CB 4.12Å; E89-Q92 HydrophobicContact CB-CG 3.79Å; E89-Q92 PolarHBondContact O-N 3.49Å; E89-V93 PolarHBondContact O-N 3.01Å
90	P	86.2	Confident	85.2	Confident	80 Å²	80	96.3 Å²	96.3	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-60.4	-31.2	-174.2	24.2	-33.9	0	0	0	112.7	Q88 V93 I94	Q88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-V93 PolarHBondContact O-N 3.05Å; P90-I94 WeakPolarHBondContact O-CB 3.46Å; P90-I94 WeakPolarHBondContact O-CD1 3.39Å; P90-I94 VanDerWaalsContact O-CG1 3.22Å; P90-I94 WeakPolarHBondContact O-CG1 3.37Å; P90-I94 PolarHBondContact O-N 3.19Å
91	D	89.1	Confident	86	Confident	101 Å²	101	96.8 Å²	96.8	54%	0.54	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-38.5	177.5	-80.4	-6.4	0	0	0	112.6	E89 R95	E89-D91 PolarHBondContact O-N 3.4Å; E89-D91 VanDerWaalsContact O-N 3.16Å; D91-R95 WeakPolarHBondContact O-CB 3.44Å; D91-R95 VanDerWaalsContact O-CG 3.23Å; D91-R95 WeakPolarHBondContact O-CG 3.5Å; D91-R95 PolarHBondContact O-N 3Å
92	Q	87.1	Confident	86.4	Confident	75 Å²	75	101.3 Å²	101.3	35%	0.35	48%	0.479	S	S	.	.	H	α-helix	trans	-69.3	-42.1	178.2	-63	-173.2	19.4	0	0	110.6	V85 E89 R95 Y96	V85-Q92 HydrophobicContact CG1-CB 4.16Å; E89-Q92 HydrophobicContact CB-CB 4.12Å; E89-Q92 HydrophobicContact CB-CG 3.79Å; E89-Q92 PolarHBondContact O-N 3.49Å; Q92-R95 PolarHBondContact O-N 3.38Å; Q92-Y96 WeakPolarHBondContact O-CB 3.46Å; Q92-Y96 PolarHBondContact O-N 3Å
93	V	87.5	Confident	86.9	Confident	14 Å²	14	103.8 Å²	103.8	9%	0.085	49%	0.487	C	S	.	.	H	α-helix	trans	-59.2	-48.2	174.7	167.7	0	0	0	0	111.6	W81 V85 E89 P90 R95 Y96 R97	W81-V93 HydrophobicContact CD2-CG2 4.47Å; W81-V93 HydrophobicContact CE3-CG2 4.4Å; W81-V93 HydrophobicContact CH2-CB 4.1Å; W81-V93 HydrophobicContact CH2-CG1 3.37Å; W81-V93 HydrophobicContact CH2-CG2 3.88Å; W81-V93 HydrophobicContact CZ2-CG1 3.94Å; W81-V93 HydrophobicContact CZ2-CG2 3.9Å; W81-V93 HydrophobicContact CZ3-CB 4.34Å; W81-V93 HydrophobicContact CZ3-CG1 3.97Å; W81-V93 HydrophobicContact CZ3-CG2 4.11Å; V85-V93 HydrophobicContact CG1-CG2 4.49Å; E89-V93 PolarHBondContact O-N 3.01Å; P90-V93 PolarHBondContact O-N 3.05Å; V93-R95 PolarHBondContact O-N 3.18Å; V93-Y96 PolarHBondContact O-N 2.91Å; V93-R97 WeakPolarHBondContact O-CG 3.5Å; V93-R97 PolarHBondContact O-N 2.99Å
94	I	89.8	Confident	87.2	Confident	79 Å²	79	100.2 Å²	100.2	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-64.7	-41.7	180	-69.1	164.8	0	0	0	111.1	P90 R97 K98	P90-I94 WeakPolarHBondContact O-CB 3.46Å; P90-I94 WeakPolarHBondContact O-CD1 3.39Å; P90-I94 VanDerWaalsContact O-CG1 3.22Å; P90-I94 WeakPolarHBondContact O-CG1 3.37Å; P90-I94 PolarHBondContact O-N 3.19Å; I94-R97 PolarHBondContact O-N 3.34Å; I94-K98 HydrophobicContact CG2-CD 4.01Å; I94-K98 HydrophobicContact CG2-CG 4.44Å; I94-K98 WeakPolarHBondContact O-CB 3.47Å; I94-K98 WeakPolarHBondContact O-CG 3.15Å; I94-K98 PolarHBondContact O-N 2.97Å
95	R	89.3	Confident	87.8	Confident	184 Å²	184	99.2 Å²	99.2	69%	0.694	47%	0.472	S	S	*	.	H	α-helix	trans	-62.8	-43.1	176.9	-76	175.8	-169.6	-166.2	5.6	111.9	D91 Q92 V93 K98 K99	D91-R95 WeakPolarHBondContact O-CB 3.44Å; D91-R95 VanDerWaalsContact O-CG 3.23Å; D91-R95 WeakPolarHBondContact O-CG 3.5Å; D91-R95 PolarHBondContact O-N 3Å; Q92-R95 PolarHBondContact O-N 3.38Å; V93-R95 PolarHBondContact O-N 3.18Å; R95-K98 PolarHBondContact O-N 3.43Å; R95-K99 PolarHBondContact O-N 3.25Å
96	Y	89.6	Confident	88.2	Confident	90 Å²	90	102.9 Å²	102.9	35%	0.353	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-46.5	178.2	-175.1	-102.1	0	0	0	111.6	W81 P82 V85 Q92 V93 K98 K99 V100	W81-Y96 HydrophobicContact CE3-CD1 4.28Å; W81-Y96 HydrophobicContact CZ3-CD1 4.04Å; P82-Y96 HydrophobicContact CG-CD2 4.26Å; P82-Y96 HydrophobicContact CG-CE1 4.07Å; P82-Y96 HydrophobicContact CG-CE2 3.57Å; P82-Y96 VanDerWaalsContact CG-CZ 3.44Å; P82-Y96 WeakPolarHBondContact CG-OH 3.36Å; V85-Y96 HydrophobicContact CG2-CD2 3.97Å; V85-Y96 HydrophobicContact CG2-CG 4.12Å; Q92-Y96 WeakPolarHBondContact O-CB 3.46Å; Q92-Y96 PolarHBondContact O-N 3Å; V93-Y96 PolarHBondContact O-N 2.91Å; Y96-K98 PolarHBondContact O-N 2.88Å; Y96-K99 WeakPolarHBondContact O-CB 3.38Å; Y96-K99 PolarHBondContact O-N 2.89Å; Y96-K99 VanDerWaalsContact O-N 3.13Å; Y96-V100 HydrophobicContact CD1-CG2 4.44Å; Y96-V100 HydrophobicContact CE1-CG2 4.02Å; Y96-V100 HydrophobicContact CE2-CG2 4.47Å; Y96-V100 PolarHBondContact O-N 3.2Å; Y96-V100 VanDerWaalsContact O-N 3.12Å
97	R	89.6	Confident	88.6	Confident	136 Å²	136	104.8 Å²	104.8	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-57.8	-49.1	175.1	-72.1	178.1	-178.2	173.4	2.6	112.2	V93 I94 K99 V100 E101	V93-R97 WeakPolarHBondContact O-CG 3.5Å; V93-R97 PolarHBondContact O-N 2.99Å; I94-R97 PolarHBondContact O-N 3.34Å; R97-K99 PolarHBondContact O-N 3.28Å; R97-V100 PolarHBondContact O-N 2.9Å; R97-V100 VanDerWaalsContact O-N 3.13Å; R97-E101 WeakPolarHBondContact O-CB 3.21Å; R97-E101 WeakPolarHBondContact O-CG 3.25Å; R97-E101 PolarHBondContact O-N 2.7Å
98	K	90.8	Very high	89.1	Confident	123 Å²	123	104.7 Å²	104.7	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-28.4	177.2	-75.6	179.4	178.5	178.3	0	113.4	I94 R95 Y96 K102	I94-K98 HydrophobicContact CG2-CD 4.01Å; I94-K98 HydrophobicContact CG2-CG 4.44Å; I94-K98 WeakPolarHBondContact O-CB 3.47Å; I94-K98 WeakPolarHBondContact O-CG 3.15Å; I94-K98 PolarHBondContact O-N 2.97Å; R95-K98 PolarHBondContact O-N 3.43Å; Y96-K98 PolarHBondContact O-N 2.88Å; K98-K102 WeakPolarHBondContact O-CD 3.47Å; K98-K102 VanDerWaalsContact O-CG 3.23Å; K98-K102 WeakPolarHBondContact O-CG 3.32Å
99	K	89.9	Confident	89.7	Confident	140 Å²	140	100.7 Å²	100.7	61%	0.609	48%	0.484	S	S	*	.	H	α-helix	trans	-69.7	-48.7	174.8	-177.4	-175.7	174	-174.7	0	110.4	R95 Y96 R97 K102	R95-K99 PolarHBondContact O-N 3.25Å; Y96-K99 WeakPolarHBondContact O-CB 3.38Å; Y96-K99 PolarHBondContact O-N 2.89Å; Y96-K99 VanDerWaalsContact O-N 3.13Å; R97-K99 PolarHBondContact O-N 3.28Å; K99-K102 PolarHBondContact O-N 3.37Å
100	V	88.9	Confident	90.1	Very high	43 Å²	43	99.7 Å²	99.7	26%	0.261	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-42.5	-180	177.1	0	0	0	0	111.5	Y96 R97 K102 E103 Y106	Y96-V100 HydrophobicContact CD1-CG2 4.44Å; Y96-V100 HydrophobicContact CE1-CG2 4.02Å; Y96-V100 HydrophobicContact CE2-CG2 4.47Å; Y96-V100 PolarHBondContact O-N 3.2Å; Y96-V100 VanDerWaalsContact O-N 3.12Å; R97-V100 PolarHBondContact O-N 2.9Å; R97-V100 VanDerWaalsContact O-N 3.13Å; V100-K102 PolarHBondContact O-N 2.85Å; V100-E103 PolarHBondContact O-N 3.37Å; V100-E103 VanDerWaalsContact O-N 3.16Å; V100-Y106 HydrophobicContact CG1-CD2 4.26Å; V100-Y106 WeakPolarHBondContact O-CB 3.27Å
101	E	89.4	Confident	90.4	Very high	101 Å²	101	101.9 Å²	101.9	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-20.2	180	-73.9	169.9	-178.6	0	0	113.8	R97 Y106	R97-E101 WeakPolarHBondContact O-CB 3.21Å; R97-E101 WeakPolarHBondContact O-CG 3.25Å; R97-E101 PolarHBondContact O-N 2.7Å; E101-Y106 HydrophobicContact CB-CE1 4.41Å; E101-Y106 HydrophobicContact CG-CE1 4.14Å
102	K	89.7	Confident	90.7	Very high	172 Å²	172	104.1 Å²	104.1	75%	0.748	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.7	177.8	-78.5	179.8	-180	-171	0	113.9	K98 K99 V100 D104	K98-K102 WeakPolarHBondContact O-CD 3.47Å; K98-K102 VanDerWaalsContact O-CG 3.23Å; K98-K102 WeakPolarHBondContact O-CG 3.32Å; K99-K102 PolarHBondContact O-N 3.37Å; V100-K102 PolarHBondContact O-N 2.85Å; K102-D104 PolarHBondContact O-N 3.32Å
103	E	91.2	Very high	91.1	Very high	96 Å²	96	106 Å²	106	45%	0.449	50%	0.504	S	S	.	.			trans	-73.2	126.5	178.7	-64.8	-178.6	-180	0	0	109.7	V100 I105 Y106 I107	V100-E103 PolarHBondContact O-N 3.37Å; V100-E103 VanDerWaalsContact O-N 3.16Å; E103-I105 PolarHBondContact O-N 2.65Å; E103-I105 VanDerWaalsContact O-N 3.12Å; E103-Y106 VanDerWaalsContact O-CB 3.25Å; E103-Y106 WeakPolarHBondContact O-CB 3.32Å; E103-Y106 PolarHBondContact O-N 2.83Å; E103-I107 PolarHBondContact O-N 2.88Å
104	D	89.1	Confident	91.5	Very high	136 Å²	136	107.1 Å²	107.1	73%	0.727	52%	0.518	S	S	*	.	H	α-helix	trans	-58.7	-30.3	-179.8	-66.5	-36.5	0	0	0	112.4	K102 Y106 I107 A108	K102-D104 PolarHBondContact O-N 3.32Å; D104-Y106 VanDerWaalsContact C-N 3.3Å; D104-Y106 PolarHBondContact O-N 2.93Å; D104-I107 PolarHBondContact O-N 3.12Å; D104-A108 WeakPolarHBondContact O-CB 3.48Å; D104-A108 PolarHBondContact O-N 3.47Å
105	I	93.2	Very high	91.6	Very high	127 Å²	127	107.6 Å²	107.6	65%	0.651	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-37.6	175.2	-59.4	171.7	0	0	0	110.8	E103 T109	E103-I105 PolarHBondContact O-N 2.65Å; E103-I105 VanDerWaalsContact O-N 3.12Å; I105-T109 HydrophobicContact CG2-CG2 4.18Å; I105-T109 WeakPolarHBondContact O-CB 3.15Å; I105-T109 VanDerWaalsContact O-CG2 3.24Å; I105-T109 WeakPolarHBondContact O-CG2 3.38Å; I105-T109 PolarHBondContact O-N 2.84Å; I105-T109 PolarHBondContact O-OG1 2.84Å
106	Y	92.3	Very high	91.9	Very high	96 Å²	96	103.4 Å²	103.4	38%	0.376	51%	0.512	S	S	.	.	H	α-helix	trans	-62.7	-49.2	177.3	173.2	-98.5	0	0	0	110.6	V100 E101 E103 D104 A108 T109 V110	V100-Y106 HydrophobicContact CG1-CD2 4.26Å; V100-Y106 WeakPolarHBondContact O-CB 3.27Å; E101-Y106 HydrophobicContact CB-CE1 4.41Å; E101-Y106 HydrophobicContact CG-CE1 4.14Å; E103-Y106 VanDerWaalsContact O-CB 3.25Å; E103-Y106 WeakPolarHBondContact O-CB 3.32Å; E103-Y106 PolarHBondContact O-N 2.83Å; D104-Y106 VanDerWaalsContact C-N 3.3Å; D104-Y106 PolarHBondContact O-N 2.93Å; Y106-A108 PolarHBondContact O-N 3.38Å; Y106-T109 WeakPolarHBondContact CA-OG1 3.46Å; Y106-T109 PolarHBondContact O-N 3.33Å; Y106-T109 PolarHBondContact O-OG1 3.48Å; Y106-V110 HydrophobicContact CD1-CG2 4.4Å; Y106-V110 HydrophobicContact CD2-CG2 4.17Å; Y106-V110 HydrophobicContact CE1-CG2 4.07Å; Y106-V110 HydrophobicContact CE2-CG2 3.83Å; Y106-V110 HydrophobicContact CG-CG2 4.44Å; Y106-V110 WeakPolarHBondContact O-CB 3.43Å; Y106-V110 VanDerWaalsContact O-CG2 3.23Å; Y106-V110 WeakPolarHBondContact O-CG2 3.18Å; Y106-V110 PolarHBondContact O-N 2.77Å
107	I	89.3	Confident	92.2	Very high	101 Å²	101	104.7 Å²	104.7	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-44.6	-180	-59.1	177	0	0	0	110.9	E103 D104 T109 V110 H111	E103-I107 PolarHBondContact O-N 2.88Å; D104-I107 PolarHBondContact O-N 3.12Å; I107-T109 PolarHBondContact O-N 2.96Å; I107-V110 PolarHBondContact O-N 3.48Å; I107-H111 WeakPolarHBondContact O-CB 3.47Å; I107-H111 PolarHBondContact O-N 3.23Å
108	A	92.1	Very high	92.5	Very high	63 Å²	63	102.6 Å²	102.6	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-40.8	179.2	0	0	0	0	0	112.9	D104 Y106 K112	D104-A108 WeakPolarHBondContact O-CB 3.48Å; D104-A108 PolarHBondContact O-N 3.47Å; Y106-A108 PolarHBondContact O-N 3.38Å; A108-K112 WeakPolarHBondContact O-CB 3.23Å; A108-K112 PolarHBondContact O-N 3.29Å; A108-K112 VanDerWaalsContact O-N 3.07Å
109	T	94.2	Very high	92.7	Very high	66 Å²	66	102.8 Å²	102.8	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-41.4	178.2	50.7	0	0	0	0	112	I105 Y106 I107 K112 L113	I105-T109 HydrophobicContact CG2-CG2 4.18Å; I105-T109 WeakPolarHBondContact O-CB 3.15Å; I105-T109 VanDerWaalsContact O-CG2 3.24Å; I105-T109 WeakPolarHBondContact O-CG2 3.38Å; I105-T109 PolarHBondContact O-N 2.84Å; I105-T109 PolarHBondContact O-OG1 2.84Å; Y106-T109 WeakPolarHBondContact CA-OG1 3.46Å; Y106-T109 PolarHBondContact O-N 3.33Å; Y106-T109 PolarHBondContact O-OG1 3.48Å; I107-T109 PolarHBondContact O-N 2.96Å; T109-K112 PolarHBondContact O-N 3.43Å; T109-L113 WeakPolarHBondContact O-CB 3.11Å; T109-L113 WeakPolarHBondContact O-CG 3.21Å; T109-L113 PolarHBondContact O-N 2.64Å
110	V	94.1	Very high	92.9	Very high	71 Å²	71	98.5 Å²	98.5	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.2	170.6	0	0	0	0	111	Y106 I107 K112 L113 G114	Y106-V110 HydrophobicContact CD1-CG2 4.4Å; Y106-V110 HydrophobicContact CD2-CG2 4.17Å; Y106-V110 HydrophobicContact CE1-CG2 4.07Å; Y106-V110 HydrophobicContact CE2-CG2 3.83Å; Y106-V110 HydrophobicContact CG-CG2 4.44Å; Y106-V110 WeakPolarHBondContact O-CB 3.43Å; Y106-V110 VanDerWaalsContact O-CG2 3.23Å; Y106-V110 WeakPolarHBondContact O-CG2 3.18Å; Y106-V110 PolarHBondContact O-N 2.77Å; I107-V110 PolarHBondContact O-N 3.48Å; V110-K112 PolarHBondContact O-N 2.72Å; V110-L113 PolarHBondContact O-N 3.21Å; V110-G114 PolarHBondContact O-N 2.81Å
111	H	92.4	Very high	93.2	Very high	126 Å²	126	100.6 Å²	100.6	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-39.5	178.2	-166.4	-53.2	0	0	0	112.1	I107 G114 N115	I107-H111 WeakPolarHBondContact O-CB 3.47Å; I107-H111 PolarHBondContact O-N 3.23Å; H111-G114 PolarHBondContact O-N 3.48Å; H111-N115 PolarHBondContact O-N 2.62Å; H111-N115 VanDerWaalsContact O-N 3.16Å
112	K	94.3	Very high	93.5	Very high	147 Å²	147	101.8 Å²	101.8	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-46.6	176.7	-177.4	-179.5	177.9	-178	0	111.9	A108 T109 V110 G114 I116	A108-K112 WeakPolarHBondContact O-CB 3.23Å; A108-K112 PolarHBondContact O-N 3.29Å; A108-K112 VanDerWaalsContact O-N 3.07Å; T109-K112 PolarHBondContact O-N 3.43Å; V110-K112 PolarHBondContact O-N 2.72Å; K112-G114 VanDerWaalsContact C-N 3.34Å; K112-I116 PolarHBondContact O-N 3.08Å
113	L	96.3	Very high	93.7	Very high	115 Å²	115	98.9 Å²	98.9	60%	0.602	51%	0.51	S	S	*	.	H	α-helix	trans	-69.3	-33.7	177.8	-69.3	173.3	0	0	0	111.8	T109 V110 I116 M117	T109-L113 WeakPolarHBondContact O-CB 3.11Å; T109-L113 WeakPolarHBondContact O-CG 3.21Å; T109-L113 PolarHBondContact O-N 2.64Å; V110-L113 PolarHBondContact O-N 3.21Å; L113-I116 PolarHBondContact O-N 2.56Å; L113-M117 WeakPolarHBondContact O-CB 3.42Å; L113-M117 PolarHBondContact O-N 2.89Å
114	G	95.3	Very high	93.8	Very high	37 Å²	37	99.2 Å²	99.2	38%	0.381	52%	0.515	S	S	.	.	H	α-helix	trans	-57.2	-47.8	173.8	0	0	0	0	0	112.3	V110 H111 K112 I116 M117 E118	V110-G114 PolarHBondContact O-N 2.81Å; H111-G114 PolarHBondContact O-N 3.48Å; K112-G114 VanDerWaalsContact C-N 3.34Å; G114-I116 VanDerWaalsContact C-N 3.33Å; G114-I116 PolarHBondContact O-N 2.79Å; G114-M117 PolarHBondContact O-N 3.33Å; G114-E118 WeakPolarHBondContact O-CB 3.16Å; G114-E118 PolarHBondContact O-N 2.7Å
115	N	93.3	Very high	94	Very high	90 Å²	90	99.1 Å²	99.1	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-37.8	177.6	-69.3	-8.4	0	0	0	112.8	H111 H119	H111-N115 PolarHBondContact O-N 2.62Å; H111-N115 VanDerWaalsContact O-N 3.16Å; N115-H119 PolarHBondContact O-N 3.47Å
116	I	95.7	Very high	94	Very high	96 Å²	96	97 Å²	97	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-68.1	-45	176.6	-63.5	169.6	0	0	0	110.1	K112 L113 G114 E118 H119 C120	K112-I116 PolarHBondContact O-N 3.08Å; L113-I116 PolarHBondContact O-N 2.56Å; G114-I116 VanDerWaalsContact C-N 3.33Å; G114-I116 PolarHBondContact O-N 2.79Å; I116-E118 VanDerWaalsContact C-N 3.35Å; I116-E118 PolarHBondContact O-N 3.47Å; I116-H119 WeakPolarHBondContact O-CB 3.48Å; I116-H119 PolarHBondContact O-N 3.28Å; I116-C120 PolarHBondContact O-N 2.89Å; I116-C120 PolarHBondContact O-SG 3.45Å
117	M	95.7	Very high	93.9	Very high	117 Å²	117	97.7 Å²	97.7	58%	0.576	53%	0.525	S	S	*	.	H	α-helix	trans	-65	-38.8	179	-173.6	61.1	112.3	0	0	111.8	L113 G114 H119 C120 I121	L113-M117 WeakPolarHBondContact O-CB 3.42Å; L113-M117 PolarHBondContact O-N 2.89Å; G114-M117 PolarHBondContact O-N 3.33Å; M117-H119 VanDerWaalsContact C-N 3.28Å; M117-H119 PolarHBondContact O-N 3.34Å; M117-C120 PolarHBondContact O-N 3.35Å; M117-I121 HydrophobicContact CG-CD1 3.89Å; M117-I121 HydrophobicContact CG-CG1 4.36Å; M117-I121 VanDerWaalsContact O-CG1 3.3Å; M117-I121 WeakPolarHBondContact O-CG1 3.44Å; M117-I121 PolarHBondContact O-N 3.27Å
118	E	95.9	Very high	93.9	Very high	92 Å²	92	97 Å²	97	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-59.2	-40.1	175.9	-169.8	-173.5	165	0	0	111.6	G114 I116 I121 K122	G114-E118 WeakPolarHBondContact O-CB 3.16Å; G114-E118 PolarHBondContact O-N 2.7Å; I116-E118 VanDerWaalsContact C-N 3.35Å; I116-E118 PolarHBondContact O-N 3.47Å; E118-I121 PolarHBondContact O-N 2.81Å; E118-K122 HydrophobicContact CG-CD 4.48Å; E118-K122 WeakPolarHBondContact O-CG 3.09Å; E118-K122 PolarHBondContact O-N 2.8Å; E118-K122 WeakPolarHBondContact OE1-CE 3.42Å; E118-K122 IonicContact OE1-NZ 2.76Å; E118-K122 PolarHBondContact OE1-NZ 3.07Å
119	H	94.6	Very high	93.8	Very high	126 Å²	126	99.7 Å²	99.7	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-48	173.6	179.1	73	0	0	0	111.9	N115 I116 M117 I121 K122 Q123	N115-H119 PolarHBondContact O-N 3.47Å; I116-H119 WeakPolarHBondContact O-CB 3.48Å; I116-H119 PolarHBondContact O-N 3.28Å; M117-H119 VanDerWaalsContact C-N 3.28Å; M117-H119 PolarHBondContact O-N 3.34Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 3.27Å; H119-K122 PolarHBondContact O-N 3.29Å; H119-Q123 WeakPolarHBondContact O-CB 3.49Å; H119-Q123 PolarHBondContact O-N 3.39Å
120	C	94.4	Very high	93.6	Very high	51 Å²	51	106.1 Å²	106.1	35%	0.345	55%	0.545	S	S	.	.	H	α-helix	trans	-61.2	-39.6	178.2	-63.2	0	0	0	0	112.5	I116 M117 Q123 N124	I116-C120 PolarHBondContact O-N 2.89Å; I116-C120 PolarHBondContact O-SG 3.45Å; M117-C120 PolarHBondContact O-N 3.35Å; C120-Q123 PolarHBondContact O-N 3.18Å; C120-N124 PolarHBondContact O-N 2.91Å
121	I	95.1	Very high	93.4	Very high	87 Å²	87	107.8 Å²	107.8	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-64.6	-46.6	176.9	-67.6	165.8	0	0	0	110.5	M117 E118 H119 Q123 N124 N125	M117-I121 HydrophobicContact CG-CD1 3.89Å; M117-I121 HydrophobicContact CG-CG1 4.36Å; M117-I121 VanDerWaalsContact O-CG1 3.3Å; M117-I121 WeakPolarHBondContact O-CG1 3.44Å; M117-I121 PolarHBondContact O-N 3.27Å; E118-I121 PolarHBondContact O-N 2.81Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 3.27Å; I121-Q123 VanDerWaalsContact C-N 3.28Å; I121-Q123 PolarHBondContact O-N 3.07Å; I121-N124 PolarHBondContact O-N 3.46Å; I121-N125 WeakPolarHBondContact O-CB 2.89Å; I121-N125 VanDerWaalsContact O-CG 3.31Å; I121-N125 PolarHBondContact O-N 2.84Å; I121-N125 PolarHBondContact O-ND2 2.79Å
122	K	95.2	Very high	93.1	Very high	125 Å²	125	107.2 Å²	107.2	54%	0.543	55%	0.549	S	S	.	.	H	α-helix	trans	-61.7	-37.5	176.8	-73.5	176.4	-175.7	170.1	0	112	E118 H119 N125 A126	E118-K122 HydrophobicContact CG-CD 4.48Å; E118-K122 WeakPolarHBondContact O-CG 3.09Å; E118-K122 PolarHBondContact O-N 2.8Å; E118-K122 WeakPolarHBondContact OE1-CE 3.42Å; E118-K122 IonicContact OE1-NZ 2.76Å; E118-K122 PolarHBondContact OE1-NZ 3.07Å; H119-K122 PolarHBondContact O-N 3.29Å; K122-N125 PolarHBondContact O-N 2.88Å; K122-A126 WeakPolarHBondContact O-CB 3.22Å; K122-A126 PolarHBondContact O-N 3.46Å
123	Q	94	Very high	92.7	Very high	111 Å²	111	107.5 Å²	107.5	52%	0.519	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-46.9	177.3	-175	176.4	-2.4	0	0	112.1	H119 C120 I121 N125 A126	H119-Q123 WeakPolarHBondContact O-CB 3.49Å; H119-Q123 PolarHBondContact O-N 3.39Å; C120-Q123 PolarHBondContact O-N 3.18Å; I121-Q123 VanDerWaalsContact C-N 3.28Å; I121-Q123 PolarHBondContact O-N 3.07Å; Q123-N125 VanDerWaalsContact C-N 3.27Å; Q123-N125 PolarHBondContact O-N 3.28Å; Q123-A126 WeakPolarHBondContact O-CB 2.99Å; Q123-A126 PolarHBondContact O-N 2.91Å; Q123-A126 VanDerWaalsContact O-N 3.16Å
124	N	93.5	Very high	92.2	Very high	104 Å²	104	110.1 Å²	110.1	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-65.5	-31.7	177.7	-71.1	-11.9	0	0	0	112.5	C120 I121	C120-N124 PolarHBondContact O-N 2.91Å; I121-N124 PolarHBondContact O-N 3.46Å
125	N	92.9	Very high	91.5	Very high	134 Å²	134	113.5 Å²	113.5	72%	0.717	56%	0.564	S	S	*	*	H	α-helix	trans	-79	-16.8	176	-70.8	-16.7	0	0	0	113.5	I121 K122 Q123	I121-N125 WeakPolarHBondContact O-CB 2.89Å; I121-N125 VanDerWaalsContact O-CG 3.31Å; I121-N125 PolarHBondContact O-N 2.84Å; I121-N125 PolarHBondContact O-ND2 2.79Å; K122-N125 PolarHBondContact O-N 2.88Å; Q123-N125 VanDerWaalsContact C-N 3.27Å; Q123-N125 PolarHBondContact O-N 3.28Å
126	A	93.9	Very high	90.9	Very high	83 Å²	83	116.4 Å²	116.4	69%	0.686	58%	0.579	S	S	*	*	H	α-helix	trans	-72.9	-34.6	-179.6	0	0	0	0	0	112.4	K122 Q123	K122-A126 WeakPolarHBondContact O-CB 3.22Å; K122-A126 PolarHBondContact O-N 3.46Å; Q123-A126 WeakPolarHBondContact O-CB 2.99Å; Q123-A126 PolarHBondContact O-N 2.91Å; Q123-A126 VanDerWaalsContact O-N 3.16Å
127	L	89.2	Confident	90	Very high	109 Å²	109	115.5 Å²	115.5	57%	0.571	58%	0.578	S	S	*	*			trans	-152.1	127.8	177.2	-168.4	97.5	0	0	0	109.3	I129	L127-I129 HydrophobicContact CD2-CG1 3.95Å; L127-I129 PolarHBondContact O-N 3.3Å
128	N	90	Very high	88.7	Confident	88 Å²	88	119.9 Å²	119.9	47%	0.471	59%	0.59	S	S	.	*			trans	-77.6	89.3	171.1	-172.6	7.6	0	0	0	110.1	Y130 E131	N128-Y130 PolarHBondContact O-N 2.92Å; N128-Y130 VanDerWaalsContact O-N 3.13Å; N128-Y130 PolarHBondContact OD1-N 2.89Å; N128-E131 HydrophobicContact CB-CB 4.18Å; N128-E131 PolarHBondContact O-N 3.41Å
129	I	90.7	Very high	87.1	Confident	119 Å²	119	122.1 Å²	122.1	61%	0.61	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-18.1	-179.5	-55.7	160.5	0	0	0	111.7	L127	L127-I129 HydrophobicContact CD2-CG1 3.95Å; L127-I129 PolarHBondContact O-N 3.3Å
130	Y	90.1	Very high	85.5	Confident	200 Å²	200	123.7 Å²	123.7	78%	0.784	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	3.9	-179.2	-52.7	-71	0	0	0	113.6	N128 N132	N128-Y130 PolarHBondContact O-N 2.92Å; N128-Y130 VanDerWaalsContact O-N 3.13Å; N128-Y130 PolarHBondContact OD1-N 2.89Å; Y130-N132 PolarHBondContact O-N 3.46Å
131	E	88.2	Confident	83.9	Confident	106 Å²	106	125.3 Å²	125.3	50%	0.495	63%	0.634	S	S	.	*			trans	-79	114.9	175.1	-169.3	175.2	170.1	0	0	110.6	N128 Y133	N128-E131 HydrophobicContact CB-CB 4.18Å; N128-E131 PolarHBondContact O-N 3.41Å; E131-Y133 HydrophobicContact CG-CD1 4.43Å; E131-Y133 HydrophobicContact CG-CE1 4.22Å
132	N	87	Confident	82.1	Confident	114 Å²	114	125.6 Å²	125.6	61%	0.61	64%	0.643	S	S	*	*			trans	-83.6	114.3	168.4	-69.7	-21.8	0	0	0	109.1	Y130 D135	Y130-N132 PolarHBondContact O-N 3.46Å; N132-D135 HydrophobicContact CB-CB 4.47Å; N132-D135 WeakPolarHBondContact CB-OD2 3Å; N132-D135 PolarHBondContact ND2-OD2 3.3Å
133	Y	86.2	Confident	80.6	Confident	154 Å²	154	128.5 Å²	128.5	60%	0.604	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	136	171.6	-58.4	-57.2	0	0	0	110.2	E131	E131-Y133 HydrophobicContact CG-CD1 4.43Å; E131-Y133 HydrophobicContact CG-CE1 4.22Å
134	F	85.2	Confident	79.6	Confident	169 Å²	169	128.9 Å²	128.9	74%	0.741	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.5	13.2	171.9	-42.5	-74.3	0	0	0	117.9	D136 V137	F134-D136 PolarHBondContact O-N 2.92Å; F134-D136 VanDerWaalsContact O-N 3.16Å; F134-V137 HydrophobicContact CB-CB 4.25Å; F134-V137 HydrophobicContact CB-CG2 4.19Å; F134-V137 HydrophobicContact CD1-CG2 4.08Å; F134-V137 PolarHBondContact O-N 2.94Å; F134-V137 VanDerWaalsContact O-N 3.1Å
135	D	81.1	Confident	79.1	Confident	109 Å²	109	128.3 Å²	128.3	58%	0.583	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-27.1	176.4	-89.9	-2.1	0	0	0	113.2	N132	N132-D135 HydrophobicContact CB-CB 4.47Å; N132-D135 WeakPolarHBondContact CB-OD2 3Å; N132-D135 PolarHBondContact ND2-OD2 3.3Å
136	D	80.6	Confident	78.9	Confident	150 Å²	150	124.7 Å²	124.7	80%	0.802	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	0.6	179.7	-64	-28.8	0	0	0	114.1	F134 Y138	F134-D136 PolarHBondContact O-N 2.92Å; F134-D136 VanDerWaalsContact O-N 3.16Å; D136-Y138 PolarHBondContact O-N 3.46Å; D136-Y138 VanDerWaalsContact O-N 3.15Å
137	V	77.5	Confident	78.8	Confident	78 Å²	78	122.8 Å²	122.8	47%	0.473	63%	0.634	S	S	.	*			trans	-90.8	83.5	-173.8	-176.6	0	0	0	0	110.4	F134 L139	F134-V137 HydrophobicContact CB-CB 4.25Å; F134-V137 HydrophobicContact CB-CG2 4.19Å; F134-V137 HydrophobicContact CD1-CG2 4.08Å; F134-V137 PolarHBondContact O-N 2.94Å; F134-V137 VanDerWaalsContact O-N 3.1Å; V137-L139 HydrophobicContact CG1-CB 3.79Å; V137-L139 HydrophobicContact CG1-CD1 3.65Å; V137-L139 HydrophobicContact CG1-CG 3.78Å; V137-L139 PolarHBondContact O-N 3.32Å
138	Y	68.5	Low	79	Confident	209 Å²	209	118.6 Å²	118.6	82%	0.82	62%	0.615	S	S	*	*			trans	-79.5	53	163.9	-60.6	-85.1	0	0	0	111.1	D136 N140	D136-Y138 PolarHBondContact O-N 3.46Å; D136-Y138 VanDerWaalsContact O-N 3.15Å; Y138-N140 PolarHBondContact O-N 2.86Å
139	L	60.6	Low	79.2	Confident	139 Å²	139	121.1 Å²	121.1	73%	0.728	62%	0.622	S	S	*	*			trans	-86.9	90.7	168.7	-77.9	168.6	0	0	0	108.3	V137 A141	V137-L139 HydrophobicContact CG1-CB 3.79Å; V137-L139 HydrophobicContact CG1-CD1 3.65Å; V137-L139 HydrophobicContact CG1-CG 3.78Å; V137-L139 PolarHBondContact O-N 3.32Å; L139-A141 PolarHBondContact O-N 3.31Å
140	N	61	Low	79.4	Confident	159 Å²	159	119.4 Å²	119.4	85%	0.85	62%	0.617	S	S	*	*			trans	-70	75.2	157.6	-75	-7.3	0	0	0	107.9	Y138 S142	Y138-N140 PolarHBondContact O-N 2.86Å; N140-S142 PolarHBondContact O-N 2.93Å
141	A	60.9	Low	79.5	Confident	85 Å²	85	113.5 Å²	113.5	70%	0.702	60%	0.598	S	S	*	*			trans	-77	6.7	175.2	0	0	0	0	0	112.6	L139 E143	L139-A141 PolarHBondContact O-N 3.31Å; A141-E143 VanDerWaalsContact C-N 3.29Å; A141-E143 PolarHBondContact O-N 3.47Å
142	S	57	Low	79.7	Confident	92 Å²	92	110 Å²	110	64%	0.643	58%	0.583	S	S	*	*			trans	-76.5	86.7	169.6	-166.4	0	0	0	0	108.2	N140 D144	N140-S142 PolarHBondContact O-N 2.93Å; S142-D144 VanDerWaalsContact C-N 3.3Å; S142-D144 PolarHBondContact O-N 3.34Å; S142-D144 VanDerWaalsContact O-N 3.1Å; S142-D144 PolarHBondContact OG-OD1 2.95Å
143	E	65.5	Low	80	Confident	186 Å²	186	107.5 Å²	107.5	87%	0.869	57%	0.572	S	S	*	*			trans	-69.1	97.2	156.9	-69.6	-176.4	177.8	0	0	106.7	A141 S145	A141-E143 VanDerWaalsContact C-N 3.29Å; A141-E143 PolarHBondContact O-N 3.47Å; E143-S145 PolarHBondContact O-N 3.41Å
144	D	71.3	Confident	80.4	Confident	120 Å²	120	100.2 Å²	100.2	64%	0.642	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-55.9	127.8	175.4	-73.7	-16.4	0	0	0	109.2	S142	S142-D144 VanDerWaalsContact C-N 3.3Å; S142-D144 PolarHBondContact O-N 3.34Å; S142-D144 VanDerWaalsContact O-N 3.1Å; S142-D144 PolarHBondContact OG-OD1 2.95Å
145	S	83.7	Confident	80.8	Confident	92 Å²	92	98.3 Å²	98.3	64%	0.643	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-55.3	135.5	178.5	58.2	0	0	0	0	109.8	E143 S147	E143-S145 PolarHBondContact O-N 3.41Å; S145-S147 PolarHBondContact O-N 2.93Å; S145-S147 VanDerWaalsContact O-N 3.13Å
146	P	88.3	Confident	81.2	Confident	58 Å²	58	94.2 Å²	94.2	38%	0.377	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-55.8	123.3	-178.8	21.8	-32.3	0	0	0	109.9	L443 F482	P146-L443 HydrophobicContact CB-CB 4.46Å; P146-L443 HydrophobicContact CB-CD2 4.46Å; P146-F482 HydrophobicContact CB-CE1 4.42Å; P146-F482 HydrophobicContact CB-CE2 3.42Å; P146-F482 VanDerWaalsContact CB-CE2 3.42Å; P146-F482 HydrophobicContact CB-CZ 3.33Å
147	S	91.7	Very high	81.7	Confident	43 Å²	43	91.2 Å²	91.2	30%	0.301	50%	0.495	S	S	.	.			trans	-141.4	155.6	-178.9	58.7	0	0	0	0	110.4	S145 S479	S145-S147 PolarHBondContact O-N 2.93Å; S145-S147 VanDerWaalsContact O-N 3.13Å; S147-S479 PolarHBondContact N-OG 3.01Å; S147-S479 WeakPolarHBondContact O-CB 3.37Å; S147-S479 PolarHBondContact O-N 3.24Å; S147-S479 PolarHBondContact O-OG 3.34Å
148	A	93.9	Very high	82.1	Confident	20 Å²	20	89.3 Å²	89.3	17%	0.165	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.4	164.2	0	0	0	0	0	109.8	I445 L476 E477 L478	A148-I445 HydrophobicContact CB-CD1 3.42Å; A148-I445 VanDerWaalsContact CB-CD1 3.42Å; A148-L476 HydrophobicContact CB-CB 4.39Å; A148-E477 CarbonylContact C-O 3.42Å; A148-E477 WeakPolarHBondContact CA-O 3.04Å; A148-E477 WeakPolarHBondContact CB-O 3.47Å; A148-L478 HydrophobicContact CB-CD2 3.77Å
149	K	93.8	Very high	82.6	Confident	142 Å²	142	86.9 Å²	86.9	62%	0.617	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.8	-174.2	-64.2	177.4	-176.5	172.5	0	109.8	I151 L476 E477	K149-I151 PolarHBondContact O-N 3.48Å; K149-L476 CarbonylContact O-C 3.1Å; K149-L476 VanDerWaalsContact O-CA 3.29Å; K149-L476 WeakPolarHBondContact O-CA 3.16Å; K149-E477 PolarHBondContact N-O 2.96Å; K149-E477 PolarHBondContact O-N 2.93Å
150	T	94.6	Very high	83.7	Confident	82 Å²	82	85 Å²	85	50%	0.503	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	119.2	174	-55.4	0	0	0	0	110	V153 T474 I475 L476	T150-V153 HydrophobicContact CG2-CG2 3.77Å; T150-T474 HydrophobicContact CG2-CG2 3.56Å; T150-I475 WeakPolarHBondContact CA-O 3.22Å; T150-L476 VanDerWaalsContact OG1-CD2 3.3Å; T150-L476 WeakPolarHBondContact OG1-CD2 3.06Å
151	I	92.3	Very high	84.8	Confident	76 Å²	76	84.2 Å²	84.2	39%	0.39	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-52.5	176	-66	162.1	0	0	0	110.1	K149 L463 I475 E477	K149-I151 PolarHBondContact O-N 3.48Å; I151-L463 HydrophobicContact CD1-CD2 3.28Å; I151-I475 PolarHBondContact N-O 2.81Å; I151-E477 HydrophobicContact CD1-CB 3.47Å; I151-E477 VanDerWaalsContact CD1-CB 3.47Å; I151-E477 HydrophobicContact CD1-CG 3.91Å; I151-E477 HydrophobicContact CG1-CB 3.89Å
152	N	92.4	Very high	86.2	Confident	34 Å²	34	80.3 Å²	80.3	18%	0.182	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.2	-171	-83.9	-31.6	0	0	0	110.5	L200 I475	N152-L200 PolarHBondContact ND2-O 3.27Å; N152-I475 HydrophobicContact CB-CB 4.34Å; N152-I475 HydrophobicContact CB-CD1 4.19Å; N152-I475 PolarHBondContact O-N 3.38Å
153	V	94	Very high	88	Confident	61 Å²	61	76 Å²	76	37%	0.37	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	108.8	175.4	-179.4	0	0	0	0	107.5	T150 K155 I472 T474	T150-V153 HydrophobicContact CG2-CG2 3.77Å; V153-K155 HydrophobicContact CG1-CG 4.22Å; V153-I472 HydrophobicContact CG1-CG2 3.25Å; V153-T474 HydrophobicContact CG2-CG2 4.35Å
154	L	94.4	Very high	89.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.7	179.3	-54.9	172.3	0	0	0	108.1	L177 W198 L200 P203 C473 I475	L154-L177 HydrophobicContact CD1-CD2 4.01Å; L154-W198 HydrophobicContact CB-CD2 4.19Å; L154-W198 HydrophobicContact CB-CG 4.32Å; L154-W198 HydrophobicContact CD1-CB 3.59Å; L154-W198 HydrophobicContact CD1-CD2 4.36Å; L154-W198 HydrophobicContact CD1-CG 3.7Å; L154-W198 HydrophobicContact CD2-CB 4.03Å; L154-W198 HydrophobicContact CD2-CD2 4.07Å; L154-W198 HydrophobicContact CD2-CE3 3.98Å; L154-W198 HydrophobicContact CD2-CG 4.13Å; L154-W198 HydrophobicContact CG-CB 4.37Å; L154-W198 HydrophobicContact CG-CD2 4.43Å; L154-W198 HydrophobicContact CG-CG 4.27Å; L154-L200 HydrophobicContact CD1-CD2 4.26Å; L154-P203 HydrophobicContact CD2-CB 3.7Å; L154-C473 HydrophobicContact CB-CB 4.17Å; L154-C473 PolarHBondContact N-O 3.45Å; L154-C473 PolarHBondContact O-N 3.24Å; L154-I475 HydrophobicContact CD1-CD1 3.87Å; L154-I475 HydrophobicContact CG-CD1 4.29Å
155	K	93	Very high	90.5	Very high	130 Å²	130	62.6 Å²	62.6	57%	0.565	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	139	-176.8	-62.3	-176.3	179.8	179.5	0	109.7	V153 I157 W198 I472	V153-K155 HydrophobicContact CG1-CG 4.22Å; K155-I157 PolarHBondContact O-N 2.81Å; K155-W198 WeakPolarHBondContact O-CH2 3.5Å; K155-W198 WeakPolarHBondContact O-CZ2 3.45Å; K155-I472 HydrophobicContact CG-CG1 4.38Å
156	D	90.3	Very high	91.2	Very high	22 Å²	22	58.7 Å²	58.7	12%	0.118	30%	0.304	C	S	.	.			trans	-52.2	136.5	167.5	-162.4	-15.3	0	0	0	109.8	N158 R162 Y181 Y196 G471	D156-N158 VanDerWaalsContact C-N 3.33Å; D156-N158 WeakPolarHBondContact OD1-CB 3.42Å; D156-N158 PolarHBondContact OD1-N 3.28Å; D156-R162 VanDerWaalsContact CG-NH2 3.31Å; D156-R162 IonicContact OD1-CZ 3.83Å; D156-R162 IonicContact OD1-NE 3.39Å; D156-R162 IonicContact OD1-NH2 2.58Å; D156-R162 PolarHBondContact OD1-NH2 3.37Å; D156-R162 IonicContact OD2-CZ 3.59Å; D156-R162 VanDerWaalsContact OD2-CZ 3.25Å; D156-R162 IonicContact OD2-NE 3.09Å; D156-R162 PolarHBondContact OD2-NE 3.27Å; D156-R162 IonicContact OD2-NH2 3.01Å; D156-R162 PolarHBondContact OD2-NH2 3.14Å; D156-Y181 HydrophobicContact CB-CD1 4.07Å; D156-Y181 HydrophobicContact CB-CE1 3.71Å; D156-Y181 WeakPolarHBondContact OD2-CD1 3.4Å; D156-Y196 VanDerWaalsContact OD1-CE2 3.3Å; D156-Y196 WeakPolarHBondContact OD1-CE2 3.45Å; D156-G471 PolarHBondContact N-O 3.47Å
157	I	90.1	Very high	91.6	Very high	87 Å²	87	56 Å²	56	45%	0.446	29%	0.286	S	S	.	.	S	Bend	trans	-83.2	-22.3	-178.4	-53	160.1	0	0	0	109.9	K155 Y196 W198 P206	K155-I157 PolarHBondContact O-N 2.81Å; I157-Y196 HydrophobicContact CD1-CD1 4.38Å; I157-Y196 HydrophobicContact CD1-CD2 4.46Å; I157-Y196 HydrophobicContact CD1-CE1 4.06Å; I157-Y196 HydrophobicContact CD1-CE2 4.18Å; I157-Y196 HydrophobicContact CG1-CE2 4.38Å; I157-W198 HydrophobicContact CD1-CH2 4.06Å; I157-W198 HydrophobicContact CD1-CZ2 4.48Å; I157-W198 HydrophobicContact CG1-CH2 3.78Å; I157-W198 HydrophobicContact CG1-CZ2 4.29Å; I157-P206 HydrophobicContact CD1-CB 4.38Å; I157-P206 HydrophobicContact CD1-CG 3.37Å
158	N	86.1	Confident	91.8	Very high	38 Å²	38	54.1 Å²	54.1	20%	0.203	27%	0.274	C	S	.	.	S	Bend	trans	-68.8	141.1	179.6	-163.1	2.2	0	0	0	110.6	D156 H160 S192	D156-N158 VanDerWaalsContact C-N 3.33Å; D156-N158 WeakPolarHBondContact OD1-CB 3.42Å; D156-N158 PolarHBondContact OD1-N 3.28Å; N158-H160 PolarHBondContact O-N 2.93Å; N158-S192 VanDerWaalsContact ND2-CB 3.34Å; N158-S192 WeakPolarHBondContact ND2-CB 3.43Å
159	D	80	Confident	91.9	Very high	158 Å²	158	54.2 Å²	54.2	85%	0.845	27%	0.27	S	S	*	.	S	Bend	trans	-65.6	-29.1	179.5	-66.8	-38.2	0	0	0	111.7
160	H	82.4	Confident	91.9	Very high	100 Å²	100	48.5 Å²	48.5	46%	0.463	25%	0.245	S	C	.	.	S	Bend	trans	-86.2	125.2	175.7	-62.4	-79.7	0	0	0	110.4	N158 R162 L191	N158-H160 PolarHBondContact O-N 2.93Å; H160-R162 PolarHBondContact O-N 2.62Å; H160-L191 WeakPolarHBondContact CD2-CD1 2.9Å; H160-L191 WeakPolarHBondContact NE2-CD1 3.48Å
161	K	84.4	Confident	91.7	Very high	143 Å²	143	46.4 Å²	46.4	62%	0.622	23%	0.232	S	C	*	.			trans	-62	125.5	174.7	-65.3	-174.9	173.9	-170.4	0	110.1	E450	K161-E450 IonicContact NZ-OE1 2.94Å; K161-E450 PolarHBondContact NZ-OE1 3.03Å
162	R	91.5	Very high	91.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	24%	0.244	C	C	.	.			trans	-126.5	135.6	174.3	-60.1	177.9	-63.1	159.6	7.2	108	D156 H160 S190 S192 D194 G471	D156-R162 VanDerWaalsContact CG-NH2 3.31Å; D156-R162 IonicContact OD1-CZ 3.83Å; D156-R162 IonicContact OD1-NE 3.39Å; D156-R162 IonicContact OD1-NH2 2.58Å; D156-R162 PolarHBondContact OD1-NH2 3.37Å; D156-R162 IonicContact OD2-CZ 3.59Å; D156-R162 VanDerWaalsContact OD2-CZ 3.25Å; D156-R162 IonicContact OD2-NE 3.09Å; D156-R162 PolarHBondContact OD2-NE 3.27Å; D156-R162 IonicContact OD2-NH2 3.01Å; D156-R162 PolarHBondContact OD2-NH2 3.14Å; H160-R162 PolarHBondContact O-N 2.62Å; R162-S190 VanDerWaalsContact CD-OG 3.29Å; R162-S190 WeakPolarHBondContact CD-OG 3.17Å; R162-S192 PolarHBondContact NH1-O 3.34Å; R162-D194 VanDerWaalsContact CZ-O 3.32Å; R162-D194 PolarHBondContact NH1-O 3.37Å; R162-D194 PolarHBondContact NH2-O 3.21Å; R162-G471 WeakPolarHBondContact O-CA 3.48Å; R162-G471 PolarHBondContact O-N 3.49Å; R162-G471 VanDerWaalsContact O-N 3.1Å
163	S	93.7	Very high	91.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.248	C	C	.	.			trans	-65.5	142.7	179.1	42.8	0	0	0	0	112.4	T165 Y181 C182 H469	S163-T165 PolarHBondContact O-N 2.81Å; S163-Y181 WeakPolarHBondContact O-CA 3.4Å; S163-C182 PolarHBondContact N-O 2.82Å; S163-C182 PolarHBondContact O-N 3.42Å; S163-C182 VanDerWaalsContact O-O 3.05Å; S163-C182 PolarHBondContact OG-O 2.6Å; S163-H469 WeakPolarHBondContact CA-O 3.46Å; S163-H469 PolarHBondContact N-O 3.06Å
164	V	95.9	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	110	165.7	-177.1	0	0	0	0	107.3	L167 V179 Y181 S468 C473	V164-L167 HydrophobicContact CG1-CD2 3.77Å; V164-L167 HydrophobicContact CG1-CG 4.14Å; V164-V179 HydrophobicContact CB-CG1 4.45Å; V164-V179 HydrophobicContact CG1-CG1 3.54Å; V164-V179 HydrophobicContact CG2-CG1 4.14Å; V164-Y181 HydrophobicContact CG2-CD1 4.06Å; V164-Y181 HydrophobicContact CG2-CE1 3.69Å; V164-S468 PolarHBondContact N-O 3.38Å; V164-S468 VanDerWaalsContact N-O 3.08Å; V164-C473 HydrophobicContact CG2-CB 4.5Å
165	T	94.7	Very high	90.4	Very high	24 Å²	24	49.7 Å²	49.7	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-29.5	-175.7	53.7	0	0	0	0	112.4	S163 A180 C182 T184 L216 V217	S163-T165 PolarHBondContact O-N 2.81Å; T165-A180 PolarHBondContact N-O 3.37Å; T165-A180 VanDerWaalsContact N-O 3.07Å; T165-C182 HydrophobicContact CG2-CB 3.79Å; T165-C182 WeakPolarHBondContact CG2-O 3.37Å; T165-T184 HydrophobicContact CG2-CG2 4.18Å; T165-L216 PolarHBondContact OG1-O 3.14Å; T165-V217 VanDerWaalsContact CB-O 3.29Å; T165-V217 WeakPolarHBondContact CB-O 3.39Å; T165-V217 PolarHBondContact OG1-O 2.97Å
166	H	96.9	Very high	90.4	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.046	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	152.1	-177.9	-168.9	-77.7	0	0	0	112	A180 V217 C218 I219 E220 K265	H166-A180 HydrophobicContact CB-CB 4.23Å; H166-A180 PolarHBondContact O-N 3.23Å; H166-V217 WeakPolarHBondContact CB-O 3.05Å; H166-C218 HydrophobicContact CB-CB 4.26Å; H166-I219 PolarHBondContact CE1-O 3.14Å; H166-I219 PolarHBondContact ND1-N 3.11Å; H166-I219 PolarHBondContact ND1-O 3.1Å; H166-E220 VanDerWaalsContact CE1-CD 3.42Å; H166-E220 IonicContact CE1-OE1 3.42Å; H166-E220 PolarHBondContact CE1-OE1 2.73Å; H166-E220 IonicContact NE2-OE1 3.84Å; H166-E220 PolarHBondContact NE2-OE1 2.7Å; H166-K265 PolarHBondContact NE2-NZ 2.99Å
167	L	97	Very high	90.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.6	-177.5	-64.3	171.7	0	0	0	109.7	V164 L177 A178 V179 K456 A465 C473	V164-L167 HydrophobicContact CG1-CD2 3.77Å; V164-L167 HydrophobicContact CG1-CG 4.14Å; L167-L177 HydrophobicContact CD2-CD2 4.13Å; L167-L177 HydrophobicContact CD2-CG 4.46Å; L167-A178 WeakPolarHBondContact CA-O 3.42Å; L167-V179 HydrophobicContact CD2-CB 4.09Å; L167-V179 HydrophobicContact CD2-CG1 3.78Å; L167-V179 HydrophobicContact CD2-CG2 3.64Å; L167-K456 HydrophobicContact CB-CB 4.21Å; L167-K456 HydrophobicContact CB-CG 3.91Å; L167-K456 WeakPolarHBondContact O-CE 3.21Å; L167-K456 WeakPolarHBondContact O-CG 3.43Å; L167-A465 HydrophobicContact CD1-CB 3.85Å; L167-C473 HydrophobicContact CD2-CB 4.46Å
168	S	96.3	Very high	91	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	127.6	169.6	-168.2	0	0	0	0	111.6	A178 I219 E220 Y221	S168-A178 PolarHBondContact N-O 3.41Å; S168-A178 PolarHBondContact O-N 2.96Å; S168-I219 VanDerWaalsContact CB-O 3.25Å; S168-I219 WeakPolarHBondContact CB-O 3.27Å; S168-E220 WeakPolarHBondContact CB-OE2 3.44Å; S168-E220 WeakPolarHBondContact OG-CA 3.41Å; S168-E220 PolarHBondContact OG-OE2 2.86Å; S168-Y221 PolarHBondContact OG-N 3.02Å
169	W	95.9	Very high	91.6	Very high	22 Å²	22	38.4 Å²	38.4	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	143	179.8	-76.1	105.6	0	0	0	111.1	L177 L200 Y221 K456 Q458 L463 A465 I475	W169-L177 HydrophobicContact CD2-CD1 3.59Å; W169-L177 HydrophobicContact CE3-CB 4.47Å; W169-L177 HydrophobicContact CE3-CD1 3.79Å; W169-L177 HydrophobicContact CG-CD1 4Å; W169-L177 HydrophobicContact CH2-CD1 4.4Å; W169-L177 HydrophobicContact CZ2-CD1 4.23Å; W169-L177 HydrophobicContact CZ3-CB 4.43Å; W169-L177 HydrophobicContact CZ3-CD1 4.19Å; W169-L200 HydrophobicContact CH2-CD1 4.05Å; W169-L200 HydrophobicContact CZ3-CD1 3.86Å; W169-Y221 WeakPolarHBondContact O-CD2 3Å; W169-K456 PolarHBondContact NE1-O 3.1Å; W169-Q458 HydrophobicContact CD2-CB 4.25Å; W169-Q458 HydrophobicContact CD2-CG 4.4Å; W169-Q458 HydrophobicContact CE3-CG 4.47Å; W169-Q458 HydrophobicContact CZ2-CB 4.4Å; W169-L463 HydrophobicContact CH2-CB 4.18Å; W169-L463 HydrophobicContact CH2-CD1 4.31Å; W169-L463 HydrophobicContact CZ2-CB 4.22Å; W169-A465 HydrophobicContact CH2-CB 4.41Å; W169-A465 HydrophobicContact CZ2-CB 3.59Å; W169-I475 HydrophobicContact CH2-CD1 4.47Å; W169-I475 HydrophobicContact CH2-CG2 4.24Å
170	F	94.5	Very high	92.3	Very high	21 Å²	21	30.9 Å²	30.9	9%	0.092	16%	0.163	C	C	.	.			trans	-64	137.6	168.9	-175	-118.8	0	0	0	110.4	D172 K176 Y221 S226 R243	F170-D172 HydrophobicContact CD1-CB 4.25Å; F170-D172 VanDerWaalsContact CD1-O 3.31Å; F170-D172 WeakPolarHBondContact CD1-O 3.42Å; F170-D172 HydrophobicContact CE1-CB 3.61Å; F170-D172 VanDerWaalsContact CE1-O 3.23Å; F170-D172 WeakPolarHBondContact CE1-O 3.5Å; F170-D172 HydrophobicContact CZ-CB 3.97Å; F170-K176 HydrophobicContact CB-CB 3.69Å; F170-K176 WeakPolarHBondContact CB-O 3.37Å; F170-K176 HydrophobicContact CD1-CB 4.33Å; F170-K176 HydrophobicContact CD1-CD 4.3Å; F170-K176 HydrophobicContact CE1-CD 4.41Å; F170-K176 HydrophobicContact CG-CB 4Å; F170-K176 HydrophobicContact CG-CD 4.4Å; F170-K176 PolarHBondContact N-O 2.99Å; F170-Y221 HydrophobicContact CB-CE2 4.37Å; F170-Y221 HydrophobicContact CD2-CD1 4.26Å; F170-Y221 AromaticContact CD2-CE1 3.76Å; F170-Y221 HydrophobicContact CD2-CE1 3.76Å; F170-Y221 AromaticContact CD2-CZ 3.95Å; F170-Y221 HydrophobicContact CE2-CE1 4.41Å; F170-S226 VanDerWaalsContact CE2-CB 3.42Å; F170-S226 VanDerWaalsContact CE2-O 3.26Å; F170-S226 WeakPolarHBondContact CE2-O 3.11Å; F170-R243 VanDerWaalsContact CD2-NH1 3.31Å
171	T	90.1	Very high	92.9	Very high	38 Å²	38	26.1 Å²	26.1	23%	0.233	14%	0.141	C	C	.	.	S	Bend	trans	-80.9	-22.5	-170.3	50.1	0	0	0	0	113.1	G173 N222 S226	T171-G173 PolarHBondContact O-N 2.69Å; T171-N222 WeakPolarHBondContact CG2-O 3.44Å; T171-S226 WeakPolarHBondContact OG1-CA 3.28Å; T171-S226 VanDerWaalsContact OG1-CB 3.32Å; T171-S226 WeakPolarHBondContact OG1-CB 3.36Å
172	D	88.7	Confident	93.3	Very high	120 Å²	120	19.3 Å²	19.3	64%	0.642	11%	0.112	S	C	*	.	S	Bend	trans	-101	67.2	176.5	-168.7	20.2	0	0	0	110.8	F170	F170-D172 HydrophobicContact CD1-CB 4.25Å; F170-D172 VanDerWaalsContact CD1-O 3.31Å; F170-D172 WeakPolarHBondContact CD1-O 3.42Å; F170-D172 HydrophobicContact CE1-CB 3.61Å; F170-D172 VanDerWaalsContact CE1-O 3.23Å; F170-D172 WeakPolarHBondContact CE1-O 3.5Å; F170-D172 HydrophobicContact CZ-CB 3.97Å
173	G	83.3	Confident	93.2	Very high	26 Å²	26	20.4 Å²	20.4	27%	0.268	12%	0.118	S	C	.	.	S	Bend	trans	89.9	171	174.6	0	0	0	0	0	116.5	T171 T175	T171-G173 PolarHBondContact O-N 2.69Å; G173-T175 PolarHBondContact O-N 3.12Å
174	P	84.1	Confident	92.8	Very high	44 Å²	44	22.7 Å²	22.7	29%	0.286	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	13.5	-173.3	22.2	-28	0	0	0	116	L200 Q458 L463	P174-L200 WeakPolarHBondContact O-CD1 3.32Å; P174-Q458 HydrophobicContact CB-CG 4.33Å; P174-Q458 VanDerWaalsContact CB-NE2 3.28Å; P174-L463 HydrophobicContact CB-CD1 3.88Å
175	T	89.4	Confident	92.3	Very high	50 Å²	50	27.9 Å²	27.9	31%	0.307	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-28.7	-165.1	55.9	0	0	0	0	112.8	G173 D199 L200	G173-T175 PolarHBondContact O-N 3.12Å; T175-D199 CarbonylContact O-C 3.59Å; T175-D199 WeakPolarHBondContact O-CA 3.34Å; T175-D199 VanDerWaalsContact O-OD1 3.1Å; T175-L200 PolarHBondContact O-N 2.63Å
176	K	94	Very high	91.5	Very high	40 Å²	40	34.6 Å²	34.6	17%	0.174	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.7	-167.2	-63.9	164	-176.6	-164.4	0	112.3	F170 I197 W198 D199 E207	F170-K176 HydrophobicContact CB-CB 3.69Å; F170-K176 WeakPolarHBondContact CB-O 3.37Å; F170-K176 HydrophobicContact CD1-CB 4.33Å; F170-K176 HydrophobicContact CD1-CD 4.3Å; F170-K176 HydrophobicContact CE1-CD 4.41Å; F170-K176 HydrophobicContact CG-CB 4Å; F170-K176 HydrophobicContact CG-CD 4.4Å; F170-K176 PolarHBondContact N-O 2.99Å; K176-I197 HydrophobicContact CB-CG2 4.45Å; K176-W198 CarbonylContact C-O 3.55Å; K176-W198 WeakPolarHBondContact CA-O 3.28Å; K176-D199 HydrophobicContact CG-CB 4.42Å; K176-E207 WeakPolarHBondContact CD-OE2 3.49Å; K176-E207 WeakPolarHBondContact CE-OE2 3.08Å; K176-E207 IonicContact NZ-OE1 3.43Å; K176-E207 PolarHBondContact NZ-OE1 2.82Å; K176-E207 IonicContact NZ-OE2 3.29Å; K176-E207 PolarHBondContact NZ-OE2 3.36Å
177	L	96	Very high	90.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.2	-179.3	-173.6	70.9	0	0	0	109.5	L154 L167 W169 V179 I197 W198 A465 C473 I475	L154-L177 HydrophobicContact CD1-CD2 4.01Å; L167-L177 HydrophobicContact CD2-CD2 4.13Å; L167-L177 HydrophobicContact CD2-CG 4.46Å; W169-L177 HydrophobicContact CD2-CD1 3.59Å; W169-L177 HydrophobicContact CE3-CB 4.47Å; W169-L177 HydrophobicContact CE3-CD1 3.79Å; W169-L177 HydrophobicContact CG-CD1 4Å; W169-L177 HydrophobicContact CH2-CD1 4.4Å; W169-L177 HydrophobicContact CZ2-CD1 4.23Å; W169-L177 HydrophobicContact CZ3-CB 4.43Å; W169-L177 HydrophobicContact CZ3-CD1 4.19Å; L177-V179 HydrophobicContact CD2-CG2 4Å; L177-V179 HydrophobicContact CG-CG2 4.03Å; L177-I197 WeakPolarHBondContact O-CA 3.31Å; L177-W198 PolarHBondContact N-O 2.97Å; L177-W198 PolarHBondContact O-N 3.08Å; L177-A465 HydrophobicContact CD1-CB 4.31Å; L177-A465 HydrophobicContact CD2-CB 3.85Å; L177-C473 VanDerWaalsContact CD2-SG 3.55Å; L177-I475 HydrophobicContact CD2-CD1 4.32Å
178	A	96.8	Very high	89.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.7	168.8	0	0	0	0	0	109.3	L167 S168 I197 I219 Y221 L229	L167-A178 WeakPolarHBondContact CA-O 3.42Å; S168-A178 PolarHBondContact N-O 3.41Å; S168-A178 PolarHBondContact O-N 2.96Å; A178-I197 HydrophobicContact CB-CG1 4.37Å; A178-I219 HydrophobicContact CB-CD1 3.99Å; A178-I219 HydrophobicContact CB-CG1 4.32Å; A178-I219 HydrophobicContact CB-CG2 4.26Å; A178-Y221 HydrophobicContact CB-CD2 4.1Å; A178-Y221 HydrophobicContact CB-CE2 3.42Å; A178-Y221 VanDerWaalsContact CB-CE2 3.42Å; A178-L229 HydrophobicContact CB-CD2 4.16Å
179	V	97.1	Very high	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.8	-175.8	-174.6	0	0	0	0	108.6	V164 L167 L177 Y181 S195 Y196	V164-V179 HydrophobicContact CB-CG1 4.45Å; V164-V179 HydrophobicContact CG1-CG1 3.54Å; V164-V179 HydrophobicContact CG2-CG1 4.14Å; L167-V179 HydrophobicContact CD2-CB 4.09Å; L167-V179 HydrophobicContact CD2-CG1 3.78Å; L167-V179 HydrophobicContact CD2-CG2 3.64Å; L177-V179 HydrophobicContact CD2-CG2 4Å; L177-V179 HydrophobicContact CG-CG2 4.03Å; V179-Y181 HydrophobicContact CB-CD2 4.4Å; V179-Y181 HydrophobicContact CB-CE2 3.63Å; V179-Y181 HydrophobicContact CG1-CD2 3.98Å; V179-Y181 HydrophobicContact CG1-CE1 4Å; V179-Y181 HydrophobicContact CG1-CE2 3.33Å; V179-Y181 WeakPolarHBondContact O-CD2 3.31Å; V179-S195 WeakPolarHBondContact O-CB 3.48Å; V179-Y196 PolarHBondContact N-O 2.9Å; V179-Y196 PolarHBondContact O-N 3.25Å
180	A	96.5	Very high	86.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.8	173.3	0	0	0	0	0	109.8	T165 H166 L216 I219	T165-A180 PolarHBondContact N-O 3.37Å; T165-A180 VanDerWaalsContact N-O 3.07Å; H166-A180 HydrophobicContact CB-CB 4.23Å; H166-A180 PolarHBondContact O-N 3.23Å; A180-L216 HydrophobicContact CB-CB 4.06Å; A180-I219 HydrophobicContact CB-CB 4.28Å; A180-I219 HydrophobicContact CB-CG2 3.8Å
181	Y	95	Very high	86	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.1	176.5	-63.2	-92.4	0	0	0	109.3	D156 S163 V164 V179 S195 Y196 W198	D156-Y181 HydrophobicContact CB-CD1 4.07Å; D156-Y181 HydrophobicContact CB-CE1 3.71Å; D156-Y181 WeakPolarHBondContact OD2-CD1 3.4Å; S163-Y181 WeakPolarHBondContact O-CA 3.4Å; V164-Y181 HydrophobicContact CG2-CD1 4.06Å; V164-Y181 HydrophobicContact CG2-CE1 3.69Å; V179-Y181 HydrophobicContact CB-CD2 4.4Å; V179-Y181 HydrophobicContact CB-CE2 3.63Å; V179-Y181 HydrophobicContact CG1-CD2 3.98Å; V179-Y181 HydrophobicContact CG1-CE1 4Å; V179-Y181 HydrophobicContact CG1-CE2 3.33Å; V179-Y181 WeakPolarHBondContact O-CD2 3.31Å; Y181-S195 PolarHBondContact N-OG 3.31Å; Y181-Y196 AromaticContact CD2-CD2 3.86Å; Y181-Y196 HydrophobicContact CD2-CD2 3.86Å; Y181-Y196 HydrophobicContact CD2-CE2 4.27Å; Y181-Y196 AromaticContact CE2-CD2 3.38Å; Y181-Y196 HydrophobicContact CE2-CD2 3.38Å; Y181-Y196 HydrophobicContact CE2-CE2 4.1Å; Y181-Y196 HydrophobicContact CE2-CG 4.21Å; Y181-W198 PolarHBondContact OH-NE1 3.12Å; Y181-W198 VanDerWaalsContact OH-NE1 3.17Å
182	C	92.4	Very high	85.9	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	31%	0.308	C	S	.	.			trans	-150.3	138.7	177.4	170.3	0	0	0	0	108.7	S163 T165 P215 L216	S163-C182 PolarHBondContact N-O 2.82Å; S163-C182 PolarHBondContact O-N 3.42Å; S163-C182 VanDerWaalsContact O-O 3.05Å; S163-C182 PolarHBondContact OG-O 2.6Å; T165-C182 HydrophobicContact CG2-CB 3.79Å; T165-C182 WeakPolarHBondContact CG2-O 3.37Å; C182-P215 HydrophobicContact CB-CB 3.95Å; C182-L216 WeakPolarHBondContact CB-O 3.5Å
183	N	89.9	Confident	86	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.134	29%	0.29	C	S	.	.			trans	-91.2	118.4	166.3	-166.9	-9.6	0	0	0	108.4	E185 S188	N183-E185 VanDerWaalsContact C-N 3.34Å; N183-E185 WeakPolarHBondContact OD1-CB 3.42Å; N183-E185 PolarHBondContact OD1-N 3Å; N183-S188 WeakPolarHBondContact ND2-CB 3.48Å; N183-S188 PolarHBondContact ND2-OG 3.25Å
184	T	84	Confident	86.5	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	29%	0.286	S	S	.	.			trans	-83.6	-12.7	-179.7	52.4	0	0	0	0	112.8	T165 F186 W264	T165-T184 HydrophobicContact CG2-CG2 4.18Å; T184-F186 PolarHBondContact O-N 3.05Å; T184-F186 VanDerWaalsContact O-N 3.11Å; T184-W264 HydrophobicContact CG2-CH2 4Å; T184-W264 HydrophobicContact CG2-CZ3 4.1Å
185	E	85.1	Confident	87.1	Confident	108 Å²	108	53.1 Å²	53.1	51%	0.505	27%	0.272	S	S	.	.			trans	-72.3	103.3	174.9	-63.7	-176.8	170.7	0	0	110.1	N183 Q187 S188	N183-E185 VanDerWaalsContact C-N 3.34Å; N183-E185 WeakPolarHBondContact OD1-CB 3.42Å; N183-E185 PolarHBondContact OD1-N 3Å; E185-Q187 PolarHBondContact O-N 3.36Å; E185-S188 PolarHBondContact O-N 3.09Å
186	F	77.7	Confident	87.4	Confident	166 Å²	166	51.2 Å²	51.2	73%	0.728	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.1	-175.6	73	-88.3	0	0	0	114.7	T184	T184-F186 PolarHBondContact O-N 3.05Å; T184-F186 VanDerWaalsContact O-N 3.11Å
187	Q	81.5	Confident	87.5	Confident	160 Å²	160	49.3 Å²	49.3	75%	0.748	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.9	178.4	-62	-173.2	-13.9	0	0	112.9	E185	E185-Q187 PolarHBondContact O-N 3.36Å
188	S	76.2	Confident	87.5	Confident	56 Å²	56	49.5 Å²	49.5	39%	0.392	25%	0.252	S	S	.	.	S	Bend	trans	-90.6	113.8	-177.7	-172.3	0	0	0	0	110	N183 E185 S190	N183-S188 WeakPolarHBondContact ND2-CB 3.48Å; N183-S188 PolarHBondContact ND2-OG 3.25Å; E185-S188 PolarHBondContact O-N 3.09Å; S188-S190 PolarHBondContact O-N 3.31Å; S188-S190 VanDerWaalsContact O-N 3.15Å
189	Q	64.8	Low	87.3	Confident	185 Å²	185	50.7 Å²	50.7	86%	0.864	26%	0.258	S	S	*	.			trans	-77	102.6	175.9	-68.3	-174.7	-13.1	0	0	109.5	L191	Q189-L191 PolarHBondContact O-N 3.27Å
190	S	68.1	Low	87.1	Confident	35 Å²	35	51.7 Å²	51.7	25%	0.245	26%	0.263	C	S	.	.			trans	-70	126.9	167	-177.7	0	0	0	0	109.6	R162 S188 S192	R162-S190 VanDerWaalsContact CD-OG 3.29Å; R162-S190 WeakPolarHBondContact CD-OG 3.17Å; S188-S190 PolarHBondContact O-N 3.31Å; S188-S190 VanDerWaalsContact O-N 3.15Å; S190-S192 VanDerWaalsContact C-N 3.31Å; S190-S192 PolarHBondContact OG-N 3.23Å; S190-S192 PolarHBondContact OG-O 3.28Å
191	L	75.5	Confident	86.9	Confident	133 Å²	133	57.2 Å²	57.2	70%	0.696	29%	0.293	S	S	*	.	S	Bend	trans	-74.6	-22.3	176.9	-76.7	142.7	0	0	0	113.1	H160 Q189	H160-L191 WeakPolarHBondContact CD2-CD1 2.9Å; H160-L191 WeakPolarHBondContact NE2-CD1 3.48Å; Q189-L191 PolarHBondContact O-N 3.27Å
192	S	87.4	Confident	86.7	Confident	23 Å²	23	62.1 Å²	62.1	16%	0.161	32%	0.319	C	S	.	.			trans	-129	136.2	-176.5	-174.3	0	0	0	0	112.1	N158 R162 S190 D194	N158-S192 VanDerWaalsContact ND2-CB 3.34Å; N158-S192 WeakPolarHBondContact ND2-CB 3.43Å; R162-S192 PolarHBondContact NH1-O 3.34Å; S190-S192 VanDerWaalsContact C-N 3.31Å; S190-S192 PolarHBondContact OG-N 3.23Å; S190-S192 PolarHBondContact OG-O 3.28Å; S192-D194 WeakPolarHBondContact OG-CB 3.43Å; S192-D194 PolarHBondContact OG-N 3.38Å
193	N	91.3	Very high	86.5	Confident	49 Å²	49	63.7 Å²	63.7	26%	0.262	33%	0.329	S	S	.	.			trans	-95.8	-2.1	174.3	-59.1	-14.4	0	0	0	111.6	P212 A213 P215	N193-P212 HydrophobicContact CB-CG 4.14Å; N193-P212 VanDerWaalsContact O-CD 3.26Å; N193-P212 WeakPolarHBondContact O-CD 3.19Å; N193-P212 WeakPolarHBondContact O-CG 3.49Å; N193-A213 PolarHBondContact ND2-O 2.94Å; N193-P215 HydrophobicContact CB-CG 4.34Å; N193-P215 WeakPolarHBondContact OD1-CD 3.4Å; N193-P215 VanDerWaalsContact OD1-CG 3.29Å; N193-P215 WeakPolarHBondContact OD1-CG 3.36Å
194	D	94.5	Very high	86.5	Confident	34 Å²	34	69.6 Å²	69.6	18%	0.182	36%	0.361	C	S	.	.			trans	-68.6	135.6	-170.2	-69.1	0.7	0	0	0	111.4	R162 S192 Y196 I209 L210	R162-D194 VanDerWaalsContact CZ-O 3.32Å; R162-D194 PolarHBondContact NH1-O 3.37Å; R162-D194 PolarHBondContact NH2-O 3.21Å; S192-D194 WeakPolarHBondContact OG-CB 3.43Å; S192-D194 PolarHBondContact OG-N 3.38Å; D194-Y196 HydrophobicContact CB-CE1 4.19Å; D194-I209 HydrophobicContact CB-CG2 3.85Å; D194-L210 WeakPolarHBondContact CA-O 3.34Å
195	S	95.3	Very high	86.9	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	166.7	171	-70.5	0	0	0	0	110	V179 Y181 L210	V179-S195 WeakPolarHBondContact O-CB 3.48Å; Y181-S195 PolarHBondContact N-OG 3.31Å; S195-L210 PolarHBondContact N-O 2.64Å; S195-L210 PolarHBondContact O-N 3.01Å
196	Y	95.7	Very high	87.3	Confident	11 Å²	11	73.1 Å²	73.1	4%	0.043	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.8	-167.3	-55.3	-54	0	0	0	113.1	D156 I157 V179 Y181 D194 W198 P206 I209	D156-Y196 VanDerWaalsContact OD1-CE2 3.3Å; D156-Y196 WeakPolarHBondContact OD1-CE2 3.45Å; I157-Y196 HydrophobicContact CD1-CD1 4.38Å; I157-Y196 HydrophobicContact CD1-CD2 4.46Å; I157-Y196 HydrophobicContact CD1-CE1 4.06Å; I157-Y196 HydrophobicContact CD1-CE2 4.18Å; I157-Y196 HydrophobicContact CG1-CE2 4.38Å; V179-Y196 PolarHBondContact N-O 2.9Å; V179-Y196 PolarHBondContact O-N 3.25Å; Y181-Y196 AromaticContact CD2-CD2 3.86Å; Y181-Y196 HydrophobicContact CD2-CD2 3.86Å; Y181-Y196 HydrophobicContact CD2-CE2 4.27Å; Y181-Y196 AromaticContact CE2-CD2 3.38Å; Y181-Y196 HydrophobicContact CE2-CD2 3.38Å; Y181-Y196 HydrophobicContact CE2-CE2 4.1Å; Y181-Y196 HydrophobicContact CE2-CG 4.21Å; D194-Y196 HydrophobicContact CB-CE1 4.19Å; Y196-W198 AromaticContact CD2-CZ2 3.87Å; Y196-W198 HydrophobicContact CD2-CZ2 3.87Å; Y196-W198 HydrophobicContact CG-CZ2 4.3Å; Y196-P206 HydrophobicContact CD1-CB 4.04Å; Y196-P206 HydrophobicContact CD1-CG 4.04Å; Y196-P206 HydrophobicContact CG-CB 4.09Å; Y196-P206 HydrophobicContact CG-CG 4.43Å; Y196-I209 HydrophobicContact CD1-CB 4.16Å; Y196-I209 HydrophobicContact CD1-CG1 3.81Å; Y196-I209 HydrophobicContact CD1-CG2 3.99Å; Y196-I209 HydrophobicContact CE1-CB 4.24Å; Y196-I209 HydrophobicContact CE1-CD1 4.31Å; Y196-I209 HydrophobicContact CE1-CG1 3.85Å; Y196-I209 HydrophobicContact CE1-CG2 3.7Å
197	I	96.3	Very high	88.1	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.8	161.9	-56.4	178.2	0	0	0	106.9	K176 L177 A178 P206 E207 L208 L210 Y221 L229 R243	K176-I197 HydrophobicContact CB-CG2 4.45Å; L177-I197 WeakPolarHBondContact O-CA 3.31Å; A178-I197 HydrophobicContact CB-CG1 4.37Å; I197-P206 CarbonylContact O-C 3.58Å; I197-P206 WeakPolarHBondContact O-CA 3.45Å; I197-E207 PolarHBondContact O-N 3.3Å; I197-L208 HydrophobicContact CB-CB 4.2Å; I197-L208 HydrophobicContact CD1-CB 4.15Å; I197-L208 HydrophobicContact CD1-CD2 3.91Å; I197-L208 HydrophobicContact CG1-CB 4.42Å; I197-L208 PolarHBondContact N-O 3.23Å; I197-L208 PolarHBondContact O-N 2.96Å; I197-L210 HydrophobicContact CD1-CD1 4.44Å; I197-L210 HydrophobicContact CD1-CD2 4.27Å; I197-L210 HydrophobicContact CG1-CD1 4.21Å; I197-L210 HydrophobicContact CG1-CG 4.36Å; I197-Y221 WeakPolarHBondContact CG2-OH 3.4Å; I197-L229 HydrophobicContact CD1-CD1 3.57Å; I197-R243 HydrophobicContact CD1-CG 3.95Å
198	W	95.8	Very high	88.7	Confident	3 Å²	3	63.5 Å²	63.5	1%	0.011	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.3	179.1	-63.2	94.1	0	0	0	110.5	L154 K155 I157 K176 L177 Y181 Y196 P203 P206	L154-W198 HydrophobicContact CB-CD2 4.19Å; L154-W198 HydrophobicContact CB-CG 4.32Å; L154-W198 HydrophobicContact CD1-CB 3.59Å; L154-W198 HydrophobicContact CD1-CD2 4.36Å; L154-W198 HydrophobicContact CD1-CG 3.7Å; L154-W198 HydrophobicContact CD2-CB 4.03Å; L154-W198 HydrophobicContact CD2-CD2 4.07Å; L154-W198 HydrophobicContact CD2-CE3 3.98Å; L154-W198 HydrophobicContact CD2-CG 4.13Å; L154-W198 HydrophobicContact CG-CB 4.37Å; L154-W198 HydrophobicContact CG-CD2 4.43Å; L154-W198 HydrophobicContact CG-CG 4.27Å; K155-W198 WeakPolarHBondContact O-CH2 3.5Å; K155-W198 WeakPolarHBondContact O-CZ2 3.45Å; I157-W198 HydrophobicContact CD1-CH2 4.06Å; I157-W198 HydrophobicContact CD1-CZ2 4.48Å; I157-W198 HydrophobicContact CG1-CH2 3.78Å; I157-W198 HydrophobicContact CG1-CZ2 4.29Å; K176-W198 CarbonylContact C-O 3.55Å; K176-W198 WeakPolarHBondContact CA-O 3.28Å; L177-W198 PolarHBondContact N-O 2.97Å; L177-W198 PolarHBondContact O-N 3.08Å; Y181-W198 PolarHBondContact OH-NE1 3.12Å; Y181-W198 VanDerWaalsContact OH-NE1 3.17Å; Y196-W198 AromaticContact CD2-CZ2 3.87Å; Y196-W198 HydrophobicContact CD2-CZ2 3.87Å; Y196-W198 HydrophobicContact CG-CZ2 4.3Å; W198-P203 VanDerWaalsContact CZ3-O 3.25Å; W198-P203 WeakPolarHBondContact CZ3-O 3.33Å; W198-P206 HydrophobicContact CD2-CB 4.36Å; W198-P206 HydrophobicContact CE3-CB 4.29Å; W198-P206 HydrophobicContact CZ3-CB 4.41Å
199	D	94	Very high	89.6	Confident	25 Å²	25	63.8 Å²	63.8	13%	0.134	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.3	166.3	176.2	10.8	0	0	0	108.2	T175 K176 N201 N202	T175-D199 CarbonylContact O-C 3.59Å; T175-D199 WeakPolarHBondContact O-CA 3.34Å; T175-D199 VanDerWaalsContact O-OD1 3.1Å; K176-D199 HydrophobicContact CG-CB 4.42Å; D199-N201 PolarHBondContact O-N 3.4Å; D199-N201 PolarHBondContact OD1-N 2.93Å; D199-N201 VanDerWaalsContact OD1-N 3.09Å; D199-N201 PolarHBondContact OD1-ND2 2.66Å; D199-N202 CarbonylContact O-C 3.16Å; D199-N202 PolarHBondContact O-N 2.93Å; D199-N202 PolarHBondContact OD2-ND2 3.3Å
200	L	92	Very high	91.1	Very high	21 Å²	21	55 Å²	55	11%	0.11	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.6	-177.6	-60.3	-156.3	0	0	0	112.6	N152 L154 W169 P174 T175 N202 L463 I475	N152-L200 PolarHBondContact ND2-O 3.27Å; L154-L200 HydrophobicContact CD1-CD2 4.26Å; W169-L200 HydrophobicContact CH2-CD1 4.05Å; W169-L200 HydrophobicContact CZ3-CD1 3.86Å; P174-L200 WeakPolarHBondContact O-CD1 3.32Å; T175-L200 PolarHBondContact O-N 2.63Å; L200-N202 VanDerWaalsContact C-N 3.29Å; L200-L463 HydrophobicContact CD1-CD1 4.25Å; L200-I475 HydrophobicContact CD1-CD1 3.91Å; L200-I475 HydrophobicContact CD2-CD1 3.15Å; L200-I475 HydrophobicContact CG-CD1 4.17Å
201	N	91.9	Very high	92.4	Very high	117 Å²	117	58 Å²	58	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.1	174.4	-57.8	-62.3	0	0	0	111.9	D199	D199-N201 PolarHBondContact O-N 3.4Å; D199-N201 PolarHBondContact OD1-N 2.93Å; D199-N201 VanDerWaalsContact OD1-N 3.09Å; D199-N201 PolarHBondContact OD1-ND2 2.66Å
202	N	91.3	Very high	93.2	Very high	103 Å²	103	52.1 Å²	52.1	55%	0.551	26%	0.259	S	S	*	.			trans	-131.6	69	-176.5	-66.7	-58.4	0	0	0	111.1	D199 L200 N204 R205	D199-N202 CarbonylContact O-C 3.16Å; D199-N202 PolarHBondContact O-N 2.93Å; D199-N202 PolarHBondContact OD2-ND2 3.3Å; L200-N202 VanDerWaalsContact C-N 3.29Å; N202-N204 PolarHBondContact O-N 3.21Å; N202-N204 VanDerWaalsContact O-N 3.14Å; N202-R205 VanDerWaalsContact O-O 3.09Å
203	P	88.8	Confident	93.4	Very high	33 Å²	33	54 Å²	54	21%	0.214	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.1	-170.8	28.8	-36.6	0	0	0	114.7	L154 W198	L154-P203 HydrophobicContact CD2-CB 3.7Å; W198-P203 VanDerWaalsContact CZ3-O 3.25Å; W198-P203 WeakPolarHBondContact CZ3-O 3.33Å
204	N	89.6	Confident	93.5	Very high	150 Å²	150	52.3 Å²	52.3	80%	0.802	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.6	-174.6	-67	-34.6	0	0	0	113.9	N202	N202-N204 PolarHBondContact O-N 3.21Å; N202-N204 VanDerWaalsContact O-N 3.14Å
205	R	91.8	Very high	93.5	Very high	206 Å²	206	51.7 Å²	51.7	78%	0.777	27%	0.266	S	S	*	.	S	Bend	trans	-142.2	140.7	179.4	-70.2	-172.3	176.8	-178.3	-0.9	109.8	N202	N202-R205 VanDerWaalsContact O-O 3.09Å
206	P	93.7	Very high	93.5	Very high	25 Å²	25	51.7 Å²	51.7	16%	0.162	27%	0.266	C	S	.	.			trans	-68.6	144.8	176.1	33.6	-38.4	0	0	0	109	I157 Y196 I197 W198 I209	I157-P206 HydrophobicContact CD1-CB 4.38Å; I157-P206 HydrophobicContact CD1-CG 3.37Å; Y196-P206 HydrophobicContact CD1-CB 4.04Å; Y196-P206 HydrophobicContact CD1-CG 4.04Å; Y196-P206 HydrophobicContact CG-CB 4.09Å; Y196-P206 HydrophobicContact CG-CG 4.43Å; I197-P206 CarbonylContact O-C 3.58Å; I197-P206 WeakPolarHBondContact O-CA 3.45Å; W198-P206 HydrophobicContact CD2-CB 4.36Å; W198-P206 HydrophobicContact CE3-CB 4.29Å; W198-P206 HydrophobicContact CZ3-CB 4.41Å; P206-I209 HydrophobicContact CG-CD1 4.43Å; P206-I209 HydrophobicContact CG-CG1 3.91Å
207	E	93.5	Very high	93.5	Very high	92 Å²	92	51.3 Å²	51.3	43%	0.43	27%	0.265	S	S	.	.	S	Bend	trans	-68.9	-43.3	173.5	-174.4	-168	170.7	0	0	110.5	K176 I197 R243	K176-E207 WeakPolarHBondContact CD-OE2 3.49Å; K176-E207 WeakPolarHBondContact CE-OE2 3.08Å; K176-E207 IonicContact NZ-OE1 3.43Å; K176-E207 PolarHBondContact NZ-OE1 2.82Å; K176-E207 IonicContact NZ-OE2 3.29Å; K176-E207 PolarHBondContact NZ-OE2 3.36Å; I197-E207 PolarHBondContact O-N 3.3Å; E207-R243 IonicContact OE1-NH2 2.74Å; E207-R243 PolarHBondContact OE1-NH2 3.1Å; E207-R243 IonicContact OE2-CZ 2.92Å; E207-R243 IonicContact OE2-NH2 2.79Å; E207-R243 PolarHBondContact OE2-NH2 2.86Å
208	L	94.6	Very high	93.5	Very high	33 Å²	33	51.3 Å²	51.3	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135	179.9	-174	65.8	0	0	0	110.2	I197 L210 R243	I197-L208 HydrophobicContact CB-CB 4.2Å; I197-L208 HydrophobicContact CD1-CB 4.15Å; I197-L208 HydrophobicContact CD1-CD2 3.91Å; I197-L208 HydrophobicContact CG1-CB 4.42Å; I197-L208 PolarHBondContact N-O 3.23Å; I197-L208 PolarHBondContact O-N 2.96Å; L208-L210 HydrophobicContact CD2-CD2 3.88Å; L208-L210 HydrophobicContact CG-CD2 4.24Å; L208-R243 HydrophobicContact CD2-CB 4.41Å; L208-R243 HydrophobicContact CD2-CG 4.29Å
209	I	95.6	Very high	93.6	Very high	62 Å²	62	51.2 Å²	51.2	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.2	172.1	-57.2	174.8	0	0	0	107.6	D194 Y196 P206 K211 S247	D194-I209 HydrophobicContact CB-CG2 3.85Å; Y196-I209 HydrophobicContact CD1-CB 4.16Å; Y196-I209 HydrophobicContact CD1-CG1 3.81Å; Y196-I209 HydrophobicContact CD1-CG2 3.99Å; Y196-I209 HydrophobicContact CE1-CB 4.24Å; Y196-I209 HydrophobicContact CE1-CD1 4.31Å; Y196-I209 HydrophobicContact CE1-CG1 3.85Å; Y196-I209 HydrophobicContact CE1-CG2 3.7Å; P206-I209 HydrophobicContact CG-CD1 4.43Å; P206-I209 HydrophobicContact CG-CG1 3.91Å; I209-K211 HydrophobicContact CG2-CG 4.21Å; I209-S247 VanDerWaalsContact O-CA 3.28Å; I209-S247 WeakPolarHBondContact O-CA 3.45Å; I209-S247 WeakPolarHBondContact O-CB 3.33Å
210	L	95.9	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.2	174.9	-57.5	178.3	0	0	0	108.8	D194 S195 I197 L208 P212 I219 W241	D194-L210 WeakPolarHBondContact CA-O 3.34Å; S195-L210 PolarHBondContact N-O 2.64Å; S195-L210 PolarHBondContact O-N 3.01Å; I197-L210 HydrophobicContact CD1-CD1 4.44Å; I197-L210 HydrophobicContact CD1-CD2 4.27Å; I197-L210 HydrophobicContact CG1-CD1 4.21Å; I197-L210 HydrophobicContact CG1-CG 4.36Å; L208-L210 HydrophobicContact CD2-CD2 3.88Å; L208-L210 HydrophobicContact CG-CD2 4.24Å; L210-P212 WeakPolarHBondContact O-CD 3.47Å; L210-I219 HydrophobicContact CD1-CD1 3.37Å; L210-W241 HydrophobicContact CD2-CB 4.42Å; L210-W241 HydrophobicContact CD2-CD2 4.46Å; L210-W241 HydrophobicContact CD2-CG 3.97Å
211	K	94.8	Very high	93.9	Very high	97 Å²	97	50.2 Å²	50.2	42%	0.422	26%	0.258	S	S	.	.			trans	-112.9	82.8	-177.1	-62.2	-165.7	172	-171.7	0	110.8	I209 S247 L248 P249	I209-K211 HydrophobicContact CG2-CG 4.21Å; K211-S247 PolarHBondContact N-O 3.17Å; K211-L248 HydrophobicContact CB-CD2 4.24Å; K211-P249 WeakPolarHBondContact O-CD 3.31Å
212	P	93.9	Very high	94	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.071	23%	0.23	C	C	.	.			trans	-74.4	162.8	176.8	35.4	-39.8	0	0	0	111.6	N193 L210 S214 L216 W241	N193-P212 HydrophobicContact CB-CG 4.14Å; N193-P212 VanDerWaalsContact O-CD 3.26Å; N193-P212 WeakPolarHBondContact O-CD 3.19Å; N193-P212 WeakPolarHBondContact O-CG 3.49Å; L210-P212 WeakPolarHBondContact O-CD 3.47Å; P212-S214 VanDerWaalsContact C-N 3.26Å; P212-S214 WeakPolarHBondContact CB-O 3.28Å; P212-S214 WeakPolarHBondContact CG-O 3.43Å; P212-S214 PolarHBondContact O-N 3.03Å; P212-L216 HydrophobicContact CB-CD2 4.48Å; P212-L216 HydrophobicContact CB-CG 4.1Å; P212-L216 HydrophobicContact CG-CG 4.02Å; P212-W241 HydrophobicContact CB-CH2 3.96Å; P212-W241 HydrophobicContact CB-CZ2 3.78Å
213	A	91.6	Very high	94	Very high	61 Å²	61	43.6 Å²	43.6	50%	0.504	23%	0.227	S	C	.	.	S	Bend	trans	-67.1	-27.8	174.5	0	0	0	0	0	112.8	N193 L252	N193-A213 PolarHBondContact ND2-O 2.94Å; A213-L252 HydrophobicContact CB-CD2 4.16Å
214	S	93.5	Very high	94.1	Very high	14 Å²	14	47.1 Å²	47.1	10%	0.098	24%	0.239	C	C	.	.	S	Bend	trans	-141.5	156.3	-179.9	168.7	0	0	0	0	108.6	P212 L216 N235	P212-S214 VanDerWaalsContact C-N 3.26Å; P212-S214 WeakPolarHBondContact CB-O 3.28Å; P212-S214 WeakPolarHBondContact CG-O 3.43Å; P212-S214 PolarHBondContact O-N 3.03Å; S214-L216 PolarHBondContact O-N 2.83Å; S214-N235 PolarHBondContact OG-N 2.96Å
215	P	94.2	Very high	94.2	Very high	22 Å²	22	42.8 Å²	42.8	14%	0.143	22%	0.216	C	C	.	.			trans	-52.2	138	179.9	-26.9	34.5	0	0	0	112.6	C182 N193 C233 Y234	C182-P215 HydrophobicContact CB-CB 3.95Å; N193-P215 HydrophobicContact CB-CG 4.34Å; N193-P215 WeakPolarHBondContact OD1-CD 3.4Å; N193-P215 VanDerWaalsContact OD1-CG 3.29Å; N193-P215 WeakPolarHBondContact OD1-CG 3.36Å; P215-C233 WeakPolarHBondContact O-CA 3.43Å; P215-Y234 PolarHBondContact O-N 2.97Å
216	L	95.6	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.4	177.4	-82.3	178.6	0	0	0	110.6	T165 A180 C182 P212 S214 I219 G232 W241	T165-L216 PolarHBondContact OG1-O 3.14Å; A180-L216 HydrophobicContact CB-CB 4.06Å; C182-L216 WeakPolarHBondContact CB-O 3.5Å; P212-L216 HydrophobicContact CB-CD2 4.48Å; P212-L216 HydrophobicContact CB-CG 4.1Å; P212-L216 HydrophobicContact CG-CG 4.02Å; S214-L216 PolarHBondContact O-N 2.83Å; L216-I219 HydrophobicContact CD1-CD1 4.13Å; L216-G232 WeakPolarHBondContact CD2-O 3.43Å; L216-W241 HydrophobicContact CD1-CH2 3.65Å; L216-W241 HydrophobicContact CD1-CZ2 4.32Å; L216-W241 HydrophobicContact CD1-CZ3 4.02Å; L216-W241 HydrophobicContact CD2-CH2 3.67Å; L216-W241 HydrophobicContact CD2-CZ3 4.04Å; L216-W241 HydrophobicContact CG-CH2 3.99Å
217	V	95.5	Very high	94.2	Very high	3 Å²	3	36 Å²	36	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-41.8	174.7	177.5	0	0	0	0	110.1	T165 H166 G232 Y234 P262 V263 W264	T165-V217 VanDerWaalsContact CB-O 3.29Å; T165-V217 WeakPolarHBondContact CB-O 3.39Å; T165-V217 PolarHBondContact OG1-O 2.97Å; H166-V217 WeakPolarHBondContact CB-O 3.05Å; V217-G232 PolarHBondContact N-O 2.78Å; V217-Y234 HydrophobicContact CG2-CD2 3.91Å; V217-Y234 HydrophobicContact CG2-CG 4.45Å; V217-P262 HydrophobicContact CG2-CB 4.37Å; V217-V263 WeakPolarHBondContact CB-O 3.32Å; V217-W264 HydrophobicContact CG1-CD2 4.15Å; V217-W264 HydrophobicContact CG1-CE3 3.34Å; V217-W264 HydrophobicContact CG1-CZ3 3.67Å
218	C	96.6	Very high	94.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.7	176.8	59.9	0	0	0	0	112.1	H166 G231 G232 V263 W264	H166-C218 HydrophobicContact CB-CB 4.26Å; C218-G231 CarbonylContact O-C 3.53Å; C218-G231 WeakPolarHBondContact O-CA 3.12Å; C218-G232 PolarHBondContact N-O 3.22Å; C218-G232 PolarHBondContact O-N 2.89Å; C218-V263 PolarHBondContact SG-O 3.28Å; C218-W264 WeakPolarHBondContact CB-O 3.29Å
219	I	97.2	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.8	176.6	-171.5	162.1	0	0	0	109.8	H166 S168 A178 A180 L210 L216 L229 I230	H166-I219 PolarHBondContact CE1-O 3.14Å; H166-I219 PolarHBondContact ND1-N 3.11Å; H166-I219 PolarHBondContact ND1-O 3.1Å; S168-I219 VanDerWaalsContact CB-O 3.25Å; S168-I219 WeakPolarHBondContact CB-O 3.27Å; A178-I219 HydrophobicContact CB-CD1 3.99Å; A178-I219 HydrophobicContact CB-CG1 4.32Å; A178-I219 HydrophobicContact CB-CG2 4.26Å; A180-I219 HydrophobicContact CB-CB 4.28Å; A180-I219 HydrophobicContact CB-CG2 3.8Å; L210-I219 HydrophobicContact CD1-CD1 3.37Å; L216-I219 HydrophobicContact CD1-CD1 4.13Å; I219-L229 HydrophobicContact CD1-CD2 4.16Å; I219-L229 HydrophobicContact CG1-CD2 3.95Å; I219-I230 CarbonylContact C-O 3.55Å; I219-I230 WeakPolarHBondContact CA-O 3.45Å
220	E	96.5	Very high	94.4	Very high	18 Å²	18	27.3 Å²	27.3	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.1	177.2	-73.6	-69.6	-174.5	0	0	111.9	H166 S168 I230 T266 L267 W268 K456	H166-E220 VanDerWaalsContact CE1-CD 3.42Å; H166-E220 IonicContact CE1-OE1 3.42Å; H166-E220 PolarHBondContact CE1-OE1 2.73Å; H166-E220 IonicContact NE2-OE1 3.84Å; H166-E220 PolarHBondContact NE2-OE1 2.7Å; S168-E220 WeakPolarHBondContact CB-OE2 3.44Å; S168-E220 WeakPolarHBondContact OG-CA 3.41Å; S168-E220 PolarHBondContact OG-OE2 2.86Å; E220-I230 HydrophobicContact CB-CG2 4.35Å; E220-I230 PolarHBondContact N-O 3.13Å; E220-I230 PolarHBondContact O-N 2.86Å; E220-T266 VanDerWaalsContact CG-O 3.29Å; E220-T266 WeakPolarHBondContact CG-O 3.44Å; E220-L267 HydrophobicContact CG-CD2 4.32Å; E220-W268 PolarHBondContact O-NE1 3.43Å; E220-K456 IonicContact OE1-NZ 3.45Å; E220-K456 PolarHBondContact OE1-NZ 3.29Å; E220-K456 IonicContact OE2-NZ 2.93Å
221	Y	95.9	Very high	94.5	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	145	168.7	-86.2	-77.5	0	0	0	111.2	S168 W169 F170 A178 I197 P223 S226 L229 W268	S168-Y221 PolarHBondContact OG-N 3.02Å; W169-Y221 WeakPolarHBondContact O-CD2 3Å; F170-Y221 HydrophobicContact CB-CE2 4.37Å; F170-Y221 HydrophobicContact CD2-CD1 4.26Å; F170-Y221 AromaticContact CD2-CE1 3.76Å; F170-Y221 HydrophobicContact CD2-CE1 3.76Å; F170-Y221 AromaticContact CD2-CZ 3.95Å; F170-Y221 HydrophobicContact CE2-CE1 4.41Å; A178-Y221 HydrophobicContact CB-CD2 4.1Å; A178-Y221 HydrophobicContact CB-CE2 3.42Å; A178-Y221 VanDerWaalsContact CB-CE2 3.42Å; I197-Y221 WeakPolarHBondContact CG2-OH 3.4Å; Y221-P223 WeakPolarHBondContact O-CD 3.44Å; Y221-S226 WeakPolarHBondContact CE1-O 3.49Å; Y221-L229 HydrophobicContact CD1-CD1 4.24Å; Y221-L229 HydrophobicContact CD1-CD2 3.47Å; Y221-L229 VanDerWaalsContact CD1-CD2 3.47Å; Y221-L229 HydrophobicContact CD1-CG 3.62Å; Y221-L229 HydrophobicContact CD2-CD2 3.67Å; Y221-L229 HydrophobicContact CE1-CD1 3.65Å; Y221-L229 HydrophobicContact CE1-CD2 3.58Å; Y221-L229 HydrophobicContact CE1-CG 3.57Å; Y221-L229 HydrophobicContact CE2-CD2 3.79Å; Y221-L229 HydrophobicContact CG-CD2 3.51Å; Y221-L229 HydrophobicContact CG-CG 4.19Å; Y221-W268 VanDerWaalsContact C-NE1 3.33Å; Y221-W268 PolarHBondContact O-NE1 3.45Å
222	N	94.4	Very high	94.6	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.032	13%	0.131	C	C	.	.			trans	-73.1	122.1	172.2	-174.6	-22.2	0	0	0	109.7	T171 K224 D225 A228 W268 G274	T171-N222 WeakPolarHBondContact CG2-O 3.44Å; N222-K224 PolarHBondContact O-N 3.3Å; N222-K224 VanDerWaalsContact O-N 3.07Å; N222-K224 PolarHBondContact OD1-N 3.38Å; N222-D225 WeakPolarHBondContact CB-O 3.17Å; N222-D225 CarbonylContact O-C 3.5Å; N222-D225 PolarHBondContact O-N 2.97Å; N222-A228 HydrophobicContact CB-CB 3.76Å; N222-A228 WeakPolarHBondContact CB-O 3.5Å; N222-A228 PolarHBondContact N-O 2.9Å; N222-W268 HydrophobicContact CB-CD2 3.93Å; N222-W268 HydrophobicContact CB-CE3 4.35Å; N222-W268 HydrophobicContact CB-CG 4.39Å; N222-W268 HydrophobicContact CB-CH2 4.22Å; N222-W268 HydrophobicContact CB-CZ2 3.79Å; N222-W268 HydrophobicContact CB-CZ3 4.48Å; N222-G274 PolarHBondContact ND2-O 2.96Å
223	P	90.6	Very high	94.6	Very high	75 Å²	75	22.2 Å²	22.2	49%	0.487	13%	0.127	S	C	.	.	S	Bend	trans	-61.6	-18.5	-180	25.2	-34.8	0	0	0	113.8	Y221 W268	Y221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-W268 HydrophobicContact CG-CB 4.25Å
224	K	90.5	Very high	94.8	Very high	108 Å²	108	23 Å²	23	47%	0.47	12%	0.118	S	C	.	.	S	Bend	trans	-100.2	-28.3	179.7	-69	-172.3	169.3	-167.8	0	114.7	N222 S271 K272	N222-K224 PolarHBondContact O-N 3.3Å; N222-K224 VanDerWaalsContact O-N 3.07Å; N222-K224 PolarHBondContact OD1-N 3.38Å; K224-S271 WeakPolarHBondContact CE-O 3.24Å; K224-S271 PolarHBondContact NZ-O 2.93Å; K224-K272 PolarHBondContact NZ-O 2.83Å; K224-K272 VanDerWaalsContact NZ-O 3.13Å
225	D	92.2	Very high	94.7	Very high	59 Å²	59	24.9 Å²	24.9	32%	0.316	13%	0.127	S	C	.	.			trans	-130.2	109.6	-178.5	-178.8	2.5	0	0	0	109.6	N222 H227 A228	N222-D225 WeakPolarHBondContact CB-O 3.17Å; N222-D225 CarbonylContact O-C 3.5Å; N222-D225 PolarHBondContact O-N 2.97Å; D225-H227 PolarHBondContact O-N 3.45Å; D225-H227 VanDerWaalsContact O-N 3.14Å; D225-H227 IonicContact OD1-CD2 3.68Å; D225-H227 IonicContact OD1-CG 2.97Å; D225-H227 PolarHBondContact OD1-N 2.87Å; D225-A228 HydrophobicContact CB-CB 4.08Å; D225-A228 PolarHBondContact O-N 3.36Å; D225-A228 VanDerWaalsContact O-N 3.14Å
226	S	92.5	Very high	94.8	Very high	21 Å²	21	23.8 Å²	23.8	15%	0.147	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.2	-176.2	70.3	0	0	0	0	113.4	F170 T171 Y221	F170-S226 VanDerWaalsContact CE2-CB 3.42Å; F170-S226 VanDerWaalsContact CE2-O 3.26Å; F170-S226 WeakPolarHBondContact CE2-O 3.11Å; T171-S226 WeakPolarHBondContact OG1-CA 3.28Å; T171-S226 VanDerWaalsContact OG1-CB 3.32Å; T171-S226 WeakPolarHBondContact OG1-CB 3.36Å; Y221-S226 WeakPolarHBondContact CE1-O 3.49Å
227	H	93.2	Very high	94.8	Very high	68 Å²	68	24.9 Å²	24.9	32%	0.315	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.6	176.4	-61.3	-60.9	0	0	0	114.1	D225 D242 R243 R244	D225-H227 PolarHBondContact O-N 3.45Å; D225-H227 VanDerWaalsContact O-N 3.14Å; D225-H227 IonicContact OD1-CD2 3.68Å; D225-H227 IonicContact OD1-CG 2.97Å; D225-H227 PolarHBondContact OD1-N 2.87Å; H227-D242 WeakPolarHBondContact O-CA 3.23Å; H227-R243 WeakPolarHBondContact O-CG 3.28Å; H227-R243 PolarHBondContact O-N 2.99Å; H227-R244 HydrophobicContact CB-CG 4.33Å
228	A	94.9	Very high	94.8	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.033	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.6	-174.3	0	0	0	0	0	111.8	N222 D225 F240	N222-A228 HydrophobicContact CB-CB 3.76Å; N222-A228 WeakPolarHBondContact CB-O 3.5Å; N222-A228 PolarHBondContact N-O 2.9Å; D225-A228 HydrophobicContact CB-CB 4.08Å; D225-A228 PolarHBondContact O-N 3.36Å; D225-A228 VanDerWaalsContact O-N 3.14Å; A228-F240 HydrophobicContact CB-CE2 3.84Å; A228-F240 HydrophobicContact CB-CZ 4.14Å
229	L	96.1	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.1	-178.9	-80.6	153.5	0	0	0	109.6	A178 I197 I219 Y221 F240 W241 R243	A178-L229 HydrophobicContact CB-CD2 4.16Å; I197-L229 HydrophobicContact CD1-CD1 3.57Å; I219-L229 HydrophobicContact CD1-CD2 4.16Å; I219-L229 HydrophobicContact CG1-CD2 3.95Å; Y221-L229 HydrophobicContact CD1-CD1 4.24Å; Y221-L229 HydrophobicContact CD1-CD2 3.47Å; Y221-L229 VanDerWaalsContact CD1-CD2 3.47Å; Y221-L229 HydrophobicContact CD1-CG 3.62Å; Y221-L229 HydrophobicContact CD2-CD2 3.67Å; Y221-L229 HydrophobicContact CE1-CD1 3.65Å; Y221-L229 HydrophobicContact CE1-CD2 3.58Å; Y221-L229 HydrophobicContact CE1-CG 3.57Å; Y221-L229 HydrophobicContact CE2-CD2 3.79Å; Y221-L229 HydrophobicContact CG-CD2 3.51Å; Y221-L229 HydrophobicContact CG-CG 4.19Å; L229-F240 WeakPolarHBondContact O-CA 3.28Å; L229-F240 WeakPolarHBondContact O-CD2 3.5Å; L229-W241 HydrophobicContact CB-CB 4.11Å; L229-W241 PolarHBondContact N-O 3.17Å; L229-W241 PolarHBondContact O-N 3.03Å; L229-R243 HydrophobicContact CD1-CG 3.82Å
230	I	97	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.2	169.8	-167.6	75.4	0	0	0	108.3	I219 E220 L238 A239 F240 T266 W268 V291 M294	I219-I230 CarbonylContact C-O 3.55Å; I219-I230 WeakPolarHBondContact CA-O 3.45Å; E220-I230 HydrophobicContact CB-CG2 4.35Å; E220-I230 PolarHBondContact N-O 3.13Å; E220-I230 PolarHBondContact O-N 2.86Å; I230-L238 HydrophobicContact CD1-CB 4.46Å; I230-L238 HydrophobicContact CD1-CD2 4.39Å; I230-L238 HydrophobicContact CG1-CD2 4.29Å; I230-A239 WeakPolarHBondContact CD1-O 3.24Å; I230-F240 HydrophobicContact CD1-CB 4.05Å; I230-T266 HydrophobicContact CG2-CG2 3.77Å; I230-W268 HydrophobicContact CB-CH2 4.36Å; I230-W268 HydrophobicContact CB-CZ2 3.64Å; I230-W268 HydrophobicContact CG2-CD2 4.35Å; I230-W268 HydrophobicContact CG2-CZ2 3.81Å; I230-W268 VanDerWaalsContact CG2-NE1 3.33Å; I230-V291 HydrophobicContact CD1-CG2 4.44Å; I230-M294 HydrophobicContact CD1-CE 4.28Å
231	G	97	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.6	173.7	0	0	0	0	0	111.9	C218 L238 A239	C218-G231 CarbonylContact O-C 3.53Å; C218-G231 WeakPolarHBondContact O-CA 3.12Å; G231-L238 WeakPolarHBondContact O-CA 3.49Å; G231-A239 PolarHBondContact N-O 2.87Å; G231-A239 PolarHBondContact O-N 2.65Å
232	G	96.7	Very high	94.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.4	175.5	0	0	0	0	0	110.4	L216 V217 C218	L216-G232 WeakPolarHBondContact CD2-O 3.43Å; V217-G232 PolarHBondContact N-O 2.78Å; C218-G232 PolarHBondContact N-O 3.22Å; C218-G232 PolarHBondContact O-N 2.89Å
233	C	95.6	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.6	-179.7	-59.3	0	0	0	0	111.7	P215 N235 G236 Q237 V263	P215-C233 WeakPolarHBondContact O-CA 3.43Å; C233-N235 VanDerWaalsContact C-N 3.25Å; C233-N235 WeakPolarHBondContact CB-OD1 3.33Å; C233-N235 PolarHBondContact O-N 3.31Å; C233-G236 PolarHBondContact O-N 3.05Å; C233-G236 VanDerWaalsContact O-N 3.13Å; C233-Q237 VanDerWaalsContact CB-O 3.27Å; C233-Q237 WeakPolarHBondContact CB-O 3.39Å; C233-Q237 PolarHBondContact N-O 3.14Å; C233-V263 PolarHBondContact O-N 2.83Å
234	Y	94.2	Very high	94.8	Very high	79 Å²	79	30.9 Å²	30.9	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.2	176.3	-167.7	-92.6	0	0	0	113.6	P215 V217 G236 P262	P215-Y234 PolarHBondContact O-N 2.97Å; V217-Y234 HydrophobicContact CG2-CD2 3.91Å; V217-Y234 HydrophobicContact CG2-CG 4.45Å; Y234-G236 PolarHBondContact O-N 2.98Å; Y234-P262 HydrophobicContact CD1-CG 4.21Å; Y234-P262 HydrophobicContact CD2-CB 3.9Å; Y234-P262 HydrophobicContact CD2-CG 3.66Å; Y234-P262 HydrophobicContact CE1-CG 4.12Å; Y234-P262 HydrophobicContact CE2-CB 4.18Å; Y234-P262 HydrophobicContact CE2-CG 3.55Å; Y234-P262 HydrophobicContact CG-CB 4.35Å; Y234-P262 HydrophobicContact CG-CG 4Å; Y234-P262 VanDerWaalsContact O-CA 3.27Å; Y234-P262 WeakPolarHBondContact O-CA 3.26Å; Y234-P262 WeakPolarHBondContact O-CG 3.49Å
235	N	93.3	Very high	94.9	Very high	52 Å²	52	34.6 Å²	34.6	28%	0.278	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	6.9	176.3	71.9	-13.7	0	0	0	114.4	S214 C233 Q237	S214-N235 PolarHBondContact OG-N 2.96Å; C233-N235 VanDerWaalsContact C-N 3.25Å; C233-N235 WeakPolarHBondContact CB-OD1 3.33Å; C233-N235 PolarHBondContact O-N 3.31Å; N235-Q237 PolarHBondContact ND2-OE1 3.21Å; N235-Q237 PolarHBondContact OD1-N 2.9Å
236	G	94.7	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	91.4	-11.8	178	0	0	0	0	0	116.1	C233 Y234 S258 H259 D261 V263	C233-G236 PolarHBondContact O-N 3.05Å; C233-G236 VanDerWaalsContact O-N 3.13Å; Y234-G236 PolarHBondContact O-N 2.98Å; G236-S258 WeakPolarHBondContact O-CB 3.4Å; G236-H259 WeakPolarHBondContact CA-O 3.41Å; G236-H259 PolarHBondContact O-N 2.81Å; G236-D261 WeakPolarHBondContact CA-O 3.35Å; G236-V263 VanDerWaalsContact O-CG2 3.24Å; G236-V263 WeakPolarHBondContact O-CG2 3.23Å
237	Q	95.8	Very high	95	Very high	23 Å²	23	34 Å²	34	11%	0.107	15%	0.154	C	C	.	.			trans	-75.4	148.2	177.7	-62.1	-178.2	-68.5	0	0	112.3	C233 N235 L252 S253 I255	C233-Q237 VanDerWaalsContact CB-O 3.27Å; C233-Q237 WeakPolarHBondContact CB-O 3.39Å; C233-Q237 PolarHBondContact N-O 3.14Å; N235-Q237 PolarHBondContact ND2-OE1 3.21Å; N235-Q237 PolarHBondContact OD1-N 2.9Å; Q237-L252 HydrophobicContact CB-CD1 4.14Å; Q237-S253 WeakPolarHBondContact CA-OG 3.44Å; Q237-S253 PolarHBondContact NE2-O 2.93Å; Q237-I255 HydrophobicContact CG-CB 4.34Å
238	L	96.8	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.3	167.8	-74.3	84	0	0	0	109.7	I230 G231 L252 S253 V263 W289 M294	I230-L238 HydrophobicContact CD1-CB 4.46Å; I230-L238 HydrophobicContact CD1-CD2 4.39Å; I230-L238 HydrophobicContact CG1-CD2 4.29Å; G231-L238 WeakPolarHBondContact O-CA 3.49Å; L238-L252 WeakPolarHBondContact O-CA 3.16Å; L238-S253 PolarHBondContact N-OG 2.84Å; L238-S253 PolarHBondContact O-N 3.36Å; L238-S253 PolarHBondContact O-OG 2.92Å; L238-V263 HydrophobicContact CD1-CG2 4.44Å; L238-W289 HydrophobicContact CD1-CZ2 4.02Å; L238-W289 HydrophobicContact CD2-CG 4.1Å; L238-M294 HydrophobicContact CB-CE 3.72Å; L238-M294 HydrophobicContact CD2-CE 4.43Å
239	A	96.5	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.9	178.1	0	0	0	0	0	109.7	I230 G231 W241 P249 L252	I230-A239 WeakPolarHBondContact CD1-O 3.24Å; G231-A239 PolarHBondContact N-O 2.87Å; G231-A239 PolarHBondContact O-N 2.65Å; A239-W241 HydrophobicContact CB-CE3 4.16Å; A239-W241 HydrophobicContact CB-CH2 3.1Å; A239-W241 HydrophobicContact CB-CZ2 3.72Å; A239-W241 HydrophobicContact CB-CZ3 3.36Å; A239-W241 VanDerWaalsContact O-CE3 3.31Å; A239-W241 WeakPolarHBondContact O-CZ3 3.44Å; A239-P249 HydrophobicContact CB-CB 4.14Å; A239-L252 HydrophobicContact CB-CD1 3.71Å
240	F	96.7	Very high	95	Very high	26 Å²	26	39.5 Å²	39.5	11%	0.114	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.3	178.1	171.9	-111.2	0	0	0	110.1	A228 L229 I230 P249 V250 E251 W268 V291	A228-F240 HydrophobicContact CB-CE2 3.84Å; A228-F240 HydrophobicContact CB-CZ 4.14Å; L229-F240 WeakPolarHBondContact O-CA 3.28Å; L229-F240 WeakPolarHBondContact O-CD2 3.5Å; I230-F240 HydrophobicContact CD1-CB 4.05Å; F240-P249 CarbonylContact O-C 3.59Å; F240-P249 WeakPolarHBondContact O-CA 3.17Å; F240-V250 HydrophobicContact CD1-CB 3.92Å; F240-V250 HydrophobicContact CD1-CG1 4.35Å; F240-V250 HydrophobicContact CE1-CB 4.25Å; F240-V250 HydrophobicContact CE1-CG1 4.41Å; F240-V250 PolarHBondContact O-N 3.46Å; F240-E251 HydrophobicContact CB-CB 4.31Å; F240-E251 PolarHBondContact N-O 3.2Å; F240-E251 PolarHBondContact O-N 3.5Å; F240-W268 HydrophobicContact CD2-CH2 4.16Å; F240-W268 AromaticContact CE2-CH2 3.96Å; F240-W268 HydrophobicContact CE2-CH2 3.96Å; F240-W268 HydrophobicContact CE2-CZ2 4.43Å; F240-V291 HydrophobicContact CB-CG1 4.09Å; F240-V291 HydrophobicContact CD1-CG1 3.47Å; F240-V291 VanDerWaalsContact CD1-CG1 3.47Å; F240-V291 HydrophobicContact CD2-CB 4.47Å; F240-V291 HydrophobicContact CD2-CG1 3.3Å; F240-V291 HydrophobicContact CD2-CG2 4.34Å; F240-V291 HydrophobicContact CE1-CG1 3.63Å; F240-V291 HydrophobicContact CE2-CG1 3.47Å; F240-V291 VanDerWaalsContact CE2-CG1 3.47Å; F240-V291 HydrophobicContact CG-CG1 3.31Å; F240-V291 HydrophobicContact CZ-CG1 3.63Å
241	W	96.4	Very high	94.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.4	176.7	-69.2	-91.6	0	0	0	111.2	L210 P212 L216 L229 A239 S247 P249	L210-W241 HydrophobicContact CD2-CB 4.42Å; L210-W241 HydrophobicContact CD2-CD2 4.46Å; L210-W241 HydrophobicContact CD2-CG 3.97Å; P212-W241 HydrophobicContact CB-CH2 3.96Å; P212-W241 HydrophobicContact CB-CZ2 3.78Å; L216-W241 HydrophobicContact CD1-CH2 3.65Å; L216-W241 HydrophobicContact CD1-CZ2 4.32Å; L216-W241 HydrophobicContact CD1-CZ3 4.02Å; L216-W241 HydrophobicContact CD2-CH2 3.67Å; L216-W241 HydrophobicContact CD2-CZ3 4.04Å; L216-W241 HydrophobicContact CG-CH2 3.99Å; L229-W241 HydrophobicContact CB-CB 4.11Å; L229-W241 PolarHBondContact N-O 3.17Å; L229-W241 PolarHBondContact O-N 3.03Å; A239-W241 HydrophobicContact CB-CE3 4.16Å; A239-W241 HydrophobicContact CB-CH2 3.1Å; A239-W241 HydrophobicContact CB-CZ2 3.72Å; A239-W241 HydrophobicContact CB-CZ3 3.36Å; A239-W241 VanDerWaalsContact O-CE3 3.31Å; A239-W241 WeakPolarHBondContact O-CZ3 3.44Å; W241-S247 PolarHBondContact NE1-O 3.38Å; W241-P249 HydrophobicContact CD2-CB 4.5Å; W241-P249 HydrophobicContact CZ2-CB 4.18Å
242	D	94.8	Very high	94.8	Very high	16 Å²	16	46.7 Å²	46.7	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.3	161.3	-177.3	-20.9	0	0	0	107.1	H227 R244 R245 V250	H227-D242 WeakPolarHBondContact O-CA 3.23Å; D242-R244 PolarHBondContact O-N 2.86Å; D242-R244 WeakPolarHBondContact OD1-CB 3.38Å; D242-R244 WeakPolarHBondContact OD1-CG 3.48Å; D242-R244 IonicContact OD1-CZ 3.69Å; D242-R244 PolarHBondContact OD1-N 3.39Å; D242-R244 IonicContact OD1-NE 3.92Å; D242-R244 PolarHBondContact OD1-NE 2.68Å; D242-R244 IonicContact OD1-NH2 3.94Å; D242-R244 IonicContact OD2-CZ 3.72Å; D242-R244 IonicContact OD2-NE 2.93Å; D242-R244 PolarHBondContact OD2-NE 2.72Å; D242-R244 IonicContact OD2-NH2 3.65Å; D242-R244 PolarHBondContact OD2-NH2 3.38Å; D242-R245 HydrophobicContact CB-CB 4.45Å; D242-R245 HydrophobicContact CB-CG 4.13Å; D242-R245 PolarHBondContact O-N 3.19Å; D242-V250 HydrophobicContact CB-CG2 3.82Å
243	R	93	Very high	94.8	Very high	30 Å²	30	46.7 Å²	46.7	11%	0.113	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.7	-177.2	-70.4	-178.6	56.4	-171.9	2.3	113.7	F170 I197 E207 L208 H227 L229 R245	F170-R243 VanDerWaalsContact CD2-NH1 3.31Å; I197-R243 HydrophobicContact CD1-CG 3.95Å; E207-R243 IonicContact OE1-NH2 2.74Å; E207-R243 PolarHBondContact OE1-NH2 3.1Å; E207-R243 IonicContact OE2-CZ 2.92Å; E207-R243 IonicContact OE2-NH2 2.79Å; E207-R243 PolarHBondContact OE2-NH2 2.86Å; L208-R243 HydrophobicContact CD2-CB 4.41Å; L208-R243 HydrophobicContact CD2-CG 4.29Å; H227-R243 WeakPolarHBondContact O-CG 3.28Å; H227-R243 PolarHBondContact O-N 2.99Å; L229-R243 HydrophobicContact CD1-CG 3.82Å; R243-R245 VanDerWaalsContact C-N 3.33Å
244	R	93.6	Very high	94.7	Very high	161 Å²	161	48.8 Å²	48.8	61%	0.608	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-20.6	-179.1	-57	170	-64.8	-175.1	-1	112.6	H227 D242	H227-R244 HydrophobicContact CB-CG 4.33Å; D242-R244 PolarHBondContact O-N 2.86Å; D242-R244 WeakPolarHBondContact OD1-CB 3.38Å; D242-R244 WeakPolarHBondContact OD1-CG 3.48Å; D242-R244 IonicContact OD1-CZ 3.69Å; D242-R244 PolarHBondContact OD1-N 3.39Å; D242-R244 IonicContact OD1-NE 3.92Å; D242-R244 PolarHBondContact OD1-NE 2.68Å; D242-R244 IonicContact OD1-NH2 3.94Å; D242-R244 IonicContact OD2-CZ 3.72Å; D242-R244 IonicContact OD2-NE 2.93Å; D242-R244 PolarHBondContact OD2-NE 2.72Å; D242-R244 IonicContact OD2-NH2 3.65Å; D242-R244 PolarHBondContact OD2-NH2 3.38Å
245	R	92.8	Very high	94.7	Very high	186 Å²	186	50.1 Å²	50.1	70%	0.702	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.6	-177.3	-66.2	-169.5	179.6	-162.5	2.8	113.8	D242 R243 V250	D242-R245 HydrophobicContact CB-CB 4.45Å; D242-R245 HydrophobicContact CB-CG 4.13Å; D242-R245 PolarHBondContact O-N 3.19Å; R243-R245 VanDerWaalsContact C-N 3.33Å; R245-V250 HydrophobicContact CB-CG2 4.14Å; R245-V250 HydrophobicContact CG-CG2 4.39Å; R245-V250 VanDerWaalsContact NH1-CG1 3.34Å
246	G	91.7	Very high	94.7	Very high	26 Å²	26	55.6 Å²	55.6	27%	0.268	27%	0.272	S	S	.	.			trans	114.8	-153.5	176.1	0	0	0	0	0	113.6
247	S	94.2	Very high	94.7	Very high	43 Å²	43	59 Å²	59	30%	0.301	29%	0.288	S	S	.	.	S	Bend	trans	-86.6	-25.1	-168.9	48.7	0	0	0	0	115.3	I209 K211 W241	I209-S247 VanDerWaalsContact O-CA 3.28Å; I209-S247 WeakPolarHBondContact O-CA 3.45Å; I209-S247 WeakPolarHBondContact O-CB 3.33Å; K211-S247 PolarHBondContact N-O 3.17Å; W241-S247 PolarHBondContact NE1-O 3.38Å
248	L	95.4	Very high	94.6	Very high	116 Å²	116	58.3 Å²	58.3	61%	0.607	29%	0.285	S	S	*	.	S	Bend	trans	-80.7	147.6	-178.7	-64.2	173.7	0	0	0	110.6	K211 V250	K211-L248 HydrophobicContact CB-CD2 4.24Å; L248-V250 PolarHBondContact O-N 3.27Å
249	P	94.7	Very high	94.6	Very high	36 Å²	36	58.4 Å²	58.4	23%	0.234	29%	0.285	C	S	.	.			trans	-61	137.5	173.1	27.1	-34.3	0	0	0	109.9	K211 A239 F240 W241	K211-P249 WeakPolarHBondContact O-CD 3.31Å; A239-P249 HydrophobicContact CB-CB 4.14Å; F240-P249 CarbonylContact O-C 3.59Å; F240-P249 WeakPolarHBondContact O-CA 3.17Å; W241-P249 HydrophobicContact CD2-CB 4.5Å; W241-P249 HydrophobicContact CZ2-CB 4.18Å
250	V	94.7	Very high	94.4	Very high	35 Å²	35	67.9 Å²	67.9	21%	0.212	32%	0.321	C	S	.	.	S	Bend	trans	-74.1	-41.4	177.8	-179.6	0	0	0	0	110.3	F240 D242 R245 L248	F240-V250 HydrophobicContact CD1-CB 3.92Å; F240-V250 HydrophobicContact CD1-CG1 4.35Å; F240-V250 HydrophobicContact CE1-CB 4.25Å; F240-V250 HydrophobicContact CE1-CG1 4.41Å; F240-V250 PolarHBondContact O-N 3.46Å; D242-V250 HydrophobicContact CB-CG2 3.82Å; R245-V250 HydrophobicContact CB-CG2 4.14Å; R245-V250 HydrophobicContact CG-CG2 4.39Å; R245-V250 VanDerWaalsContact NH1-CG1 3.34Å; L248-V250 PolarHBondContact O-N 3.27Å
251	E	94.5	Very high	94.3	Very high	92 Å²	92	69.6 Å²	69.6	43%	0.43	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.3	175.7	-69.4	-66.7	163.1	0	0	108.6	F240 M294	F240-E251 HydrophobicContact CB-CB 4.31Å; F240-E251 PolarHBondContact N-O 3.2Å; F240-E251 PolarHBondContact O-N 3.5Å; E251-M294 HydrophobicContact CB-CB 4.26Å; E251-M294 HydrophobicContact CB-CG 4.08Å
252	L	94.9	Very high	94.2	Very high	59 Å²	59	70.3 Å²	70.3	31%	0.309	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.6	177.1	-175.4	74	0	0	0	107.9	A213 Q237 L238 A239	A213-L252 HydrophobicContact CB-CD2 4.16Å; Q237-L252 HydrophobicContact CB-CD1 4.14Å; L238-L252 WeakPolarHBondContact O-CA 3.16Å; A239-L252 HydrophobicContact CB-CD1 3.71Å
253	S	95.9	Very high	94.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.332	C	S	.	.			trans	-67.4	139.5	175.7	66.6	0	0	0	0	110.5	Q237 L238 S258	Q237-S253 WeakPolarHBondContact CA-OG 3.44Å; Q237-S253 PolarHBondContact NE2-O 2.93Å; L238-S253 PolarHBondContact N-OG 2.84Å; L238-S253 PolarHBondContact O-N 3.36Å; L238-S253 PolarHBondContact O-OG 2.92Å; S253-S258 WeakPolarHBondContact CB-OG 3.37Å; S253-S258 PolarHBondContact OG-OG 3.05Å
254	P	95.3	Very high	94.4	Very high	44 Å²	44	70.6 Å²	70.6	29%	0.286	34%	0.336	S	S	.	.			trans	-68.8	139.4	176.7	27.5	-31.5	0	0	0	110.2	E256 H257 S258 M294 S295	P254-E256 PolarHBondContact O-N 3.29Å; P254-E256 VanDerWaalsContact O-N 3.12Å; P254-H257 HydrophobicContact CG-CB 4.36Å; P254-H257 PolarHBondContact O-N 3.31Å; P254-H257 VanDerWaalsContact O-N 3.14Å; P254-S258 WeakPolarHBondContact O-CB 3.08Å; P254-S258 PolarHBondContact O-N 3.4Å; P254-S258 PolarHBondContact O-OG 2.8Å; P254-M294 WeakPolarHBondContact CD-O 3.31Å; P254-S295 WeakPolarHBondContact CD-O 3.38Å; P254-S295 WeakPolarHBondContact CG-O 3.37Å
255	I	94	Very high	94.5	Very high	107 Å²	107	64.4 Å²	64.4	55%	0.549	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-56.5	-31.7	-176.4	-165.8	167.6	0	0	0	112.9	Q237 H257 S258	Q237-I255 HydrophobicContact CG-CB 4.34Å; I255-H257 VanDerWaalsContact C-N 3.3Å; I255-H257 PolarHBondContact O-N 2.77Å; I255-S258 PolarHBondContact O-N 2.88Å
256	E	93.1	Very high	94.7	Very high	167 Å²	167	55.5 Å²	55.5	78%	0.78	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64	-31.2	-178.7	-60.2	175.3	-170.7	0	0	113.7	P254	P254-E256 PolarHBondContact O-N 3.29Å; P254-E256 VanDerWaalsContact O-N 3.12Å
257	H	93.7	Very high	94.9	Very high	72 Å²	72	55.3 Å²	55.3	33%	0.333	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-110.5	5.6	-177.8	-58.8	108.7	0	0	0	113	P254 I255 W289 S295	P254-H257 HydrophobicContact CG-CB 4.36Å; P254-H257 PolarHBondContact O-N 3.31Å; P254-H257 VanDerWaalsContact O-N 3.14Å; I255-H257 VanDerWaalsContact C-N 3.3Å; I255-H257 PolarHBondContact O-N 2.77Å; H257-W289 VanDerWaalsContact O-CH2 3.23Å; H257-W289 WeakPolarHBondContact O-CH2 3.19Å; H257-S295 PolarHBondContact ND1-O 3.05Å
258	S	94.3	Very high	94.9	Very high	7 Å²	7	54.2 Å²	54.2	5%	0.049	26%	0.262	C	S	.	.	S	Bend	trans	-92.9	-179.9	-178	-62.1	0	0	0	0	111.4	G236 S253 P254 I255	G236-S258 WeakPolarHBondContact O-CB 3.4Å; S253-S258 WeakPolarHBondContact CB-OG 3.37Å; S253-S258 PolarHBondContact OG-OG 3.05Å; P254-S258 WeakPolarHBondContact O-CB 3.08Å; P254-S258 PolarHBondContact O-N 3.4Å; P254-S258 PolarHBondContact O-OG 2.8Å; I255-S258 PolarHBondContact O-N 2.88Å
259	H	95.6	Very high	94.7	Very high	2 Å²	2	49 Å²	49	1%	0.009	24%	0.235	C	C	.	.			trans	-60.9	150.7	169.2	-70	-82	0	0	0	110.3	G236 D261 V263 S279 D283 Q285 F287	G236-H259 WeakPolarHBondContact CA-O 3.41Å; G236-H259 PolarHBondContact O-N 2.81Å; H259-D261 VanDerWaalsContact C-N 3.31Å; H259-D261 WeakPolarHBondContact CB-O 3.2Å; H259-V263 HydrophobicContact CB-CG2 4.14Å; H259-S279 PolarHBondContact CD2-OG 2.87Å; H259-S279 WeakPolarHBondContact NE2-CB 3.35Å; H259-S279 PolarHBondContact NE2-O 2.87Å; H259-S279 PolarHBondContact NE2-OG 2.86Å; H259-D283 VanDerWaalsContact CA-OD2 3.25Å; H259-D283 WeakPolarHBondContact CA-OD2 3.34Å; H259-D283 WeakPolarHBondContact CB-OD2 3.39Å; H259-D283 IonicContact CE1-OD1 3.71Å; H259-D283 IonicContact CG-OD2 2.98Å; H259-D283 IonicContact ND1-OD1 3.74Å; H259-D283 PolarHBondContact ND1-OD1 2.89Å; H259-D283 IonicContact ND1-OD2 3.58Å; H259-D283 PolarHBondContact ND1-OD2 3.09Å; H259-D283 VanDerWaalsContact ND1-OD2 3.09Å; H259-Q285 PolarHBondContact CE1-O 3.22Å; H259-Q285 VanDerWaalsContact CE1-O 3.28Å; H259-F287 AromaticContact CD2-CD2 3.7Å; H259-F287 AromaticContact CE1-CD2 3.32Å; H259-F287 WeakPolarHBondContact CE1-CD2 3.14Å; H259-F287 AromaticContact CE1-CE2 3.84Å; H259-F287 AromaticContact CG-CD2 3.78Å; H259-F287 AromaticContact CG-CE2 3.89Å; H259-F287 AromaticContact ND1-CD2 3.54Å; H259-F287 AromaticContact ND1-CE2 3.6Å; H259-F287 AromaticContact NE2-CD2 3.43Å; H259-F287 WeakPolarHBondContact NE2-CD2 3Å
260	R	93.5	Very high	94.3	Very high	199 Å²	199	51.9 Å²	51.9	75%	0.751	25%	0.245	S	C	*	.	S	Bend	trans	-84.3	-15.4	175.7	-64.7	-177.5	-179.1	179.8	0.5	113.1	D283	R260-D283 HydrophobicContact CB-CB 4.42Å; R260-D283 PolarHBondContact N-OD2 2.9Å; R260-D283 VanDerWaalsContact N-OD2 3.08Å
261	D	93.4	Very high	93.8	Very high	63 Å²	63	50.9 Å²	50.9	34%	0.337	24%	0.239	S	C	.	.	S	Bend	trans	-130.4	170.8	-172.3	-76.8	-36.2	0	0	0	110.6	G236 H259 V263 T282 D283	G236-D261 WeakPolarHBondContact CA-O 3.35Å; H259-D261 VanDerWaalsContact C-N 3.31Å; H259-D261 WeakPolarHBondContact CB-O 3.2Å; D261-V263 PolarHBondContact O-N 2.85Å; D261-T282 WeakPolarHBondContact CB-OG1 3.08Å; D261-T282 PolarHBondContact OD2-OG1 3.48Å; D261-D283 HydrophobicContact CB-CB 4.25Å; D261-D283 WeakPolarHBondContact OD2-CA 3.24Å; D261-D283 PolarHBondContact OD2-N 3.05Å
262	P	94.7	Very high	93.4	Very high	15 Å²	15	56.4 Å²	56.4	10%	0.097	26%	0.262	C	S	.	.			trans	-52.5	133.9	179.9	-27.5	34.6	0	0	0	113.7	V217 Y234 W264 G281	V217-P262 HydrophobicContact CG2-CB 4.37Å; Y234-P262 HydrophobicContact CD1-CG 4.21Å; Y234-P262 HydrophobicContact CD2-CB 3.9Å; Y234-P262 HydrophobicContact CD2-CG 3.66Å; Y234-P262 HydrophobicContact CE1-CG 4.12Å; Y234-P262 HydrophobicContact CE2-CB 4.18Å; Y234-P262 HydrophobicContact CE2-CG 3.55Å; Y234-P262 HydrophobicContact CG-CB 4.35Å; Y234-P262 HydrophobicContact CG-CG 4Å; Y234-P262 VanDerWaalsContact O-CA 3.27Å; Y234-P262 WeakPolarHBondContact O-CA 3.26Å; Y234-P262 WeakPolarHBondContact O-CG 3.49Å; P262-W264 HydrophobicContact CB-CZ2 4.31Å; P262-W264 PolarHBondContact O-N 3.45Å; P262-G281 VanDerWaalsContact O-CA 3.26Å; P262-G281 WeakPolarHBondContact O-CA 3.4Å
263	V	96.5	Very high	93	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	96.2	175.6	-174.1	0	0	0	0	109.6	V217 C218 C233 G236 L238 H259 D261 T280	V217-V263 WeakPolarHBondContact CB-O 3.32Å; C218-V263 PolarHBondContact SG-O 3.28Å; C233-V263 PolarHBondContact O-N 2.83Å; G236-V263 VanDerWaalsContact O-CG2 3.24Å; G236-V263 WeakPolarHBondContact O-CG2 3.23Å; L238-V263 HydrophobicContact CD1-CG2 4.44Å; H259-V263 HydrophobicContact CB-CG2 4.14Å; D261-V263 PolarHBondContact O-N 2.85Å; V263-T280 CarbonylContact C-O 3.51Å; V263-T280 WeakPolarHBondContact CA-O 2.94Å
264	W	95.6	Very high	92.6	Very high	52 Å²	52	57.2 Å²	57.2	20%	0.197	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-35.2	-176.5	-70.1	117.9	0	0	0	113.9	T184 V217 C218 P262 T280 Y318	T184-W264 HydrophobicContact CG2-CH2 4Å; T184-W264 HydrophobicContact CG2-CZ3 4.1Å; V217-W264 HydrophobicContact CG1-CD2 4.15Å; V217-W264 HydrophobicContact CG1-CE3 3.34Å; V217-W264 HydrophobicContact CG1-CZ3 3.67Å; C218-W264 WeakPolarHBondContact CB-O 3.29Å; P262-W264 HydrophobicContact CB-CZ2 4.31Å; P262-W264 PolarHBondContact O-N 3.45Å; W264-T280 PolarHBondContact N-O 3.06Å; W264-T280 VanDerWaalsContact N-O 3.13Å; W264-Y318 HydrophobicContact CB-CD1 4.18Å; W264-Y318 AromaticContact CD1-CD1 3.66Å; W264-Y318 AromaticContact CD1-CE1 3.8Å; W264-Y318 AromaticContact CD2-CD1 3.55Å; W264-Y318 HydrophobicContact CD2-CD1 3.55Å; W264-Y318 AromaticContact CD2-CE1 3.53Å; W264-Y318 HydrophobicContact CD2-CE1 3.53Å; W264-Y318 AromaticContact CE2-CD1 3.77Å; W264-Y318 AromaticContact CE2-CE1 3.25Å; W264-Y318 HydrophobicContact CE3-CD1 4.08Å; W264-Y318 HydrophobicContact CE3-CE1 4.06Å; W264-Y318 AromaticContact CG-CD1 3.55Å; W264-Y318 HydrophobicContact CG-CD1 3.55Å; W264-Y318 AromaticContact CG-CE1 3.92Å; W264-Y318 HydrophobicContact CG-CE1 3.92Å; W264-Y318 HydrophobicContact CG-CG 4.47Å; W264-Y318 HydrophobicContact CH2-CE1 4.15Å; W264-Y318 HydrophobicContact CZ2-CD1 4.49Å; W264-Y318 AromaticContact CZ2-CE1 3.61Å; W264-Y318 HydrophobicContact CZ2-CE1 3.61Å; W264-Y318 HydrophobicContact CZ3-CE1 4.34Å; W264-Y318 AromaticContact NE1-CD1 3.76Å; W264-Y318 AromaticContact NE1-CE1 3.37Å
265	K	96.5	Very high	92.4	Very high	31 Å²	31	57.5 Å²	57.5	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.8	178.8	-155.8	74.1	168.8	-160.5	0	111.2	H166 L267 S279 T280 L320	H166-K265 PolarHBondContact NE2-NZ 2.99Å; K265-L267 HydrophobicContact CG-CG 4.37Å; K265-S279 VanDerWaalsContact O-CA 3.29Å; K265-S279 WeakPolarHBondContact O-CA 3.22Å; K265-T280 HydrophobicContact CB-CG2 4.01Å; K265-T280 PolarHBondContact O-N 3.26Å; K265-L320 HydrophobicContact CB-CB 4.28Å; K265-L320 HydrophobicContact CB-CD1 4.25Å; K265-L320 HydrophobicContact CB-CG 4.26Å; K265-L320 HydrophobicContact CG-CB 4.11Å
266	T	96.6	Very high	92.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.6	167.4	-173.9	0	0	0	0	108.1	E220 I230 F278	E220-T266 VanDerWaalsContact CG-O 3.29Å; E220-T266 WeakPolarHBondContact CG-O 3.44Å; I230-T266 HydrophobicContact CG2-CG2 3.77Å; T266-F278 CarbonylContact C-O 3.56Å; T266-F278 WeakPolarHBondContact CA-O 3.38Å
267	L	95.6	Very high	92.5	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.9	178.6	-72	178.2	0	0	0	110.4	E220 K265 C277 F278 L320	E220-L267 HydrophobicContact CG-CD2 4.32Å; K265-L267 HydrophobicContact CG-CG 4.37Å; L267-C277 CarbonylContact O-C 3.51Å; L267-C277 WeakPolarHBondContact O-CA 3.29Å; L267-C277 VanDerWaalsContact O-CB 3.31Å; L267-C277 WeakPolarHBondContact O-CB 3.29Å; L267-F278 HydrophobicContact CB-CD1 4.17Å; L267-F278 HydrophobicContact CB-CE1 3.51Å; L267-F278 HydrophobicContact CB-CZ 3.82Å; L267-F278 HydrophobicContact CD1-CE1 4.38Å; L267-F278 HydrophobicContact CD1-CZ 3.89Å; L267-F278 HydrophobicContact CG-CZ 4.44Å; L267-F278 PolarHBondContact N-O 3.06Å; L267-F278 WeakPolarHBondContact O-CD1 3.43Å; L267-F278 PolarHBondContact O-N 2.91Å; L267-L320 HydrophobicContact CD1-CB 3.95Å; L267-L320 WeakPolarHBondContact CD1-O 3.45Å
268	W	94.6	Very high	92.5	Very high	20 Å²	20	43.3 Å²	43.3	8%	0.076	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.1	172.1	-67.5	95.1	0	0	0	110.8	E220 Y221 N222 P223 I230 F240 C277 V291	E220-W268 PolarHBondContact O-NE1 3.43Å; Y221-W268 VanDerWaalsContact C-NE1 3.33Å; Y221-W268 PolarHBondContact O-NE1 3.45Å; N222-W268 HydrophobicContact CB-CD2 3.93Å; N222-W268 HydrophobicContact CB-CE3 4.35Å; N222-W268 HydrophobicContact CB-CG 4.39Å; N222-W268 HydrophobicContact CB-CH2 4.22Å; N222-W268 HydrophobicContact CB-CZ2 3.79Å; N222-W268 HydrophobicContact CB-CZ3 4.48Å; P223-W268 HydrophobicContact CG-CB 4.25Å; I230-W268 HydrophobicContact CB-CH2 4.36Å; I230-W268 HydrophobicContact CB-CZ2 3.64Å; I230-W268 HydrophobicContact CG2-CD2 4.35Å; I230-W268 HydrophobicContact CG2-CZ2 3.81Å; I230-W268 VanDerWaalsContact CG2-NE1 3.33Å; F240-W268 HydrophobicContact CD2-CH2 4.16Å; F240-W268 AromaticContact CE2-CH2 3.96Å; F240-W268 HydrophobicContact CE2-CH2 3.96Å; F240-W268 HydrophobicContact CE2-CZ2 4.43Å; W268-C277 HydrophobicContact CD2-CB 4.36Å; W268-C277 HydrophobicContact CE3-CB 4.11Å; W268-V291 HydrophobicContact CH2-CG2 3.72Å; W268-V291 HydrophobicContact CZ3-CG2 3.68Å
269	I	92.1	Very high	92.7	Very high	5 Å²	5	43 Å²	43	3%	0.026	20%	0.198	C	C	.	.			trans	-88.9	135	171.3	-58.3	-178	0	0	0	107.6	S271 E276 F278 Y322	I269-S271 PolarHBondContact O-N 2.8Å; I269-E276 HydrophobicContact CB-CB 4.09Å; I269-E276 HydrophobicContact CD1-CB 4.4Å; I269-E276 PolarHBondContact N-O 3.07Å; I269-F278 HydrophobicContact CD1-CB 4.33Å; I269-F278 HydrophobicContact CD1-CD1 3.85Å; I269-F278 HydrophobicContact CD1-CG 4.39Å; I269-F278 HydrophobicContact CG1-CD1 3.47Å; I269-F278 VanDerWaalsContact CG1-CD1 3.47Å; I269-F278 HydrophobicContact CG1-CE1 4Å; I269-F278 HydrophobicContact CG1-CG 4.45Å; I269-Y322 HydrophobicContact CG2-CE2 4.03Å
270	Q	85.1	Confident	92.7	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	20%	0.198	S	C	.	.			trans	-76.1	53.3	176.1	-153.7	170.1	18.8	0	0	111.7	Y322 S324	Q270-Y322 HydrophobicContact CB-CE1 4.43Å; Q270-S324 PolarHBondContact OE1-O 2.97Å
271	S	85	Confident	92.7	Very high	13 Å²	13	33.4 Å²	33.4	9%	0.091	16%	0.162	C	C	.	.			trans	-69	158.1	173.6	73.9	0	0	0	0	109.8	K224 I269 T273 G274	K224-S271 WeakPolarHBondContact CE-O 3.24Å; K224-S271 PolarHBondContact NZ-O 2.93Å; I269-S271 PolarHBondContact O-N 2.8Å; S271-T273 PolarHBondContact O-N 3.17Å; S271-T273 PolarHBondContact OG-OG1 2.82Å; S271-G274 PolarHBondContact O-N 2.67Å; S271-G274 VanDerWaalsContact O-N 3.16Å; S271-G274 PolarHBondContact OG-N 3.03Å
272	K	84.8	Confident	92.8	Very high	208 Å²	208	32.1 Å²	32.1	90%	0.904	16%	0.157	S	C	*	.	S	Bend	trans	-56.6	-38.5	179.4	-69.9	-175.1	179.2	-178.2	0	112	K224	K224-K272 PolarHBondContact NZ-O 2.83Å; K224-K272 VanDerWaalsContact NZ-O 3.13Å
273	T	86.7	Confident	92.7	Very high	75 Å²	75	32.3 Å²	32.3	46%	0.46	16%	0.157	S	C	.	.	S	Bend	trans	-78.8	-27.6	179.6	50.9	0	0	0	0	113.6	S271 N275	S271-T273 PolarHBondContact O-N 3.17Å; S271-T273 PolarHBondContact OG-OG1 2.82Å; T273-N275 VanDerWaalsContact C-N 3.32Å
274	G	87.1	Confident	92.6	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	76.4	14.4	-179	0	0	0	0	0	114.9	N222 S271	N222-G274 PolarHBondContact ND2-O 2.96Å; S271-G274 PolarHBondContact O-N 2.67Å; S271-G274 VanDerWaalsContact O-N 3.16Å; S271-G274 PolarHBondContact OG-N 3.03Å
275	N	91.8	Very high	92.5	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.262	15%	0.151	S	C	.	.			trans	-107.9	5.2	-175	-60.9	-25.5	0	0	0	113.6	T273 V291 R292	T273-N275 VanDerWaalsContact C-N 3.32Å; N275-V291 WeakPolarHBondContact O-CB 3.36Å; N275-V291 WeakPolarHBondContact O-CG2 3.3Å; N275-V291 PolarHBondContact O-N 3.28Å; N275-R292 HydrophobicContact CB-CG 4.27Å; N275-R292 WeakPolarHBondContact ND2-CD 3.4Å
276	E	93.8	Very high	92.5	Very high	47 Å²	47	29 Å²	29	22%	0.22	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.6	-179.6	-68.4	-177.8	-159.3	0	0	109.8	I269 W289 R344	I269-E276 HydrophobicContact CB-CB 4.09Å; I269-E276 HydrophobicContact CD1-CB 4.4Å; I269-E276 PolarHBondContact N-O 3.07Å; E276-W289 WeakPolarHBondContact CA-O 3.38Å; E276-R344 IonicContact OE2-CZ 3.22Å; E276-R344 IonicContact OE2-NH1 2.82Å; E276-R344 PolarHBondContact OE2-NH1 2.61Å; E276-R344 IonicContact OE2-NH2 3.5Å
277	C	94.8	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	169.3	171.8	61.5	0	0	0	0	110	L267 W268 W289	L267-C277 CarbonylContact O-C 3.51Å; L267-C277 WeakPolarHBondContact O-CA 3.29Å; L267-C277 VanDerWaalsContact O-CB 3.31Å; L267-C277 WeakPolarHBondContact O-CB 3.29Å; W268-C277 HydrophobicContact CD2-CB 4.36Å; W268-C277 HydrophobicContact CE3-CB 4.11Å; C277-W289 PolarHBondContact N-O 3.15Å; C277-W289 PolarHBondContact O-N 3.01Å
278	F	95.2	Very high	92.4	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.9	175.6	70.7	-71.5	0	0	0	110.5	T266 L267 I269 V286 F287 W288 L320 Y322 F330	T266-F278 CarbonylContact C-O 3.56Å; T266-F278 WeakPolarHBondContact CA-O 3.38Å; L267-F278 HydrophobicContact CB-CD1 4.17Å; L267-F278 HydrophobicContact CB-CE1 3.51Å; L267-F278 HydrophobicContact CB-CZ 3.82Å; L267-F278 HydrophobicContact CD1-CE1 4.38Å; L267-F278 HydrophobicContact CD1-CZ 3.89Å; L267-F278 HydrophobicContact CG-CZ 4.44Å; L267-F278 PolarHBondContact N-O 3.06Å; L267-F278 WeakPolarHBondContact O-CD1 3.43Å; L267-F278 PolarHBondContact O-N 2.91Å; I269-F278 HydrophobicContact CD1-CB 4.33Å; I269-F278 HydrophobicContact CD1-CD1 3.85Å; I269-F278 HydrophobicContact CD1-CG 4.39Å; I269-F278 HydrophobicContact CG1-CD1 3.47Å; I269-F278 VanDerWaalsContact CG1-CD1 3.47Å; I269-F278 HydrophobicContact CG1-CE1 4Å; I269-F278 HydrophobicContact CG1-CG 4.45Å; F278-V286 HydrophobicContact CD2-CG1 4.04Å; F278-F287 CarbonylContact C-O 3.56Å; F278-F287 WeakPolarHBondContact CA-O 3.44Å; F278-F287 VanDerWaalsContact CB-O 3.29Å; F278-F287 WeakPolarHBondContact CB-O 3.18Å; F278-W288 HydrophobicContact CB-CG 4.21Å; F278-L320 HydrophobicContact CD2-CD1 3.82Å; F278-L320 HydrophobicContact CE2-CB 4.05Å; F278-L320 HydrophobicContact CE2-CD1 3.68Å; F278-L320 HydrophobicContact CE2-CD2 4.13Å; F278-L320 HydrophobicContact CE2-CG 4.18Å; F278-L320 HydrophobicContact CZ-CB 4.47Å; F278-Y322 HydrophobicContact CE1-CD2 4.16Å; F278-Y322 HydrophobicContact CE1-CG 4.27Å; F278-Y322 HydrophobicContact CZ-CD2 4.38Å; F278-Y322 HydrophobicContact CZ-CG 4.48Å; F278-F330 HydrophobicContact CE2-CB 4.37Å; F278-F330 HydrophobicContact CE2-CD2 4.3Å; F278-F330 HydrophobicContact CE2-CG 4.5Å; F278-F330 HydrophobicContact CZ-CB 4.49Å
279	S	96.8	Very high	92.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	158	-170.8	58.2	0	0	0	0	112.6	H259 K265 V286 F287 W289	H259-S279 PolarHBondContact CD2-OG 2.87Å; H259-S279 WeakPolarHBondContact NE2-CB 3.35Å; H259-S279 PolarHBondContact NE2-O 2.87Å; H259-S279 PolarHBondContact NE2-OG 2.86Å; K265-S279 VanDerWaalsContact O-CA 3.29Å; K265-S279 WeakPolarHBondContact O-CA 3.22Å; S279-V286 VanDerWaalsContact O-CA 3.27Å; S279-V286 WeakPolarHBondContact O-CA 3.18Å; S279-F287 PolarHBondContact N-O 3.12Å; S279-F287 PolarHBondContact O-N 3.09Å; S279-F287 VanDerWaalsContact O-N 3.08Å; S279-W289 PolarHBondContact OG-NE1 2.78Å
280	T	96.4	Very high	92.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.7	173.2	-166.6	0	0	0	0	110.8	V263 W264 K265 A317 L320	V263-T280 CarbonylContact C-O 3.51Å; V263-T280 WeakPolarHBondContact CA-O 2.94Å; W264-T280 PolarHBondContact N-O 3.06Å; W264-T280 VanDerWaalsContact N-O 3.13Å; K265-T280 HydrophobicContact CB-CG2 4.01Å; K265-T280 PolarHBondContact O-N 3.26Å; T280-A317 HydrophobicContact CG2-CB 4.34Å; T280-A317 VanDerWaalsContact CG2-O 3.3Å; T280-A317 WeakPolarHBondContact CG2-O 3.21Å; T280-A317 WeakPolarHBondContact OG1-CB 3.44Å; T280-A317 PolarHBondContact OG1-O 3.08Å; T280-L320 HydrophobicContact CG2-CD1 3.58Å; T280-L320 HydrophobicContact CG2-CD2 4.02Å; T280-L320 HydrophobicContact CG2-CG 3.44Å; T280-L320 VanDerWaalsContact CG2-CG 3.44Å
281	G	94.6	Very high	93	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	-172.3	170.6	0	0	0	0	0	112.4	P262 D283 A317	P262-G281 VanDerWaalsContact O-CA 3.26Å; P262-G281 WeakPolarHBondContact O-CA 3.4Å; G281-D283 PolarHBondContact O-N 2.93Å; G281-A317 PolarHBondContact O-N 3.48Å
282	T	93.8	Very high	93.4	Very high	37 Å²	37	31.5 Å²	31.5	23%	0.227	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.6	175.1	65.2	0	0	0	0	113.1	D261 G284 G316 E335	D261-T282 WeakPolarHBondContact CB-OG1 3.08Å; D261-T282 PolarHBondContact OD2-OG1 3.48Å; T282-G284 PolarHBondContact O-N 2.6Å; T282-G316 VanDerWaalsContact O-CA 3.29Å; T282-G316 WeakPolarHBondContact O-CA 3.46Å; T282-E335 WeakPolarHBondContact CB-OE1 3.35Å; T282-E335 WeakPolarHBondContact CG2-OE1 3.45Å
283	D	94	Very high	93.7	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	1.1	178	64.5	-4.2	0	0	0	114.2	H259 R260 D261 G281 Q285	H259-D283 VanDerWaalsContact CA-OD2 3.25Å; H259-D283 WeakPolarHBondContact CA-OD2 3.34Å; H259-D283 WeakPolarHBondContact CB-OD2 3.39Å; H259-D283 IonicContact CE1-OD1 3.71Å; H259-D283 IonicContact CG-OD2 2.98Å; H259-D283 IonicContact ND1-OD1 3.74Å; H259-D283 PolarHBondContact ND1-OD1 2.89Å; H259-D283 IonicContact ND1-OD2 3.58Å; H259-D283 PolarHBondContact ND1-OD2 3.09Å; H259-D283 VanDerWaalsContact ND1-OD2 3.09Å; R260-D283 HydrophobicContact CB-CB 4.42Å; R260-D283 PolarHBondContact N-OD2 2.9Å; R260-D283 VanDerWaalsContact N-OD2 3.08Å; D261-D283 HydrophobicContact CB-CB 4.25Å; D261-D283 WeakPolarHBondContact OD2-CA 3.24Å; D261-D283 PolarHBondContact OD2-N 3.05Å; G281-D283 PolarHBondContact O-N 2.93Å; D283-Q285 VanDerWaalsContact C-N 3.26Å; D283-Q285 PolarHBondContact O-N 3.32Å; D283-Q285 PolarHBondContact OD1-N 3.22Å
284	G	93.9	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	70.1	21.7	175.9	0	0	0	0	0	114.1	T282 L303 Q315	T282-G284 PolarHBondContact O-N 2.6Å; G284-L303 PolarHBondContact O-N 2.89Å; G284-Q315 VanDerWaalsContact CA-O 3.22Å; G284-Q315 WeakPolarHBondContact CA-O 3.36Å
285	Q	94.3	Very high	94.2	Very high	14 Å²	14	27 Å²	27	7%	0.065	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	150.3	-179.1	-70.8	166.4	50.9	0	0	111.2	H259 D283 F287 L301 Y302	H259-Q285 PolarHBondContact CE1-O 3.22Å; H259-Q285 VanDerWaalsContact CE1-O 3.28Å; D283-Q285 VanDerWaalsContact C-N 3.26Å; D283-Q285 PolarHBondContact O-N 3.32Å; D283-Q285 PolarHBondContact OD1-N 3.22Å; Q285-F287 HydrophobicContact CB-CE2 4.15Å; Q285-F287 HydrophobicContact CB-CZ 4.39Å; Q285-L301 WeakPolarHBondContact CA-O 3.45Å; Q285-Y302 VanDerWaalsContact CD-CE1 3.49Å; Q285-Y302 HydrophobicContact CG-CD1 3.44Å; Q285-Y302 VanDerWaalsContact CG-CD1 3.44Å; Q285-Y302 HydrophobicContact CG-CE1 3.5Å
286	V	95.6	Very high	94.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.8	165.5	174.9	0	0	0	0	108.3	F278 S279 W288 F300 L301 L303 L320 F330	F278-V286 HydrophobicContact CD2-CG1 4.04Å; S279-V286 VanDerWaalsContact O-CA 3.27Å; S279-V286 WeakPolarHBondContact O-CA 3.18Å; V286-W288 HydrophobicContact CG1-CH2 4.23Å; V286-W288 HydrophobicContact CG1-CZ2 4.11Å; V286-F300 CarbonylContact O-C 3.53Å; V286-F300 WeakPolarHBondContact O-CA 3.23Å; V286-L301 PolarHBondContact N-O 3.09Å; V286-L301 PolarHBondContact O-N 2.84Å; V286-L303 HydrophobicContact CG2-CD1 3.85Å; V286-L303 HydrophobicContact CG2-CD2 3.82Å; V286-L303 HydrophobicContact CG2-CG 3.89Å; V286-L320 HydrophobicContact CG2-CD2 4.29Å; V286-F330 HydrophobicContact CG1-CE2 4.17Å; V286-F330 HydrophobicContact CG1-CZ 4.37Å; V286-F330 HydrophobicContact CG2-CE2 4.23Å
287	F	95.8	Very high	94.3	Very high	11 Å²	11	28.5 Å²	28.5	5%	0.048	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.6	175.7	-71.7	-68.8	0	0	0	110.9	H259 F278 S279 Q285 W289 P297 F300	H259-F287 AromaticContact CD2-CD2 3.7Å; H259-F287 AromaticContact CE1-CD2 3.32Å; H259-F287 WeakPolarHBondContact CE1-CD2 3.14Å; H259-F287 AromaticContact CE1-CE2 3.84Å; H259-F287 AromaticContact CG-CD2 3.78Å; H259-F287 AromaticContact CG-CE2 3.89Å; H259-F287 AromaticContact ND1-CD2 3.54Å; H259-F287 AromaticContact ND1-CE2 3.6Å; H259-F287 AromaticContact NE2-CD2 3.43Å; H259-F287 WeakPolarHBondContact NE2-CD2 3Å; F278-F287 CarbonylContact C-O 3.56Å; F278-F287 WeakPolarHBondContact CA-O 3.44Å; F278-F287 VanDerWaalsContact CB-O 3.29Å; F278-F287 WeakPolarHBondContact CB-O 3.18Å; S279-F287 PolarHBondContact N-O 3.12Å; S279-F287 PolarHBondContact O-N 3.09Å; S279-F287 VanDerWaalsContact O-N 3.08Å; Q285-F287 HydrophobicContact CB-CE2 4.15Å; Q285-F287 HydrophobicContact CB-CZ 4.39Å; F287-W289 HydrophobicContact CB-CZ2 4.11Å; F287-W289 HydrophobicContact CG-CZ2 4.25Å; F287-P297 HydrophobicContact CB-CB 4.23Å; F287-P297 HydrophobicContact CD1-CB 3.73Å; F287-P297 HydrophobicContact CD1-CG 3.69Å; F287-P297 HydrophobicContact CE1-CG 4.06Å; F287-P297 HydrophobicContact CG-CB 4.33Å; F287-F300 HydrophobicContact CD1-CB 3.36Å; F287-F300 HydrophobicContact CD1-CG 4.39Å; F287-F300 HydrophobicContact CE1-CB 3.42Å; F287-F300 VanDerWaalsContact CE1-CB 3.42Å; F287-F300 HydrophobicContact CE1-CD1 4.46Å; F287-F300 HydrophobicContact CE1-CG 4.01Å; F287-F300 HydrophobicContact CG-CB 4.39Å; F287-F300 HydrophobicContact CZ-CB 4.48Å
288	W	95.3	Very high	94.3	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.4	170.2	-71.2	-84.2	0	0	0	110.5	F278 V286 P297 T298 E299 L301 F330 R344	F278-W288 HydrophobicContact CB-CG 4.21Å; V286-W288 HydrophobicContact CG1-CH2 4.23Å; V286-W288 HydrophobicContact CG1-CZ2 4.11Å; W288-P297 CarbonylContact O-C 3.51Å; W288-P297 WeakPolarHBondContact O-CA 3.43Å; W288-P297 WeakPolarHBondContact O-CB 3.45Å; W288-T298 WeakPolarHBondContact CB-OG1 3.05Å; W288-T298 PolarHBondContact O-N 3.13Å; W288-T298 PolarHBondContact O-OG1 2.92Å; W288-E299 HydrophobicContact CD2-CB 4.43Å; W288-E299 HydrophobicContact CE3-CB 3.72Å; W288-E299 HydrophobicContact CE3-CG 3.86Å; W288-E299 HydrophobicContact CZ3-CB 4.38Å; W288-E299 HydrophobicContact CZ3-CG 4Å; W288-E299 PolarHBondContact N-O 2.86Å; W288-L301 HydrophobicContact CH2-CB 3.64Å; W288-L301 HydrophobicContact CH2-CD2 4.21Å; W288-L301 HydrophobicContact CZ3-CB 3.64Å; W288-F330 HydrophobicContact CH2-CE1 4.02Å; W288-F330 AromaticContact CH2-CZ 3.85Å; W288-F330 HydrophobicContact CH2-CZ 3.85Å; W288-F330 HydrophobicContact CZ2-CD1 4.28Å; W288-F330 AromaticContact CZ2-CE1 3.44Å; W288-F330 HydrophobicContact CZ2-CE1 3.44Å; W288-F330 VanDerWaalsContact CZ2-CE1 3.44Å; W288-F330 AromaticContact CZ2-CZ 3.55Å; W288-F330 HydrophobicContact CZ2-CZ 3.55Å; W288-R344 HydrophobicContact CD2-CG 4.45Å; W288-R344 HydrophobicContact CZ2-CB 4.12Å; W288-R344 HydrophobicContact CZ2-CG 4.03Å
289	W	95.5	Very high	94.2	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.3	-175.1	-60.2	93.4	0	0	0	111.3	L238 H257 E276 C277 S279 F287 M294 P297	L238-W289 HydrophobicContact CD1-CZ2 4.02Å; L238-W289 HydrophobicContact CD2-CG 4.1Å; H257-W289 VanDerWaalsContact O-CH2 3.23Å; H257-W289 WeakPolarHBondContact O-CH2 3.19Å; E276-W289 WeakPolarHBondContact CA-O 3.38Å; C277-W289 PolarHBondContact N-O 3.15Å; C277-W289 PolarHBondContact O-N 3.01Å; S279-W289 PolarHBondContact OG-NE1 2.78Å; F287-W289 HydrophobicContact CB-CZ2 4.11Å; F287-W289 HydrophobicContact CG-CZ2 4.25Å; W289-M294 HydrophobicContact CB-CE 4.3Å; W289-M294 HydrophobicContact CB-SD 3.85Å; W289-M294 HydrophobicContact CD2-CE 4.23Å; W289-M294 HydrophobicContact CD2-SD 4.49Å; W289-M294 HydrophobicContact CE3-CE 4.09Å; W289-M294 HydrophobicContact CE3-SD 4.13Å; W289-M294 HydrophobicContact CG-CE 4.34Å; W289-M294 HydrophobicContact CG-SD 4.42Å; W289-P297 HydrophobicContact CD2-CB 4.13Å; W289-P297 HydrophobicContact CE3-CB 4.14Å; W289-P297 HydrophobicContact CH2-CB 4.03Å; W289-P297 HydrophobicContact CH2-CG 4.17Å; W289-P297 HydrophobicContact CZ2-CB 4Å; W289-P297 HydrophobicContact CZ2-CG 4.39Å; W289-P297 HydrophobicContact CZ3-CB 4.11Å; W289-P297 HydrophobicContact CZ3-CG 4.47Å
290	D	94.6	Very high	94	Very high	24 Å²	24	39.4 Å²	39.4	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.4	163.7	-174.9	-20	0	0	0	107.6	R292 K293 T298	D290-R292 PolarHBondContact O-N 2.85Å; D290-R292 VanDerWaalsContact O-N 3.08Å; D290-R292 WeakPolarHBondContact OD1-CB 3.09Å; D290-R292 IonicContact OD1-CZ 3.91Å; D290-R292 PolarHBondContact OD1-N 2.54Å; D290-R292 IonicContact OD1-NE 3.33Å; D290-R292 PolarHBondContact OD1-NE 2.79Å; D290-R292 VanDerWaalsContact OD1-NE 3.08Å; D290-R292 IonicContact OD1-NH2 3.32Å; D290-R292 IonicContact OD2-CZ 2.84Å; D290-R292 IonicContact OD2-NE 3.03Å; D290-R292 PolarHBondContact OD2-NE 2.95Å; D290-R292 IonicContact OD2-NH2 3.14Å; D290-R292 PolarHBondContact OD2-NH2 2.83Å; D290-K293 CarbonylContact O-C 3.54Å; D290-K293 PolarHBondContact O-N 3.24Å; D290-T298 HydrophobicContact CB-CG2 4.06Å
291	V	93.6	Very high	93.9	Very high	10 Å²	10	39.5 Å²	39.5	6%	0.061	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.7	-175.5	172.9	0	0	0	0	112.8	I230 F240 W268 N275 K293 M294	I230-V291 HydrophobicContact CD1-CG2 4.44Å; F240-V291 HydrophobicContact CB-CG1 4.09Å; F240-V291 HydrophobicContact CD1-CG1 3.47Å; F240-V291 VanDerWaalsContact CD1-CG1 3.47Å; F240-V291 HydrophobicContact CD2-CB 4.47Å; F240-V291 HydrophobicContact CD2-CG1 3.3Å; F240-V291 HydrophobicContact CD2-CG2 4.34Å; F240-V291 HydrophobicContact CE1-CG1 3.63Å; F240-V291 HydrophobicContact CE2-CG1 3.47Å; F240-V291 VanDerWaalsContact CE2-CG1 3.47Å; F240-V291 HydrophobicContact CG-CG1 3.31Å; F240-V291 HydrophobicContact CZ-CG1 3.63Å; W268-V291 HydrophobicContact CH2-CG2 3.72Å; W268-V291 HydrophobicContact CZ3-CG2 3.68Å; N275-V291 WeakPolarHBondContact O-CB 3.36Å; N275-V291 WeakPolarHBondContact O-CG2 3.3Å; N275-V291 PolarHBondContact O-N 3.28Å; V291-K293 VanDerWaalsContact C-N 3.28Å; V291-K293 PolarHBondContact O-N 3.39Å; V291-M294 HydrophobicContact CG2-SD 4.39Å
292	R	92.1	Very high	93.9	Very high	160 Å²	160	41.9 Å²	41.9	60%	0.604	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.5	175.1	-61.4	174.7	-69.1	170.2	8.2	113.2	N275 D290	N275-R292 HydrophobicContact CB-CG 4.27Å; N275-R292 WeakPolarHBondContact ND2-CD 3.4Å; D290-R292 PolarHBondContact O-N 2.85Å; D290-R292 VanDerWaalsContact O-N 3.08Å; D290-R292 WeakPolarHBondContact OD1-CB 3.09Å; D290-R292 IonicContact OD1-CZ 3.91Å; D290-R292 PolarHBondContact OD1-N 2.54Å; D290-R292 IonicContact OD1-NE 3.33Å; D290-R292 PolarHBondContact OD1-NE 2.79Å; D290-R292 VanDerWaalsContact OD1-NE 3.08Å; D290-R292 IonicContact OD1-NH2 3.32Å; D290-R292 IonicContact OD2-CZ 2.84Å; D290-R292 IonicContact OD2-NE 3.03Å; D290-R292 PolarHBondContact OD2-NE 2.95Å; D290-R292 IonicContact OD2-NH2 3.14Å; D290-R292 PolarHBondContact OD2-NH2 2.83Å
293	K	92	Very high	93.9	Very high	132 Å²	132	40.1 Å²	40.1	57%	0.574	19%	0.191	S	C	*	.			trans	-145.5	80.2	-179.9	-170	-166.8	176.5	-160.4	0	109.3	D290 V291 S295	D290-K293 CarbonylContact O-C 3.54Å; D290-K293 PolarHBondContact O-N 3.24Å; V291-K293 VanDerWaalsContact C-N 3.28Å; V291-K293 PolarHBondContact O-N 3.39Å; K293-S295 WeakPolarHBondContact CE-OG 3.45Å; K293-S295 PolarHBondContact O-N 3.39Å
294	M	91.9	Very high	93.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	9.7	-178.7	-69.4	-67.2	-72.8	0	0	114.4	I230 L238 E251 P254 W289 V291 E296	I230-M294 HydrophobicContact CD1-CE 4.28Å; L238-M294 HydrophobicContact CB-CE 3.72Å; L238-M294 HydrophobicContact CD2-CE 4.43Å; E251-M294 HydrophobicContact CB-CB 4.26Å; E251-M294 HydrophobicContact CB-CG 4.08Å; P254-M294 WeakPolarHBondContact CD-O 3.31Å; W289-M294 HydrophobicContact CB-CE 4.3Å; W289-M294 HydrophobicContact CB-SD 3.85Å; W289-M294 HydrophobicContact CD2-CE 4.23Å; W289-M294 HydrophobicContact CD2-SD 4.49Å; W289-M294 HydrophobicContact CE3-CE 4.09Å; W289-M294 HydrophobicContact CE3-SD 4.13Å; W289-M294 HydrophobicContact CG-CE 4.34Å; W289-M294 HydrophobicContact CG-SD 4.42Å; V291-M294 HydrophobicContact CG2-SD 4.39Å; M294-E296 VanDerWaalsContact C-N 3.35Å; M294-E296 PolarHBondContact O-N 2.85Å
295	S	92.6	Very high	93.7	Very high	54 Å²	54	40.6 Å²	40.6	38%	0.378	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.4	-178.4	64.3	0	0	0	0	113	P254 H257 K293	P254-S295 WeakPolarHBondContact CD-O 3.38Å; P254-S295 WeakPolarHBondContact CG-O 3.37Å; H257-S295 PolarHBondContact ND1-O 3.05Å; K293-S295 WeakPolarHBondContact CE-OG 3.45Å; K293-S295 PolarHBondContact O-N 3.39Å
296	E	93.7	Very high	93.5	Very high	101 Å²	101	43.3 Å²	43.3	47%	0.472	21%	0.213	S	C	.	.	S	Bend	trans	-144.5	144.5	-178.5	-68.2	173.1	170.7	0	0	108.6	M294	M294-E296 VanDerWaalsContact C-N 3.35Å; M294-E296 PolarHBondContact O-N 2.85Å
297	P	94.9	Very high	93.2	Very high	27 Å²	27	46.5 Å²	46.5	18%	0.175	23%	0.226	C	C	.	.			trans	-66.4	143.2	171.5	28.8	-33.6	0	0	0	109.8	F287 W288 W289 E299	F287-P297 HydrophobicContact CB-CB 4.23Å; F287-P297 HydrophobicContact CD1-CB 3.73Å; F287-P297 HydrophobicContact CD1-CG 3.69Å; F287-P297 HydrophobicContact CE1-CG 4.06Å; F287-P297 HydrophobicContact CG-CB 4.33Å; W288-P297 CarbonylContact O-C 3.51Å; W288-P297 WeakPolarHBondContact O-CA 3.43Å; W288-P297 WeakPolarHBondContact O-CB 3.45Å; W289-P297 HydrophobicContact CD2-CB 4.13Å; W289-P297 HydrophobicContact CE3-CB 4.14Å; W289-P297 HydrophobicContact CH2-CB 4.03Å; W289-P297 HydrophobicContact CH2-CG 4.17Å; W289-P297 HydrophobicContact CZ2-CB 4Å; W289-P297 HydrophobicContact CZ2-CG 4.39Å; W289-P297 HydrophobicContact CZ3-CB 4.11Å; W289-P297 HydrophobicContact CZ3-CG 4.47Å; P297-E299 VanDerWaalsContact C-N 3.28Å; P297-E299 PolarHBondContact O-N 3.44Å
298	T	93.1	Very high	92.8	Very high	77 Å²	77	53.7 Å²	53.7	47%	0.472	26%	0.258	S	S	.	.	S	Bend	trans	-64.1	-35.1	176.4	59.2	0	0	0	0	112.4	W288 D290	W288-T298 WeakPolarHBondContact CB-OG1 3.05Å; W288-T298 PolarHBondContact O-N 3.13Å; W288-T298 PolarHBondContact O-OG1 2.92Å; D290-T298 HydrophobicContact CB-CG2 4.06Å
299	E	92.9	Very high	92.5	Very high	57 Å²	57	55.6 Å²	55.6	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	161.7	179.6	-174.6	169.5	-161.4	0	0	108.6	W288 P297 R344 K352	W288-E299 HydrophobicContact CD2-CB 4.43Å; W288-E299 HydrophobicContact CE3-CB 3.72Å; W288-E299 HydrophobicContact CE3-CG 3.86Å; W288-E299 HydrophobicContact CZ3-CB 4.38Å; W288-E299 HydrophobicContact CZ3-CG 4Å; W288-E299 PolarHBondContact N-O 2.86Å; P297-E299 VanDerWaalsContact C-N 3.28Å; P297-E299 PolarHBondContact O-N 3.44Å; E299-R344 IonicContact OE2-NE 3.29Å; E299-K352 WeakPolarHBondContact OE1-CE 2.87Å; E299-K352 IonicContact OE1-NZ 3.63Å; E299-K352 PolarHBondContact OE1-NZ 2.88Å
300	F	93.5	Very high	92.1	Very high	97 Å²	97	59 Å²	59	43%	0.425	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161	167.9	69.9	-89.6	0	0	0	111.8	V286 F287 Y302	V286-F300 CarbonylContact O-C 3.53Å; V286-F300 WeakPolarHBondContact O-CA 3.23Å; F287-F300 HydrophobicContact CD1-CB 3.36Å; F287-F300 HydrophobicContact CD1-CG 4.39Å; F287-F300 HydrophobicContact CE1-CB 3.42Å; F287-F300 VanDerWaalsContact CE1-CB 3.42Å; F287-F300 HydrophobicContact CE1-CD1 4.46Å; F287-F300 HydrophobicContact CE1-CG 4.01Å; F287-F300 HydrophobicContact CG-CB 4.39Å; F287-F300 HydrophobicContact CZ-CB 4.48Å; F300-Y302 HydrophobicContact CD2-CE2 4.37Å; F300-Y302 HydrophobicContact CE2-CD2 4.37Å; F300-Y302 AromaticContact CE2-CE2 3.66Å; F300-Y302 HydrophobicContact CE2-CE2 3.66Å; F300-Y302 AromaticContact CE2-CZ 3.76Å
301	L	94.1	Very high	91.8	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132	178.3	178.1	73.4	0	0	0	110.1	Q285 V286 W288 F330 C342 K352	Q285-L301 WeakPolarHBondContact CA-O 3.45Å; V286-L301 PolarHBondContact N-O 3.09Å; V286-L301 PolarHBondContact O-N 2.84Å; W288-L301 HydrophobicContact CH2-CB 3.64Å; W288-L301 HydrophobicContact CH2-CD2 4.21Å; W288-L301 HydrophobicContact CZ3-CB 3.64Å; L301-F330 HydrophobicContact CD2-CZ 3.88Å; L301-C342 HydrophobicContact CD2-CB 4.14Å; L301-K352 HydrophobicContact CD1-CB 3.87Å; L301-K352 HydrophobicContact CD1-CD 3.67Å; L301-K352 HydrophobicContact CD1-CG 4.44Å
302	Y	94.5	Very high	91.7	Very high	51 Å²	51	65.9 Å²	65.9	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.9	167.2	-62.7	-67.2	0	0	0	110.2	Q285 F300 D304 Q309 I311 A314	Q285-Y302 VanDerWaalsContact CD-CE1 3.49Å; Q285-Y302 HydrophobicContact CG-CD1 3.44Å; Q285-Y302 VanDerWaalsContact CG-CD1 3.44Å; Q285-Y302 HydrophobicContact CG-CE1 3.5Å; F300-Y302 HydrophobicContact CD2-CE2 4.37Å; F300-Y302 HydrophobicContact CE2-CD2 4.37Å; F300-Y302 AromaticContact CE2-CE2 3.66Å; F300-Y302 HydrophobicContact CE2-CE2 3.66Å; F300-Y302 AromaticContact CE2-CZ 3.76Å; Y302-D304 PolarHBondContact O-N 3.25Å; Y302-Q309 HydrophobicContact CD2-CB 4.21Å; Y302-Q309 PolarHBondContact O-NE2 3.19Å; Y302-I311 HydrophobicContact CD1-CB 4.44Å; Y302-I311 HydrophobicContact CD1-CG1 4.31Å; Y302-I311 HydrophobicContact CE1-CB 4.14Å; Y302-I311 HydrophobicContact CE1-CD1 4Å; Y302-I311 HydrophobicContact CE1-CG1 3.93Å; Y302-A314 HydrophobicContact CD1-CB 4.37Å
303	L	93.6	Very high	91.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.315	C	S	.	.			trans	-78.7	61.6	174.9	-66.1	-179.4	0	0	0	110.6	G284 V286 P305 Q315 A317 A332 I340	G284-L303 PolarHBondContact O-N 2.89Å; V286-L303 HydrophobicContact CG2-CD1 3.85Å; V286-L303 HydrophobicContact CG2-CD2 3.82Å; V286-L303 HydrophobicContact CG2-CG 3.89Å; L303-P305 WeakPolarHBondContact O-CD 3.28Å; L303-Q315 WeakPolarHBondContact CB-O 3.45Å; L303-Q315 PolarHBondContact O-N 3.16Å; L303-A317 HydrophobicContact CD1-CB 3.53Å; L303-A332 HydrophobicContact CD1-CB 3.71Å; L303-A332 HydrophobicContact CD2-CB 3.94Å; L303-I340 HydrophobicContact CB-CD1 4.12Å
304	D	92.8	Very high	91.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.			trans	-94.9	110.6	-178.6	167.1	19.6	0	0	0	110.7	Y302 T306 K307 K308 Q309 D310 C313 I353	Y302-D304 PolarHBondContact O-N 3.25Å; D304-T306 PolarHBondContact O-N 3.39Å; D304-T306 VanDerWaalsContact O-N 3.1Å; D304-T306 WeakPolarHBondContact OD1-CA 3.4Å; D304-T306 VanDerWaalsContact OD1-CB 3.28Å; D304-T306 WeakPolarHBondContact OD1-CB 3.42Å; D304-T306 PolarHBondContact OD1-N 3.44Å; D304-T306 PolarHBondContact OD1-OG1 2.98Å; D304-T306 PolarHBondContact OD2-OG1 2.87Å; D304-K307 PolarHBondContact O-N 2.91Å; D304-K308 WeakPolarHBondContact OD2-CA 3.16Å; D304-K308 PolarHBondContact OD2-N 3.2Å; D304-Q309 PolarHBondContact OD2-N 3.08Å; D304-D310 PolarHBondContact OD2-N 3.03Å; D304-C313 HydrophobicContact CB-CB 4.49Å; D304-C313 WeakPolarHBondContact OD1-CB 3.42Å; D304-I353 WeakPolarHBondContact O-CD1 3.01Å
305	P	90.4	Very high	91.9	Very high	28 Å²	28	56.8 Å²	56.8	18%	0.182	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	178.2	-21.3	32.2	0	0	0	113.7	L303 K307 C313 Q315 I340 I356	L303-P305 WeakPolarHBondContact O-CD 3.28Å; P305-K307 PolarHBondContact O-N 2.83Å; P305-C313 VanDerWaalsContact CD-O 3.32Å; P305-C313 WeakPolarHBondContact CD-O 3.24Å; P305-Q315 VanDerWaalsContact CG-CD 3.4Å; P305-Q315 HydrophobicContact CG-CG 4.04Å; P305-I340 HydrophobicContact CG-CD1 4.21Å; P305-I356 HydrophobicContact CB-CD1 4.06Å; P305-I356 WeakPolarHBondContact O-CD1 3.23Å
306	T	90.5	Very high	92	Very high	72 Å²	72	54.4 Å²	54.4	44%	0.442	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.9	177.7	77.9	0	0	0	0	113.1	D304 K308 C313	D304-T306 PolarHBondContact O-N 3.39Å; D304-T306 VanDerWaalsContact O-N 3.1Å; D304-T306 WeakPolarHBondContact OD1-CA 3.4Å; D304-T306 VanDerWaalsContact OD1-CB 3.28Å; D304-T306 WeakPolarHBondContact OD1-CB 3.42Å; D304-T306 PolarHBondContact OD1-N 3.44Å; D304-T306 PolarHBondContact OD1-OG1 2.98Å; D304-T306 PolarHBondContact OD2-OG1 2.87Å; T306-K308 PolarHBondContact O-N 2.79Å; T306-C313 HydrophobicContact CG2-CB 4.4Å
307	K	89.8	Confident	92.1	Very high	66 Å²	66	49.6 Å²	49.6	29%	0.287	26%	0.264	S	S	.	.	S	Bend	trans	62.8	20.1	178.9	-46.3	-170.4	-177.6	-161.3	0	114.9	D304 P305 P349 A350 I353	D304-K307 PolarHBondContact O-N 2.91Å; P305-K307 PolarHBondContact O-N 2.83Å; K307-P349 WeakPolarHBondContact O-CB 2.99Å; K307-A350 HydrophobicContact CB-CB 4.34Å; K307-A350 HydrophobicContact CD-CB 4.25Å; K307-I353 HydrophobicContact CD-CB 4.35Å; K307-I353 HydrophobicContact CD-CG2 4.35Å; K307-I353 VanDerWaalsContact CE-O 3.27Å; K307-I353 WeakPolarHBondContact CE-O 2.79Å; K307-I353 HydrophobicContact CG-CB 4.12Å; K307-I353 HydrophobicContact CG-CG2 4.07Å; K307-I353 PolarHBondContact NZ-O 3.35Å
308	K	87.7	Confident	92.1	Very high	162 Å²	162	51.2 Å²	51.2	70%	0.704	27%	0.267	S	S	*	.	S	Bend	trans	-95.8	-9.8	-178.9	-67.1	178.9	-177.7	176.8	0	113.3	D304 T306 D310	D304-K308 WeakPolarHBondContact OD2-CA 3.16Å; D304-K308 PolarHBondContact OD2-N 3.2Å; T306-K308 PolarHBondContact O-N 2.79Å; K308-D310 VanDerWaalsContact C-N 3.27Å
309	Q	87.8	Confident	92.2	Very high	44 Å²	44	47.7 Å²	47.7	21%	0.206	25%	0.246	C	C	.	.			trans	62.2	37.4	-175	-65.1	-70.9	-62	0	0	111.9	Y302 D304 P349	Y302-Q309 HydrophobicContact CD2-CB 4.21Å; Y302-Q309 PolarHBondContact O-NE2 3.19Å; D304-Q309 PolarHBondContact OD2-N 3.08Å; Q309-P349 HydrophobicContact CG-CB 3.67Å; Q309-P349 HydrophobicContact CG-CG 3.93Å
310	D	88.4	Confident	92.3	Very high	74 Å²	74	45 Å²	45	40%	0.396	23%	0.234	S	C	.	.			trans	-90.3	128.5	172.4	-162.9	-9.2	0	0	0	110	D304 K308 S312 C313 A314	D304-D310 PolarHBondContact OD2-N 3.03Å; K308-D310 VanDerWaalsContact C-N 3.27Å; D310-S312 VanDerWaalsContact C-N 3.26Å; D310-S312 PolarHBondContact O-N 2.96Å; D310-S312 PolarHBondContact OD1-N 2.88Å; D310-S312 PolarHBondContact OD1-OG 2.89Å; D310-S312 PolarHBondContact OD2-OG 3.44Å; D310-C313 HydrophobicContact CB-CB 4.41Å; D310-C313 PolarHBondContact O-N 2.94Å; D310-A314 PolarHBondContact O-N 3.3Å
311	I	89	Confident	92.4	Very high	82 Å²	82	42 Å²	42	42%	0.421	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.6	-30.7	-179	-167.6	169.3	0	0	0	111.6	Y302 C313 A314	Y302-I311 HydrophobicContact CD1-CB 4.44Å; Y302-I311 HydrophobicContact CD1-CG1 4.31Å; Y302-I311 HydrophobicContact CE1-CB 4.14Å; Y302-I311 HydrophobicContact CE1-CD1 4Å; Y302-I311 HydrophobicContact CE1-CG1 3.93Å; I311-C313 PolarHBondContact O-N 2.77Å; I311-A314 WeakPolarHBondContact O-CB 3.35Å; I311-A314 PolarHBondContact O-N 2.94Å
312	S	91.1	Very high	92.3	Very high	96 Å²	96	43.1 Å²	43.1	67%	0.671	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-69.1	-21.8	178.8	62.3	0	0	0	0	113.2	D310	D310-S312 VanDerWaalsContact C-N 3.26Å; D310-S312 PolarHBondContact O-N 2.96Å; D310-S312 PolarHBondContact OD1-N 2.88Å; D310-S312 PolarHBondContact OD1-OG 2.89Å; D310-S312 PolarHBondContact OD2-OG 3.44Å
313	C	92	Very high	92	Very high	47 Å²	47	41.2 Å²	41.2	32%	0.318	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-100.8	-2.5	178.3	-62.4	0	0	0	0	112.2	D304 P305 T306 D310 I311	D304-C313 HydrophobicContact CB-CB 4.49Å; D304-C313 WeakPolarHBondContact OD1-CB 3.42Å; P305-C313 VanDerWaalsContact CD-O 3.32Å; P305-C313 WeakPolarHBondContact CD-O 3.24Å; T306-C313 HydrophobicContact CG2-CB 4.4Å; D310-C313 HydrophobicContact CB-CB 4.41Å; D310-C313 PolarHBondContact O-N 2.94Å; I311-C313 PolarHBondContact O-N 2.77Å
314	A	93	Very high	91.5	Very high	22 Å²	22	44.4 Å²	44.4	18%	0.182	24%	0.24	C	C	.	.			trans	-69.4	133.4	179.1	0	0	0	0	0	110.3	Y302 D310 I311	Y302-A314 HydrophobicContact CD1-CB 4.37Å; D310-A314 PolarHBondContact O-N 3.3Å; I311-A314 WeakPolarHBondContact O-CB 3.35Å; I311-A314 PolarHBondContact O-N 2.94Å
315	Q	94	Very high	91.1	Very high	34 Å²	34	48.7 Å²	48.7	16%	0.159	27%	0.267	C	S	.	.			trans	-105.4	128.1	-179.9	-71.2	-175.9	-13.9	0	0	109.8	G284 L303 P305 T334 Q336	G284-Q315 VanDerWaalsContact CA-O 3.22Å; G284-Q315 WeakPolarHBondContact CA-O 3.36Å; L303-Q315 WeakPolarHBondContact CB-O 3.45Å; L303-Q315 PolarHBondContact O-N 3.16Å; P305-Q315 VanDerWaalsContact CG-CD 3.4Å; P305-Q315 HydrophobicContact CG-CG 4.04Å; Q315-T334 HydrophobicContact CB-CG2 3.8Å; Q315-Q336 HydrophobicContact CG-CG 4.49Å
316	G	94.8	Very high	90.8	Very high	4 Å²	4	52.3 Å²	52.3	4%	0.041	28%	0.283	C	S	.	.			trans	-54.7	151.4	172.4	0	0	0	0	0	111.7	T282 T334 E335	T282-G316 VanDerWaalsContact O-CA 3.29Å; T282-G316 WeakPolarHBondContact O-CA 3.46Å; G316-T334 CarbonylContact O-C 3.55Å; G316-T334 WeakPolarHBondContact O-CA 3.17Å; G316-T334 VanDerWaalsContact O-CB 3.28Å; G316-T334 WeakPolarHBondContact O-CB 3.27Å; G316-E335 WeakPolarHBondContact O-CG 3.01Å; G316-E335 PolarHBondContact O-N 3.44Å
317	A	96.1	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137	177	0	0	0	0	0	112.8	T280 G281 L303 A332 G333	T280-A317 HydrophobicContact CG2-CB 4.34Å; T280-A317 VanDerWaalsContact CG2-O 3.3Å; T280-A317 WeakPolarHBondContact CG2-O 3.21Å; T280-A317 WeakPolarHBondContact OG1-CB 3.44Å; T280-A317 PolarHBondContact OG1-O 3.08Å; G281-A317 PolarHBondContact O-N 3.48Å; L303-A317 HydrophobicContact CD1-CB 3.53Å; A317-A332 HydrophobicContact CB-CB 4.1Å; A317-G333 VanDerWaalsContact CA-O 3.29Å; A317-G333 WeakPolarHBondContact CA-O 3.37Å; A317-G333 VanDerWaalsContact CB-O 3.29Å; A317-G333 WeakPolarHBondContact CB-O 3.44Å
318	Y	94.3	Very high	90.3	Very high	61 Å²	61	50 Å²	50	24%	0.239	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-37.7	178.1	-82.2	-73.9	0	0	0	111.9	W264 G333 E335 P363 I364	W264-Y318 HydrophobicContact CB-CD1 4.18Å; W264-Y318 AromaticContact CD1-CD1 3.66Å; W264-Y318 AromaticContact CD1-CE1 3.8Å; W264-Y318 AromaticContact CD2-CD1 3.55Å; W264-Y318 HydrophobicContact CD2-CD1 3.55Å; W264-Y318 AromaticContact CD2-CE1 3.53Å; W264-Y318 HydrophobicContact CD2-CE1 3.53Å; W264-Y318 AromaticContact CE2-CD1 3.77Å; W264-Y318 AromaticContact CE2-CE1 3.25Å; W264-Y318 HydrophobicContact CE3-CD1 4.08Å; W264-Y318 HydrophobicContact CE3-CE1 4.06Å; W264-Y318 AromaticContact CG-CD1 3.55Å; W264-Y318 HydrophobicContact CG-CD1 3.55Å; W264-Y318 AromaticContact CG-CE1 3.92Å; W264-Y318 HydrophobicContact CG-CE1 3.92Å; W264-Y318 HydrophobicContact CG-CG 4.47Å; W264-Y318 HydrophobicContact CH2-CE1 4.15Å; W264-Y318 HydrophobicContact CZ2-CD1 4.49Å; W264-Y318 AromaticContact CZ2-CE1 3.61Å; W264-Y318 HydrophobicContact CZ2-CE1 3.61Å; W264-Y318 HydrophobicContact CZ3-CE1 4.34Å; W264-Y318 AromaticContact NE1-CD1 3.76Å; W264-Y318 AromaticContact NE1-CE1 3.37Å; Y318-G333 PolarHBondContact N-O 3.13Å; Y318-E335 HydrophobicContact CD2-CB 4.14Å; Y318-E335 HydrophobicContact CD2-CG 3.56Å; Y318-E335 HydrophobicContact CE2-CB 3.89Å; Y318-E335 VanDerWaalsContact CE2-CD 3.45Å; Y318-E335 HydrophobicContact CE2-CG 3.39Å; Y318-E335 WeakPolarHBondContact CE2-OE1 3.29Å; Y318-P363 HydrophobicContact CD2-CB 4.01Å; Y318-P363 HydrophobicContact CE2-CB 4Å; Y318-I364 WeakPolarHBondContact CB-O 3.39Å
319	A	95.4	Very high	90.5	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.1	-174.8	0	0	0	0	0	111.4	A332 G333 L367	A319-A332 CarbonylContact O-C 3.51Å; A319-A332 WeakPolarHBondContact O-CA 3.18Å; A319-G333 PolarHBondContact N-O 3Å; A319-G333 PolarHBondContact O-N 3.19Å; A319-L367 HydrophobicContact CB-CB 3.74Å
320	L	95.7	Very high	90.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.2	169.4	-71.6	173.9	0	0	0	109.2	K265 L267 F278 T280 V286 M331 A332	K265-L320 HydrophobicContact CB-CB 4.28Å; K265-L320 HydrophobicContact CB-CD1 4.25Å; K265-L320 HydrophobicContact CB-CG 4.26Å; K265-L320 HydrophobicContact CG-CB 4.11Å; L267-L320 HydrophobicContact CD1-CB 3.95Å; L267-L320 WeakPolarHBondContact CD1-O 3.45Å; F278-L320 HydrophobicContact CD2-CD1 3.82Å; F278-L320 HydrophobicContact CE2-CB 4.05Å; F278-L320 HydrophobicContact CE2-CD1 3.68Å; F278-L320 HydrophobicContact CE2-CD2 4.13Å; F278-L320 HydrophobicContact CE2-CG 4.18Å; F278-L320 HydrophobicContact CZ-CB 4.47Å; T280-L320 HydrophobicContact CG2-CD1 3.58Å; T280-L320 HydrophobicContact CG2-CD2 4.02Å; T280-L320 HydrophobicContact CG2-CG 3.44Å; T280-L320 VanDerWaalsContact CG2-CG 3.44Å; V286-L320 HydrophobicContact CG2-CD2 4.29Å; L320-M331 WeakPolarHBondContact CA-O 3.44Å; L320-A332 HydrophobicContact CD2-CB 3.81Å
321	E	95.1	Very high	91.2	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.6	170.3	178.9	64.9	164.5	0	0	112.1	F330 M331 L367 Q368 R369	E321-F330 CarbonylContact O-C 3.21Å; E321-F330 WeakPolarHBondContact O-CA 3.25Å; E321-F330 WeakPolarHBondContact O-CB 3.36Å; E321-M331 PolarHBondContact N-O 3.39Å; E321-M331 PolarHBondContact O-N 3.33Å; E321-L367 HydrophobicContact CB-CB 4.48Å; E321-L367 HydrophobicContact CB-CD2 4.22Å; E321-L367 HydrophobicContact CB-CG 4.15Å; E321-Q368 WeakPolarHBondContact OE1-CG 3.43Å; E321-R369 HydrophobicContact CG-CB 4.26Å; E321-R369 HydrophobicContact CG-CG 3.96Å; E321-R369 PolarHBondContact O-NH1 3.09Å; E321-R369 PolarHBondContact OE1-N 3.32Å
322	Y	91.9	Very high	91.6	Very high	24 Å²	24	34.8 Å²	34.8	9%	0.094	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147	-177.5	178.4	-99.9	0	0	0	111.7	I269 Q270 F278 P327 F330	I269-Y322 HydrophobicContact CG2-CE2 4.03Å; Q270-Y322 HydrophobicContact CB-CE1 4.43Å; F278-Y322 HydrophobicContact CE1-CD2 4.16Å; F278-Y322 HydrophobicContact CE1-CG 4.27Å; F278-Y322 HydrophobicContact CZ-CD2 4.38Å; F278-Y322 HydrophobicContact CZ-CG 4.48Å; Y322-P327 WeakPolarHBondContact CE2-O 3.43Å; Y322-P327 WeakPolarHBondContact OH-CA 3.34Å; Y322-P327 WeakPolarHBondContact OH-CB 3.45Å; Y322-P327 WeakPolarHBondContact OH-CD 3.29Å; Y322-P327 PolarHBondContact OH-O 2.84Å; Y322-F330 HydrophobicContact CD2-CB 4.41Å
323	E	89	Confident	91.8	Very high	11 Å²	11	30.2 Å²	30.2	5%	0.051	17%	0.17	C	C	.	.			trans	-86.7	109.4	173.7	-167.4	-170.8	145.7	0	0	110.9	T325 M326 K329 P374	E323-T325 VanDerWaalsContact C-N 3.27Å; E323-T325 WeakPolarHBondContact CG-OG1 3.41Å; E323-T325 PolarHBondContact O-N 3.09Å; E323-T325 PolarHBondContact OE1-OG1 3.28Å; E323-M326 CarbonylContact O-C 3.54Å; E323-M326 PolarHBondContact O-N 3.01Å; E323-M326 WeakPolarHBondContact OE1-CE 3.16Å; E323-M326 WeakPolarHBondContact OE2-CE 3.4Å; E323-K329 HydrophobicContact CB-CB 4.21Å; E323-K329 PolarHBondContact N-O 3.33Å; E323-K329 WeakPolarHBondContact OE2-CB 3.02Å; E323-K329 WeakPolarHBondContact OE2-CD 3.45Å; E323-P374 HydrophobicContact CG-CB 4.45Å
324	S	83.3	Confident	92	Very high	67 Å²	67	28 Å²	28	47%	0.469	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.1	-178.6	55.9	0	0	0	0	113.8	Q270	Q270-S324 PolarHBondContact OE1-O 2.97Å
325	T	84.6	Confident	92.1	Very high	91 Å²	91	29.3 Å²	29.3	56%	0.558	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-30.7	179.9	38.1	0	0	0	0	113.9	E323	E323-T325 VanDerWaalsContact C-N 3.27Å; E323-T325 WeakPolarHBondContact CG-OG1 3.41Å; E323-T325 PolarHBondContact O-N 3.09Å; E323-T325 PolarHBondContact OE1-OG1 3.28Å
326	M	84.1	Confident	92.1	Very high	103 Å²	103	32.2 Å²	32.2	51%	0.507	17%	0.171	S	C	.	.	S	Bend	trans	-131.6	97.7	-175.9	-70.8	-166.2	-75.5	0	0	112.1	E323 T328 K329	E323-M326 CarbonylContact O-C 3.54Å; E323-M326 PolarHBondContact O-N 3.01Å; E323-M326 WeakPolarHBondContact OE1-CE 3.16Å; E323-M326 WeakPolarHBondContact OE2-CE 3.4Å; M326-T328 PolarHBondContact O-N 2.58Å; M326-K329 PolarHBondContact O-N 3.22Å
327	P	79.1	Confident	92	Very high	62 Å²	62	32.1 Å²	32.1	40%	0.403	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	33.2	-55.5	140.7	31.2	-30.1	0	0	0	123.1	Y322	Y322-P327 WeakPolarHBondContact CE2-O 3.43Å; Y322-P327 WeakPolarHBondContact OH-CA 3.34Å; Y322-P327 WeakPolarHBondContact OH-CB 3.45Å; Y322-P327 WeakPolarHBondContact OH-CD 3.29Å; Y322-P327 PolarHBondContact OH-O 2.84Å
328	T	88.9	Confident	92	Very high	27 Å²	27	33.8 Å²	33.8	17%	0.166	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.1	-23.5	-141.5	61.4	0	0	0	0	111.1	M326 N343 R344 K345	M326-T328 PolarHBondContact O-N 2.58Å; T328-N343 VanDerWaalsContact CB-OD1 3.26Å; T328-N343 WeakPolarHBondContact CB-OD1 3.29Å; T328-N343 CarbonylContact O-C 3.41Å; T328-N343 WeakPolarHBondContact O-CA 3.26Å; T328-N343 PolarHBondContact O-OD1 2.86Å; T328-N343 PolarHBondContact OG1-OD1 3.47Å; T328-R344 PolarHBondContact O-N 3.45Å; T328-K345 HydrophobicContact CG2-CB 4.3Å; T328-K345 HydrophobicContact CG2-CD 3.58Å; T328-K345 VanDerWaalsContact CG2-CE 3.48Å; T328-K345 HydrophobicContact CG2-CG 3.57Å
329	K	93.3	Very high	92.1	Very high	41 Å²	41	30.9 Å²	30.9	18%	0.178	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.2	-179.3	-162	-175.3	-170.6	175.9	0	109.6	E323 M326 C342 E390	E323-K329 HydrophobicContact CB-CB 4.21Å; E323-K329 PolarHBondContact N-O 3.33Å; E323-K329 WeakPolarHBondContact OE2-CB 3.02Å; E323-K329 WeakPolarHBondContact OE2-CD 3.45Å; M326-K329 PolarHBondContact O-N 3.22Å; K329-C342 WeakPolarHBondContact CA-O 3.49Å; K329-E390 WeakPolarHBondContact CE-OE1 3.36Å; K329-E390 IonicContact NZ-OE1 3.91Å; K329-E390 PolarHBondContact NZ-OE1 3.13Å; K329-E390 IonicContact NZ-OE2 3.23Å; K329-E390 PolarHBondContact NZ-OE2 3.31Å
330	F	94.9	Very high	92.2	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.013	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	172	175.6	69	-79.6	0	0	0	109.6	F278 V286 W288 L301 E321 Y322 C342	F278-F330 HydrophobicContact CE2-CB 4.37Å; F278-F330 HydrophobicContact CE2-CD2 4.3Å; F278-F330 HydrophobicContact CE2-CG 4.5Å; F278-F330 HydrophobicContact CZ-CB 4.49Å; V286-F330 HydrophobicContact CG1-CE2 4.17Å; V286-F330 HydrophobicContact CG1-CZ 4.37Å; V286-F330 HydrophobicContact CG2-CE2 4.23Å; W288-F330 HydrophobicContact CH2-CE1 4.02Å; W288-F330 AromaticContact CH2-CZ 3.85Å; W288-F330 HydrophobicContact CH2-CZ 3.85Å; W288-F330 HydrophobicContact CZ2-CD1 4.28Å; W288-F330 AromaticContact CZ2-CE1 3.44Å; W288-F330 HydrophobicContact CZ2-CE1 3.44Å; W288-F330 VanDerWaalsContact CZ2-CE1 3.44Å; W288-F330 AromaticContact CZ2-CZ 3.55Å; W288-F330 HydrophobicContact CZ2-CZ 3.55Å; L301-F330 HydrophobicContact CD2-CZ 3.88Å; E321-F330 CarbonylContact O-C 3.21Å; E321-F330 WeakPolarHBondContact O-CA 3.25Å; E321-F330 WeakPolarHBondContact O-CB 3.36Å; Y322-F330 HydrophobicContact CD2-CB 4.41Å; F330-C342 HydrophobicContact CD1-CB 3.83Å; F330-C342 HydrophobicContact CD2-CB 4.12Å; F330-C342 HydrophobicContact CE1-CB 3.23Å; F330-C342 HydrophobicContact CE2-CB 3.59Å; F330-C342 HydrophobicContact CG-CB 4.24Å; F330-C342 HydrophobicContact CZ-CB 3.14Å; F330-C342 PolarHBondContact N-O 3.47Å; F330-C342 PolarHBondContact O-N 2.97Å
331	M	95.6	Very high	92.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.4	173.9	-65.5	163.9	166.6	0	0	109.6	L320 E321 I339 I340 L367 R369 F377 E390	L320-M331 WeakPolarHBondContact CA-O 3.44Å; E321-M331 PolarHBondContact N-O 3.39Å; E321-M331 PolarHBondContact O-N 3.33Å; M331-I339 HydrophobicContact CB-CG2 4.31Å; M331-I340 CarbonylContact C-O 3.54Å; M331-I340 VanDerWaalsContact CA-O 3.24Å; M331-I340 WeakPolarHBondContact CA-O 3.35Å; M331-L367 HydrophobicContact CB-CD2 3.46Å; M331-L367 VanDerWaalsContact CB-CD2 3.46Å; M331-R369 VanDerWaalsContact CE-NH2 3.32Å; M331-R369 PolarHBondContact SD-NH2 2.87Å; M331-R369 VanDerWaalsContact SD-NH2 3.44Å; M331-F377 HydrophobicContact CE-CD1 3.49Å; M331-F377 VanDerWaalsContact CE-CD1 3.49Å; M331-F377 HydrophobicContact CE-CE1 3.46Å; M331-F377 VanDerWaalsContact CE-CE1 3.46Å; M331-F377 HydrophobicContact CE-CG 4.12Å; M331-F377 HydrophobicContact CE-CZ 4.05Å; M331-F377 HydrophobicContact SD-CB 4.46Å; M331-F377 HydrophobicContact SD-CD1 3.98Å; M331-F377 HydrophobicContact SD-CD2 4.25Å; M331-F377 HydrophobicContact SD-CE1 4.24Å; M331-F377 HydrophobicContact SD-CE2 4.48Å; M331-F377 HydrophobicContact SD-CG 3.97Å; M331-F377 HydrophobicContact SD-CZ 4.46Å; M331-E390 HydrophobicContact CE-CG 3.43Å; M331-E390 VanDerWaalsContact CE-CG 3.43Å; M331-E390 WeakPolarHBondContact CE-OE1 3.29Å
332	A	96.8	Very high	92.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.6	172.6	0	0	0	0	0	109.4	L303 A317 A319 L320 I339 I340	L303-A332 HydrophobicContact CD1-CB 3.71Å; L303-A332 HydrophobicContact CD2-CB 3.94Å; A317-A332 HydrophobicContact CB-CB 4.1Å; A319-A332 CarbonylContact O-C 3.51Å; A319-A332 WeakPolarHBondContact O-CA 3.18Å; L320-A332 HydrophobicContact CD2-CB 3.81Å; A332-I339 WeakPolarHBondContact O-CA 3.27Å; A332-I340 PolarHBondContact N-O 3.47Å; A332-I340 PolarHBondContact O-N 3.27Å
333	G	96.6	Very high	92.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.4	171.3	0	0	0	0	0	109.5	A317 Y318 A319	A317-G333 VanDerWaalsContact CA-O 3.29Å; A317-G333 WeakPolarHBondContact CA-O 3.37Å; A317-G333 VanDerWaalsContact CB-O 3.29Å; A317-G333 WeakPolarHBondContact CB-O 3.44Å; Y318-G333 PolarHBondContact N-O 3.13Å; A319-G333 PolarHBondContact N-O 3Å; A319-G333 PolarHBondContact O-N 3.19Å
334	T	96.3	Very high	92.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	161.7	-175.8	63.6	0	0	0	0	112.8	Q315 G316 Q336 G337 I338 I340 I364	Q315-T334 HydrophobicContact CB-CG2 3.8Å; G316-T334 CarbonylContact O-C 3.55Å; G316-T334 WeakPolarHBondContact O-CA 3.17Å; G316-T334 VanDerWaalsContact O-CB 3.28Å; G316-T334 WeakPolarHBondContact O-CB 3.27Å; T334-Q336 PolarHBondContact O-N 2.78Å; T334-G337 PolarHBondContact O-N 3.29Å; T334-I338 WeakPolarHBondContact CB-O 3.44Å; T334-I338 WeakPolarHBondContact CG2-O 3.26Å; T334-I338 PolarHBondContact N-O 2.86Å; T334-I338 WeakPolarHBondContact OG1-CA 3.41Å; T334-I338 WeakPolarHBondContact OG1-CB 3.36Å; T334-I338 PolarHBondContact OG1-N 3.17Å; T334-I338 PolarHBondContact OG1-O 2.92Å; T334-I340 HydrophobicContact CG2-CD1 3.72Å; T334-I340 HydrophobicContact CG2-CG1 4.03Å; T334-I364 PolarHBondContact O-N 2.94Å
335	E	94.1	Very high	92.7	Very high	49 Å²	49	36.7 Å²	36.7	23%	0.229	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22	174.9	-40.9	-166.4	146.3	0	0	112.6	T282 G316 Y318 G337 G362 P363	T282-E335 WeakPolarHBondContact CB-OE1 3.35Å; T282-E335 WeakPolarHBondContact CG2-OE1 3.45Å; G316-E335 WeakPolarHBondContact O-CG 3.01Å; G316-E335 PolarHBondContact O-N 3.44Å; Y318-E335 HydrophobicContact CD2-CB 4.14Å; Y318-E335 HydrophobicContact CD2-CG 3.56Å; Y318-E335 HydrophobicContact CE2-CB 3.89Å; Y318-E335 VanDerWaalsContact CE2-CD 3.45Å; Y318-E335 HydrophobicContact CE2-CG 3.39Å; Y318-E335 WeakPolarHBondContact CE2-OE1 3.29Å; E335-G337 VanDerWaalsContact C-N 3.3Å; E335-G337 PolarHBondContact O-N 2.82Å; E335-G362 CarbonylContact O-C 3.4Å; E335-P363 HydrophobicContact CB-CB 4.48Å; E335-P363 WeakPolarHBondContact O-CA 3.44Å
336	Q	93.9	Very high	92.9	Very high	96 Å²	96	32.8 Å²	32.8	45%	0.449	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5	-180	-69.9	73.6	22.1	0	0	113.3	Q315 T334	Q315-Q336 HydrophobicContact CG-CG 4.49Å; T334-Q336 PolarHBondContact O-N 2.78Å
337	G	94	Very high	93.1	Very high	1 Å²	1	37 Å²	37	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	83.4	18.6	176.9	0	0	0	0	0	115	T334 E335 H360 G362 I364	T334-G337 PolarHBondContact O-N 3.29Å; E335-G337 VanDerWaalsContact C-N 3.3Å; E335-G337 PolarHBondContact O-N 2.82Å; G337-H360 PolarHBondContact O-N 2.9Å; G337-G362 WeakPolarHBondContact CA-O 3.45Å; G337-G362 PolarHBondContact N-O 3.44Å; G337-G362 VanDerWaalsContact N-O 3.14Å; G337-I364 VanDerWaalsContact C-CD1 3.48Å
338	I	95.5	Very high	93.6	Very high	35 Å²	35	37 Å²	37	18%	0.179	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.7	178.5	-61.2	172.6	0	0	0	109.4	T334 I340 I356 I364	T334-I338 WeakPolarHBondContact CB-O 3.44Å; T334-I338 WeakPolarHBondContact CG2-O 3.26Å; T334-I338 PolarHBondContact N-O 2.86Å; T334-I338 WeakPolarHBondContact OG1-CA 3.41Å; T334-I338 WeakPolarHBondContact OG1-CB 3.36Å; T334-I338 PolarHBondContact OG1-N 3.17Å; T334-I338 PolarHBondContact OG1-O 2.92Å; I338-I340 HydrophobicContact CG2-CG1 4.11Å; I338-I356 HydrophobicContact CG2-CG2 3.33Å; I338-I364 WeakPolarHBondContact O-CD1 3.34Å
339	I	96.9	Very high	93.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.9	171.7	-55.1	164.8	0	0	0	108.1	M331 A332 I356 Y357 I364 L367 F377	M331-I339 HydrophobicContact CB-CG2 4.31Å; A332-I339 WeakPolarHBondContact O-CA 3.27Å; I339-I356 CarbonylContact O-C 3.44Å; I339-I356 WeakPolarHBondContact O-CA 3.19Å; I339-Y357 HydrophobicContact CB-CD2 4.28Å; I339-Y357 HydrophobicContact CG2-CD2 4.27Å; I339-Y357 PolarHBondContact N-O 2.85Å; I339-Y357 PolarHBondContact O-N 3.4Å; I339-I364 HydrophobicContact CD1-CD1 4.38Å; I339-I364 HydrophobicContact CG1-CD1 3.47Å; I339-I364 VanDerWaalsContact CG1-CD1 3.47Å; I339-L367 HydrophobicContact CD1-CD1 3.93Å; I339-L367 HydrophobicContact CG1-CD1 4.36Å; I339-L367 HydrophobicContact CG2-CD1 4.13Å; I339-L367 HydrophobicContact CG2-CD2 3.93Å; I339-F377 HydrophobicContact CD1-CE2 3.74Å; I339-F377 HydrophobicContact CG2-CE2 4.3Å
340	I	95.6	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.9	179.8	-53.5	179.5	0	0	0	108	L303 P305 M331 A332 T334 I338 C342 I353	L303-I340 HydrophobicContact CB-CD1 4.12Å; P305-I340 HydrophobicContact CG-CD1 4.21Å; M331-I340 CarbonylContact C-O 3.54Å; M331-I340 VanDerWaalsContact CA-O 3.24Å; M331-I340 WeakPolarHBondContact CA-O 3.35Å; A332-I340 PolarHBondContact N-O 3.47Å; A332-I340 PolarHBondContact O-N 3.27Å; T334-I340 HydrophobicContact CG2-CD1 3.72Å; T334-I340 HydrophobicContact CG2-CG1 4.03Å; I338-I340 HydrophobicContact CG2-CG1 4.11Å; I340-C342 VanDerWaalsContact CG2-SG 3.59Å; I340-I353 HydrophobicContact CG2-CG1 4.4Å; I340-I353 HydrophobicContact CG2-CG2 3.58Å
341	S	95.1	Very high	92.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.2	171.7	178.9	0	0	0	0	110.2	V354 A355	S341-V354 PolarHBondContact O-N 3.2Å; S341-A355 PolarHBondContact N-O 3.46Å; S341-A355 PolarHBondContact O-N 2.84Å
342	C	94.8	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.3	-172.6	-65	0	0	0	0	112.1	L301 K329 F330 I340 K352	L301-C342 HydrophobicContact CD2-CB 4.14Å; K329-C342 WeakPolarHBondContact CA-O 3.49Å; F330-C342 HydrophobicContact CD1-CB 3.83Å; F330-C342 HydrophobicContact CD2-CB 4.12Å; F330-C342 HydrophobicContact CE1-CB 3.23Å; F330-C342 HydrophobicContact CE2-CB 3.59Å; F330-C342 HydrophobicContact CG-CB 4.24Å; F330-C342 HydrophobicContact CZ-CB 3.14Å; F330-C342 PolarHBondContact N-O 3.47Å; F330-C342 PolarHBondContact O-N 2.97Å; I340-C342 VanDerWaalsContact CG2-SG 3.59Å; C342-K352 CarbonylContact C-O 3.59Å; C342-K352 WeakPolarHBondContact CA-O 3.36Å; C342-K352 VanDerWaalsContact CB-O 3.29Å; C342-K352 WeakPolarHBondContact CB-O 3.07Å
343	N	94	Very high	92.4	Very high	48 Å²	48	45 Å²	45	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	111.5	173.9	-178	9	0	0	0	109.9	T328 K345 G346 K352 V354	T328-N343 VanDerWaalsContact CB-OD1 3.26Å; T328-N343 WeakPolarHBondContact CB-OD1 3.29Å; T328-N343 CarbonylContact O-C 3.41Å; T328-N343 WeakPolarHBondContact O-CA 3.26Å; T328-N343 PolarHBondContact O-OD1 2.86Å; T328-N343 PolarHBondContact OG1-OD1 3.47Å; N343-K345 PolarHBondContact O-N 3.03Å; N343-K345 VanDerWaalsContact O-N 3.17Å; N343-K345 PolarHBondContact OD1-N 2.7Å; N343-G346 PolarHBondContact O-N 3.42Å; N343-K352 PolarHBondContact N-O 2.81Å; N343-K352 WeakPolarHBondContact O-CA 3.46Å; N343-V354 HydrophobicContact CB-CG2 3.66Å
344	R	91.3	Very high	92.2	Very high	51 Å²	51	47.5 Å²	47.5	19%	0.192	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.6	-179.8	-175.7	-177.7	174	-170.3	0.3	112.8	E276 W288 E299 T328 G346	E276-R344 IonicContact OE2-CZ 3.22Å; E276-R344 IonicContact OE2-NH1 2.82Å; E276-R344 PolarHBondContact OE2-NH1 2.61Å; E276-R344 IonicContact OE2-NH2 3.5Å; W288-R344 HydrophobicContact CD2-CG 4.45Å; W288-R344 HydrophobicContact CZ2-CB 4.12Å; W288-R344 HydrophobicContact CZ2-CG 4.03Å; E299-R344 IonicContact OE2-NE 3.29Å; T328-R344 PolarHBondContact O-N 3.45Å; R344-G346 VanDerWaalsContact C-N 3.29Å; R344-G346 PolarHBondContact O-N 3.3Å
345	K	90.7	Very high	92	Very high	163 Å²	163	47.7 Å²	47.7	71%	0.709	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	7.3	-177.9	-71.6	-169.3	-172.2	173.2	0	114.8	T328 N343 K347	T328-K345 HydrophobicContact CG2-CB 4.3Å; T328-K345 HydrophobicContact CG2-CD 3.58Å; T328-K345 VanDerWaalsContact CG2-CE 3.48Å; T328-K345 HydrophobicContact CG2-CG 3.57Å; N343-K345 PolarHBondContact O-N 3.03Å; N343-K345 VanDerWaalsContact O-N 3.17Å; N343-K345 PolarHBondContact OD1-N 2.7Å; K345-K347 PolarHBondContact O-N 3.44Å
346	G	89	Confident	92.1	Very high	8 Å²	8	47.6 Å²	47.6	8%	0.082	24%	0.242	C	C	.	.			trans	-62.7	131.9	174.6	0	0	0	0	0	111.2	N343 R344 K352	N343-G346 PolarHBondContact O-N 3.42Å; R344-G346 VanDerWaalsContact C-N 3.29Å; R344-G346 PolarHBondContact O-N 3.3Å; G346-K352 VanDerWaalsContact O-CE 3.29Å; G346-K352 WeakPolarHBondContact O-CE 3.45Å; G346-K352 WeakPolarHBondContact O-CG 3.27Å
347	K	88.1	Confident	92.1	Very high	193 Å²	193	43.2 Å²	43.2	84%	0.839	22%	0.221	S	C	*	.	S	Bend	trans	-79.6	-36.6	-178.9	-66.4	-178.3	179.4	179.2	0	111.4	K345 E351	K345-K347 PolarHBondContact O-N 3.44Å; K347-E351 WeakPolarHBondContact CB-OE2 3.44Å; K347-E351 PolarHBondContact N-OE2 2.8Å
348	T	89.2	Confident	92.1	Very high	60 Å²	60	46.3 Å²	46.3	37%	0.368	24%	0.241	S	C	.	.	S	Bend	trans	-100.9	151.6	177.2	64	0	0	0	0	110.6	A350 E351 K352	T348-A350 PolarHBondContact O-N 3.07Å; T348-A350 VanDerWaalsContact O-N 3.17Å; T348-E351 PolarHBondContact N-OE2 2.96Å; T348-E351 WeakPolarHBondContact O-CB 3.16Å; T348-E351 PolarHBondContact O-N 3.08Å; T348-E351 WeakPolarHBondContact OG1-CB 3.29Å; T348-E351 VanDerWaalsContact OG1-CD 3.23Å; T348-E351 WeakPolarHBondContact OG1-CG 3.37Å; T348-E351 PolarHBondContact OG1-N 3.35Å; T348-E351 PolarHBondContact OG1-OE1 3.4Å; T348-K352 PolarHBondContact O-N 2.91Å
349	P	84.2	Confident	91.6	Very high	58 Å²	58	46.1 Å²	46.1	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-44.7	-42.7	168.6	-37.1	41.8	0	0	0	114.5	K307 Q309 E351 K352 I353	K307-P349 WeakPolarHBondContact O-CB 2.99Å; Q309-P349 HydrophobicContact CG-CB 3.67Å; Q309-P349 HydrophobicContact CG-CG 3.93Å; P349-E351 PolarHBondContact O-N 3.1Å; P349-K352 PolarHBondContact O-N 3.34Å; P349-I353 PolarHBondContact O-N 3.35Å
350	A	86	Confident	91.5	Very high	52 Å²	52	46.6 Å²	46.6	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-71.7	-26.9	179.7	0	0	0	0	0	113.8	K307 T348	K307-A350 HydrophobicContact CB-CB 4.34Å; K307-A350 HydrophobicContact CD-CB 4.25Å; T348-A350 PolarHBondContact O-N 3.07Å; T348-A350 VanDerWaalsContact O-N 3.17Å
351	E	89.8	Confident	91.2	Very high	95 Å²	95	53 Å²	53	44%	0.444	28%	0.283	S	S	.	.	H	α-helix	trans	-78.9	-30	171.1	-75.9	164.5	-151.9	0	0	112.4	K347 T348 P349 I353	K347-E351 WeakPolarHBondContact CB-OE2 3.44Å; K347-E351 PolarHBondContact N-OE2 2.8Å; T348-E351 PolarHBondContact N-OE2 2.96Å; T348-E351 WeakPolarHBondContact O-CB 3.16Å; T348-E351 PolarHBondContact O-N 3.08Å; T348-E351 WeakPolarHBondContact OG1-CB 3.29Å; T348-E351 VanDerWaalsContact OG1-CD 3.23Å; T348-E351 WeakPolarHBondContact OG1-CG 3.37Å; T348-E351 PolarHBondContact OG1-N 3.35Å; T348-E351 PolarHBondContact OG1-OE1 3.4Å; P349-E351 PolarHBondContact O-N 3.1Å; E351-I353 VanDerWaalsContact C-N 3.34Å
352	K	92.2	Very high	91.1	Very high	35 Å²	35	54.1 Å²	54.1	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-35.3	175.2	-70.6	-168.1	179.2	-178.5	0	111.7	E299 L301 C342 N343 G346 T348 P349	E299-K352 WeakPolarHBondContact OE1-CE 2.87Å; E299-K352 IonicContact OE1-NZ 3.63Å; E299-K352 PolarHBondContact OE1-NZ 2.88Å; L301-K352 HydrophobicContact CD1-CB 3.87Å; L301-K352 HydrophobicContact CD1-CD 3.67Å; L301-K352 HydrophobicContact CD1-CG 4.44Å; C342-K352 CarbonylContact C-O 3.59Å; C342-K352 WeakPolarHBondContact CA-O 3.36Å; C342-K352 VanDerWaalsContact CB-O 3.29Å; C342-K352 WeakPolarHBondContact CB-O 3.07Å; N343-K352 PolarHBondContact N-O 2.81Å; N343-K352 WeakPolarHBondContact O-CA 3.46Å; G346-K352 VanDerWaalsContact O-CE 3.29Å; G346-K352 WeakPolarHBondContact O-CE 3.45Å; G346-K352 WeakPolarHBondContact O-CG 3.27Å; T348-K352 PolarHBondContact O-N 2.91Å; P349-K352 PolarHBondContact O-N 3.34Å
353	I	92.7	Very high	91.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	95.1	173.4	-61.5	178.3	0	0	0	109.4	D304 K307 I340 P349 E351 I356	D304-I353 WeakPolarHBondContact O-CD1 3.01Å; K307-I353 HydrophobicContact CD-CB 4.35Å; K307-I353 HydrophobicContact CD-CG2 4.35Å; K307-I353 VanDerWaalsContact CE-O 3.27Å; K307-I353 WeakPolarHBondContact CE-O 2.79Å; K307-I353 HydrophobicContact CG-CB 4.12Å; K307-I353 HydrophobicContact CG-CG2 4.07Å; K307-I353 PolarHBondContact NZ-O 3.35Å; I340-I353 HydrophobicContact CG2-CG1 4.4Å; I340-I353 HydrophobicContact CG2-CG2 3.58Å; P349-I353 PolarHBondContact O-N 3.35Å; E351-I353 VanDerWaalsContact C-N 3.34Å; I353-I356 HydrophobicContact CG2-CG1 4.3Å
354	V	92.4	Very high	91.2	Very high	52 Å²	52	53.6 Å²	53.6	32%	0.315	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-52	-170.3	-179.1	0	0	0	0	111.7	S341 N343	S341-V354 PolarHBondContact O-N 3.2Å; N343-V354 HydrophobicContact CB-CG2 3.66Å
355	A	93.3	Very high	91.4	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.8	-174	0	0	0	0	0	111.4	S341 Y357	S341-A355 PolarHBondContact N-O 3.46Å; S341-A355 PolarHBondContact O-N 2.84Å; A355-Y357 HydrophobicContact CB-CE2 3.85Å
356	I	94.6	Very high	91.7	Very high	47 Å²	47	48.1 Å²	48.1	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.8	179.6	-61.5	172	0	0	0	105.9	P305 I338 I339 I353 P358	P305-I356 HydrophobicContact CB-CD1 4.06Å; P305-I356 WeakPolarHBondContact O-CD1 3.23Å; I338-I356 HydrophobicContact CG2-CG2 3.33Å; I339-I356 CarbonylContact O-C 3.44Å; I339-I356 WeakPolarHBondContact O-CA 3.19Å; I353-I356 HydrophobicContact CG2-CG1 4.3Å; I356-P358 WeakPolarHBondContact O-CD 3.26Å
357	Y	95.3	Very high	92.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	96.7	178.4	-50	-99.2	0	0	0	108	I339 A355 F377 W388 E390 I392 R393	I339-Y357 HydrophobicContact CB-CD2 4.28Å; I339-Y357 HydrophobicContact CG2-CD2 4.27Å; I339-Y357 PolarHBondContact N-O 2.85Å; I339-Y357 PolarHBondContact O-N 3.4Å; A355-Y357 HydrophobicContact CB-CE2 3.85Å; Y357-F377 HydrophobicContact CD1-CZ 4.08Å; Y357-F377 HydrophobicContact CD2-CZ 4.1Å; Y357-F377 HydrophobicContact CE1-CE1 4.33Å; Y357-F377 HydrophobicContact CE1-CZ 4.16Å; Y357-F377 HydrophobicContact CE2-CZ 4.17Å; Y357-F377 HydrophobicContact CG-CZ 4.08Å; Y357-W388 HydrophobicContact CD1-CE3 4.26Å; Y357-E390 WeakPolarHBondContact OH-CA 3.36Å; Y357-E390 PolarHBondContact OH-O 3Å; Y357-I392 WeakPolarHBondContact CD1-O 3.4Å; Y357-I392 VanDerWaalsContact CE1-O 3.26Å; Y357-I392 WeakPolarHBondContact CE1-O 3.11Å; Y357-R393 HydrophobicContact CD1-CB 4.39Å; Y357-R393 HydrophobicContact CE1-CB 4.36Å; Y357-R393 HydrophobicContact CE1-CG 4Å
358	P	92.6	Very high	92.5	Very high	66 Å²	66	41.6 Å²	41.6	43%	0.429	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	142.6	172.3	32.2	-32.4	0	0	0	109.8	I356 W388	I356-P358 WeakPolarHBondContact O-CD 3.26Å; P358-W388 WeakPolarHBondContact O-CH2 3.42Å
359	G	86.3	Confident	92.8	Very high	31 Å²	31	39.1 Å²	39.1	32%	0.32	23%	0.226	S	C	.	.			trans	171.4	-29.9	164.6	0	0	0	0	0	116.2	R386	G359-R386 VanDerWaalsContact O-CZ 3.28Å; G359-R386 PolarHBondContact O-NH1 3.28Å; G359-R386 PolarHBondContact O-NH2 2.95Å; G359-R386 VanDerWaalsContact O-NH2 3.12Å
360	H	93.4	Very high	93.4	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.056	21%	0.208	C	C	.	.			trans	-72.5	146.5	178.4	-83.4	-71.3	0	0	0	111.1	G337 I364 S379 D382 R386	G337-H360 PolarHBondContact O-N 2.9Å; H360-I364 HydrophobicContact CB-CD1 4.5Å; H360-I364 HydrophobicContact CB-CG1 4.01Å; H360-S379 PolarHBondContact CD2-OG 3.45Å; H360-S379 PolarHBondContact NE2-OG 3.19Å; H360-D382 WeakPolarHBondContact CA-OD2 3.47Å; H360-D382 IonicContact CE1-OD2 2.79Å; H360-D382 IonicContact CG-OD2 3.81Å; H360-D382 IonicContact ND1-OD1 3.42Å; H360-D382 IonicContact ND1-OD2 3.95Å; H360-D382 PolarHBondContact ND1-OD2 3.47Å; H360-R386 VanDerWaalsContact CE1-CD 3.49Å; H360-R386 WeakPolarHBondContact CE1-CD 3.26Å
361	I	91	Very high	93.7	Very high	133 Å²	133	36.7 Å²	36.7	68%	0.682	21%	0.205	S	C	*	.	S	Bend	trans	-104.5	77	179.9	-53	173.6	0	0	0	107.2	D382	I361-D382 PolarHBondContact N-OD2 2.91Å; I361-D382 WeakPolarHBondContact O-CB 3.34Å
362	G	92.1	Very high	93.9	Very high	25 Å²	25	35 Å²	35	26%	0.258	20%	0.197	S	C	.	.	S	Bend	trans	121.3	-171.4	-176.1	0	0	0	0	0	113.1	E335 G337	E335-G362 CarbonylContact O-C 3.4Å; G337-G362 WeakPolarHBondContact CA-O 3.45Å; G337-G362 PolarHBondContact N-O 3.44Å; G337-G362 VanDerWaalsContact N-O 3.14Å
363	P	94.6	Very high	94	Very high	36 Å²	36	34.8 Å²	34.8	23%	0.234	20%	0.196	C	C	.	.			trans	-64.9	142.7	-172.2	26.5	-35.9	0	0	0	112.7	Y318 E335 Y365 G381	Y318-P363 HydrophobicContact CD2-CB 4.01Å; Y318-P363 HydrophobicContact CE2-CB 4Å; E335-P363 HydrophobicContact CB-CB 4.48Å; E335-P363 WeakPolarHBondContact O-CA 3.44Å; P363-Y365 HydrophobicContact CB-CE1 4.18Å; P363-Y365 HydrophobicContact CG-CE1 3.93Å; P363-Y365 HydrophobicContact CG-CE2 4.11Å; P363-Y365 WeakPolarHBondContact CG-OH 3.45Å; P363-G381 VanDerWaalsContact O-CA 3.23Å; P363-G381 WeakPolarHBondContact O-CA 3.43Å
364	I	96.9	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110	173.4	-63.7	150.6	0	0	0	108	Y318 T334 G337 I338 I339 H360 A366 I380	Y318-I364 WeakPolarHBondContact CB-O 3.39Å; T334-I364 PolarHBondContact O-N 2.94Å; G337-I364 VanDerWaalsContact C-CD1 3.48Å; I338-I364 WeakPolarHBondContact O-CD1 3.34Å; I339-I364 HydrophobicContact CD1-CD1 4.38Å; I339-I364 HydrophobicContact CG1-CD1 3.47Å; I339-I364 VanDerWaalsContact CG1-CD1 3.47Å; H360-I364 HydrophobicContact CB-CD1 4.5Å; H360-I364 HydrophobicContact CB-CG1 4.01Å; I364-A366 WeakPolarHBondContact CG2-O 3.46Å; I364-I380 CarbonylContact C-O 3.52Å
365	Y	95.8	Very high	94.1	Very high	94 Å²	94	39.2 Å²	39.2	37%	0.369	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-31	-176.5	-59.3	-68.7	0	0	0	113.4	P363 I380 L407 S408	P363-Y365 HydrophobicContact CB-CE1 4.18Å; P363-Y365 HydrophobicContact CG-CE1 3.93Å; P363-Y365 HydrophobicContact CG-CE2 4.11Å; P363-Y365 WeakPolarHBondContact CG-OH 3.45Å; Y365-I380 PolarHBondContact N-O 3.2Å; Y365-L407 VanDerWaalsContact CD2-O 3.28Å; Y365-L407 WeakPolarHBondContact CD2-O 3.41Å; Y365-S408 WeakPolarHBondContact CB-O 3.27Å
366	A	96.7	Very high	94.2	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.3	177.8	0	0	0	0	0	112.5	I364 S379 I380 D409	I364-A366 WeakPolarHBondContact CG2-O 3.46Å; A366-S379 WeakPolarHBondContact O-CA 3.42Å; A366-I380 HydrophobicContact CB-CB 4.06Å; A366-I380 HydrophobicContact CB-CD1 4.34Å; A366-I380 PolarHBondContact N-O 3.22Å; A366-I380 VanDerWaalsContact N-O 3.13Å; A366-I380 PolarHBondContact O-N 3.13Å; A366-D409 WeakPolarHBondContact CB-OD1 3.25Å
367	L	96.8	Very high	94.3	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	126.9	177.8	-170.5	69.8	0	0	0	107.9	A319 E321 M331 I339 F377 L378	A319-L367 HydrophobicContact CB-CB 3.74Å; E321-L367 HydrophobicContact CB-CB 4.48Å; E321-L367 HydrophobicContact CB-CD2 4.22Å; E321-L367 HydrophobicContact CB-CG 4.15Å; M331-L367 HydrophobicContact CB-CD2 3.46Å; M331-L367 VanDerWaalsContact CB-CD2 3.46Å; I339-L367 HydrophobicContact CD1-CD1 3.93Å; I339-L367 HydrophobicContact CG1-CD1 4.36Å; I339-L367 HydrophobicContact CG2-CD1 4.13Å; I339-L367 HydrophobicContact CG2-CD2 3.93Å; L367-F377 HydrophobicContact CD1-CD2 3.74Å; L367-F377 HydrophobicContact CD1-CE2 4.2Å; L367-L378 WeakPolarHBondContact CA-O 3.09Å
368	Q	96.4	Very high	94.4	Very high	52 Å²	52	37.3 Å²	37.3	24%	0.243	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	135.7	177.5	-161.6	-174.4	5.3	0	0	111.7	E321 F377 L378 W412	E321-Q368 WeakPolarHBondContact OE1-CG 3.43Å; Q368-F377 CarbonylContact O-C 3.53Å; Q368-F377 WeakPolarHBondContact O-CA 3.48Å; Q368-L378 PolarHBondContact N-O 3.19Å; Q368-L378 PolarHBondContact O-N 2.9Å; Q368-W412 PolarHBondContact O-NE1 3.41Å
369	R	95.9	Very high	94.6	Very high	9 Å²	9	34.1 Å²	34.1	3%	0.034	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.6	171.4	-77.2	-177.7	173.1	89.5	0.2	109.8	E321 M331 P371 P374 F377 E390	E321-R369 HydrophobicContact CG-CB 4.26Å; E321-R369 HydrophobicContact CG-CG 3.96Å; E321-R369 PolarHBondContact O-NH1 3.09Å; E321-R369 PolarHBondContact OE1-N 3.32Å; M331-R369 VanDerWaalsContact CE-NH2 3.32Å; M331-R369 PolarHBondContact SD-NH2 2.87Å; M331-R369 VanDerWaalsContact SD-NH2 3.44Å; R369-P371 WeakPolarHBondContact O-CD 3.33Å; R369-P374 VanDerWaalsContact CD-O 3.26Å; R369-P374 WeakPolarHBondContact CD-O 3.1Å; R369-P374 PolarHBondContact NE-O 3.34Å; R369-F377 HydrophobicContact CG-CB 4.08Å; R369-E390 IonicContact CZ-OE1 2.86Å; R369-E390 IonicContact NE-OE1 3.72Å; R369-E390 PolarHBondContact NE-OE1 2.68Å; R369-E390 IonicContact NH2-OE1 3.67Å; R369-E390 PolarHBondContact NH2-OE1 3.13Å
370	N	95.9	Very high	95.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.			trans	-67.2	123.4	171	-173.7	-57	0	0	0	108.6	F372 F373 N376 W412 P417	N370-F372 PolarHBondContact O-N 3.14Å; N370-F372 VanDerWaalsContact O-N 3.11Å; N370-F372 PolarHBondContact OD1-N 3.15Å; N370-F373 HydrophobicContact CB-CB 4.23Å; N370-F373 CarbonylContact O-C 3.53Å; N370-F373 PolarHBondContact O-N 2.83Å; N370-F373 VanDerWaalsContact O-N 3.13Å; N370-F373 PolarHBondContact OD1-N 2.76Å; N370-N376 WeakPolarHBondContact CB-O 3.34Å; N370-N376 PolarHBondContact N-O 3.21Å; N370-W412 HydrophobicContact CB-CD2 4.3Å; N370-W412 HydrophobicContact CB-CG 4.48Å; N370-P417 PolarHBondContact ND2-O 3.18Å
371	P	93.4	Very high	95.1	Very high	58 Å²	58	32.1 Å²	32.1	38%	0.377	17%	0.166	S	C	.	.	S	Bend	trans	-57.4	-29.3	-176.5	-28.1	36.5	0	0	0	114.2	R369 W412	R369-P371 WeakPolarHBondContact O-CD 3.33Å; P371-W412 HydrophobicContact CG-CB 4.36Å
372	F	93.9	Very high	95	Very high	60 Å²	60	26.2 Å²	26.2	26%	0.263	14%	0.136	S	C	.	.	S	Bend	trans	-93.2	-26.4	-179.6	-62	-87.2	0	0	0	113.2	N370 P414 I415 P417	N370-F372 PolarHBondContact O-N 3.14Å; N370-F372 VanDerWaalsContact O-N 3.11Å; N370-F372 PolarHBondContact OD1-N 3.15Å; F372-P414 VanDerWaalsContact CE2-O 3.3Å; F372-P414 WeakPolarHBondContact CE2-O 3.37Å; F372-P414 WeakPolarHBondContact CZ-O 3.35Å; F372-I415 VanDerWaalsContact CE2-O 3.29Å; F372-I415 WeakPolarHBondContact CE2-O 3.3Å; F372-I415 WeakPolarHBondContact CZ-O 3.47Å; F372-P417 HydrophobicContact CB-CB 4.04Å; F372-P417 HydrophobicContact CD2-CB 3.65Å; F372-P417 HydrophobicContact CD2-CG 4.37Å; F372-P417 HydrophobicContact CE2-CB 4.36Å; F372-P417 HydrophobicContact CG-CB 3.93Å
373	F	94.5	Very high	95.1	Very high	31 Å²	31	30.5 Å²	30.5	14%	0.136	14%	0.144	C	C	.	.			trans	-129.2	76.6	-177	-58.8	-76.6	0	0	0	110.2	N370 K375 N376 P417 K490 V493 T494 F497	N370-F373 HydrophobicContact CB-CB 4.23Å; N370-F373 CarbonylContact O-C 3.53Å; N370-F373 PolarHBondContact O-N 2.83Å; N370-F373 VanDerWaalsContact O-N 3.13Å; N370-F373 PolarHBondContact OD1-N 2.76Å; F373-K375 PolarHBondContact O-N 2.79Å; F373-N376 HydrophobicContact CB-CB 4.49Å; F373-N376 PolarHBondContact O-N 2.67Å; F373-P417 HydrophobicContact CD2-CB 4.29Å; F373-P417 HydrophobicContact CE2-CB 3.84Å; F373-K490 HydrophobicContact CZ-CG 3.9Å; F373-V493 HydrophobicContact CD2-CG1 3.95Å; F373-V493 HydrophobicContact CE2-CB 3.89Å; F373-V493 HydrophobicContact CE2-CG1 3.45Å; F373-V493 VanDerWaalsContact CE2-CG1 3.45Å; F373-V493 HydrophobicContact CZ-CB 4.29Å; F373-V493 HydrophobicContact CZ-CG1 4.16Å; F373-T494 WeakPolarHBondContact CE1-OG1 3.25Å; F373-T494 VanDerWaalsContact CZ-OG1 3.25Å; F373-T494 WeakPolarHBondContact CZ-OG1 3.42Å; F373-F497 HydrophobicContact CB-CD2 4.45Å; F373-F497 HydrophobicContact CB-CE2 4.35Å; F373-F497 HydrophobicContact CD2-CD2 4.11Å; F373-F497 AromaticContact CD2-CE2 3.85Å; F373-F497 HydrophobicContact CD2-CE2 3.85Å; F373-F497 HydrophobicContact CE2-CE2 4.45Å; F373-F497 HydrophobicContact CG-CD2 4.19Å; F373-F497 HydrophobicContact CG-CE2 4.24Å
374	P	93	Very high	95.1	Very high	35 Å²	35	28.9 Å²	28.9	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.4	-172.3	-26.7	35.2	0	0	0	115.3	E323 R369 N376	E323-P374 HydrophobicContact CG-CB 4.45Å; R369-P374 VanDerWaalsContact CD-O 3.26Å; R369-P374 WeakPolarHBondContact CD-O 3.1Å; R369-P374 PolarHBondContact NE-O 3.34Å; P374-N376 VanDerWaalsContact C-N 3.26Å; P374-N376 PolarHBondContact O-N 2.92Å
375	K	93.8	Very high	95.1	Very high	110 Å²	110	28.9 Å²	28.9	48%	0.478	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.4	172.9	-73.2	-172.3	161.4	-150.4	0	113.6	F373 E390 D391	F373-K375 PolarHBondContact O-N 2.79Å; K375-E390 WeakPolarHBondContact O-CB 3.24Å; K375-E390 WeakPolarHBondContact O-CG 3.45Å; K375-E390 PolarHBondContact O-N 3.22Å; K375-D391 IonicContact NZ-OD1 3.89Å; K375-D391 PolarHBondContact NZ-OD1 2.8Å; K375-D391 IonicContact NZ-OD2 2.91Å; K375-D391 PolarHBondContact NZ-OD2 3.48Å
376	N	95.7	Very high	95.1	Very high	12 Å²	12	26 Å²	26	6%	0.064	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.8	-179.1	-57.8	-37	0	0	0	109	N370 F373 P374 W388 S389 F497	N370-N376 WeakPolarHBondContact CB-O 3.34Å; N370-N376 PolarHBondContact N-O 3.21Å; F373-N376 HydrophobicContact CB-CB 4.49Å; F373-N376 PolarHBondContact O-N 2.67Å; P374-N376 VanDerWaalsContact C-N 3.26Å; P374-N376 PolarHBondContact O-N 2.92Å; N376-W388 CarbonylContact C-O 3.58Å; N376-W388 WeakPolarHBondContact CA-O 3.36Å; N376-S389 WeakPolarHBondContact OD1-CB 3.5Å; N376-S389 PolarHBondContact OD1-OG 2.83Å; N376-F497 HydrophobicContact CB-CD2 4.49Å; N376-F497 HydrophobicContact CB-CE2 4.29Å; N376-F497 WeakPolarHBondContact ND2-CD2 3.5Å; N376-F497 WeakPolarHBondContact ND2-CG 3.44Å
377	F	96.9	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.7	-176.9	60.6	-88	0	0	0	110.8	M331 I339 Y357 L367 Q368 R369 I387 W388 E390	M331-F377 HydrophobicContact CE-CD1 3.49Å; M331-F377 VanDerWaalsContact CE-CD1 3.49Å; M331-F377 HydrophobicContact CE-CE1 3.46Å; M331-F377 VanDerWaalsContact CE-CE1 3.46Å; M331-F377 HydrophobicContact CE-CG 4.12Å; M331-F377 HydrophobicContact CE-CZ 4.05Å; M331-F377 HydrophobicContact SD-CB 4.46Å; M331-F377 HydrophobicContact SD-CD1 3.98Å; M331-F377 HydrophobicContact SD-CD2 4.25Å; M331-F377 HydrophobicContact SD-CE1 4.24Å; M331-F377 HydrophobicContact SD-CE2 4.48Å; M331-F377 HydrophobicContact SD-CG 3.97Å; M331-F377 HydrophobicContact SD-CZ 4.46Å; I339-F377 HydrophobicContact CD1-CE2 3.74Å; I339-F377 HydrophobicContact CG2-CE2 4.3Å; Y357-F377 HydrophobicContact CD1-CZ 4.08Å; Y357-F377 HydrophobicContact CD2-CZ 4.1Å; Y357-F377 HydrophobicContact CE1-CE1 4.33Å; Y357-F377 HydrophobicContact CE1-CZ 4.16Å; Y357-F377 HydrophobicContact CE2-CZ 4.17Å; Y357-F377 HydrophobicContact CG-CZ 4.08Å; L367-F377 HydrophobicContact CD1-CD2 3.74Å; L367-F377 HydrophobicContact CD1-CE2 4.2Å; Q368-F377 CarbonylContact O-C 3.53Å; Q368-F377 WeakPolarHBondContact O-CA 3.48Å; R369-F377 HydrophobicContact CG-CB 4.08Å; F377-I387 WeakPolarHBondContact O-CA 3.33Å; F377-W388 HydrophobicContact CD1-CB 4.01Å; F377-W388 HydrophobicContact CD2-CB 3.85Å; F377-W388 AromaticContact CD2-CD1 3.89Å; F377-W388 HydrophobicContact CD2-CG 4.09Å; F377-W388 HydrophobicContact CE1-CB 3.55Å; F377-W388 HydrophobicContact CE1-CG 4.45Å; F377-W388 HydrophobicContact CE2-CB 3.37Å; F377-W388 AromaticContact CE2-CD1 3.5Å; F377-W388 HydrophobicContact CE2-CD2 4.27Å; F377-W388 AromaticContact CE2-CG 3.43Å; F377-W388 HydrophobicContact CE2-CG 3.43Å; F377-W388 VanDerWaalsContact CE2-CG 3.43Å; F377-W388 HydrophobicContact CG-CB 4.16Å; F377-W388 HydrophobicContact CZ-CB 3.21Å; F377-W388 HydrophobicContact CZ-CD2 4.37Å; F377-W388 AromaticContact CZ-CG 3.67Å; F377-W388 HydrophobicContact CZ-CG 3.67Å; F377-W388 PolarHBondContact N-O 3.5Å; F377-W388 PolarHBondContact O-N 2.79Å; F377-E390 HydrophobicContact CD1-CG 3.98Å; F377-E390 HydrophobicContact CE1-CG 3.88Å
378	L	97.2	Very high	95.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.5	174.7	175.3	69.3	0	0	0	107.9	L367 Q368 I380 A385 R386 I387 W412 F420	L367-L378 WeakPolarHBondContact CA-O 3.09Å; Q368-L378 PolarHBondContact N-O 3.19Å; Q368-L378 PolarHBondContact O-N 2.9Å; L378-I380 HydrophobicContact CD1-CG1 4.45Å; L378-I380 HydrophobicContact CD2-CD1 4.05Å; L378-I380 HydrophobicContact CG-CD1 4.3Å; L378-I380 HydrophobicContact CG-CG1 4.25Å; L378-A385 HydrophobicContact CD1-CB 4.19Å; L378-R386 WeakPolarHBondContact CA-O 3.2Å; L378-I387 HydrophobicContact CD1-CG1 4.15Å; L378-W412 HydrophobicContact CB-CZ2 3.99Å; L378-F420 HydrophobicContact CD1-CD2 4.29Å; L378-F420 HydrophobicContact CD1-CE2 4.44Å; L378-F420 HydrophobicContact CD2-CB 3.95Å; L378-F420 HydrophobicContact CD2-CD2 3.98Å; L378-F420 HydrophobicContact CD2-CG 4.16Å
379	S	97.4	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.4	165.6	65.6	0	0	0	0	109.9	H360 A366 R386 W388	H360-S379 PolarHBondContact CD2-OG 3.45Å; H360-S379 PolarHBondContact NE2-OG 3.19Å; A366-S379 WeakPolarHBondContact O-CA 3.42Å; S379-R386 PolarHBondContact N-O 3.14Å; S379-R386 PolarHBondContact O-N 3.26Å; S379-W388 PolarHBondContact OG-NE1 3.17Å
380	I	96.6	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.8	177.5	-67.5	165.3	0	0	0	106.8	I364 Y365 A366 L378 A385 L407 T422	I364-I380 CarbonylContact C-O 3.52Å; Y365-I380 PolarHBondContact N-O 3.2Å; A366-I380 HydrophobicContact CB-CB 4.06Å; A366-I380 HydrophobicContact CB-CD1 4.34Å; A366-I380 PolarHBondContact N-O 3.22Å; A366-I380 VanDerWaalsContact N-O 3.13Å; A366-I380 PolarHBondContact O-N 3.13Å; L378-I380 HydrophobicContact CD1-CG1 4.45Å; L378-I380 HydrophobicContact CD2-CD1 4.05Å; L378-I380 HydrophobicContact CG-CD1 4.3Å; L378-I380 HydrophobicContact CG-CG1 4.25Å; I380-A385 HydrophobicContact CG1-CB 4.04Å; I380-L407 HydrophobicContact CG2-CB 3.4Å; I380-L407 VanDerWaalsContact CG2-CB 3.4Å; I380-L407 HydrophobicContact CG2-CD1 3.91Å; I380-L407 HydrophobicContact CG2-CG 4.33Å; I380-T422 HydrophobicContact CD1-CG2 4Å
381	G	93.1	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	175.8	174.6	0	0	0	0	0	107.5	P363 W383 T384	P363-G381 VanDerWaalsContact O-CA 3.23Å; P363-G381 WeakPolarHBondContact O-CA 3.43Å; G381-W383 PolarHBondContact O-N 3.12Å; G381-W383 VanDerWaalsContact O-N 3.12Å; G381-T384 PolarHBondContact O-N 3.01Å
382	D	89.1	Confident	94.8	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.048	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-117.3	175.4	63.5	45.7	0	0	0	113.5	H360 I361 T384 R386 S406 L407	H360-D382 WeakPolarHBondContact CA-OD2 3.47Å; H360-D382 IonicContact CE1-OD2 2.79Å; H360-D382 IonicContact CG-OD2 3.81Å; H360-D382 IonicContact ND1-OD1 3.42Å; H360-D382 IonicContact ND1-OD2 3.95Å; H360-D382 PolarHBondContact ND1-OD2 3.47Å; I361-D382 PolarHBondContact N-OD2 2.91Å; I361-D382 WeakPolarHBondContact O-CB 3.34Å; D382-T384 WeakPolarHBondContact OD1-CB 3.23Å; D382-T384 PolarHBondContact OD1-N 3.48Å; D382-T384 PolarHBondContact OD1-OG1 3.37Å; D382-R386 IonicContact OD2-NH2 3.25Å; D382-R386 PolarHBondContact OD2-NH2 3.07Å; D382-S406 WeakPolarHBondContact O-CA 3.39Å; D382-S406 VanDerWaalsContact O-CB 3.28Å; D382-S406 WeakPolarHBondContact O-CB 3.29Å; D382-L407 PolarHBondContact O-N 2.59Å
383	W	93.4	Very high	94.6	Very high	115 Å²	115	29 Å²	29	44%	0.436	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	13.8	176.4	-60.1	-99.2	0	0	0	111.7	G381 H403 S406	G381-W383 PolarHBondContact O-N 3.12Å; G381-W383 VanDerWaalsContact O-N 3.12Å; W383-H403 PolarHBondContact O-CD2 3.37Å; W383-H403 VanDerWaalsContact O-CD2 3.25Å; W383-H403 PolarHBondContact O-N 3.24Å; W383-H403 VanDerWaalsContact O-N 3.09Å; W383-S406 PolarHBondContact NE1-OG 2.68Å
384	T	95.3	Very high	94.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.5	-171.2	65.7	0	0	0	0	112.4	G381 D382 R386 N402	G381-T384 PolarHBondContact O-N 3.01Å; D382-T384 WeakPolarHBondContact OD1-CB 3.23Å; D382-T384 PolarHBondContact OD1-N 3.48Å; D382-T384 PolarHBondContact OD1-OG1 3.37Å; T384-R386 PolarHBondContact OG1-NE 2.96Å; T384-N402 WeakPolarHBondContact CG2-OD1 3.43Å
385	A	96.5	Very high	94.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.5	166.6	0	0	0	0	0	107.9	L378 I380 W399 T400 L407 F420 T422	L378-A385 HydrophobicContact CD1-CB 4.19Å; I380-A385 HydrophobicContact CG1-CB 4.04Å; A385-W399 CarbonylContact O-C 3.47Å; A385-W399 VanDerWaalsContact O-CA 3.28Å; A385-W399 WeakPolarHBondContact O-CA 3.32Å; A385-T400 HydrophobicContact CB-CG2 3.86Å; A385-T400 PolarHBondContact N-OG1 3.08Å; A385-T400 PolarHBondContact O-N 3.34Å; A385-L407 HydrophobicContact CB-CD1 3.86Å; A385-F420 HydrophobicContact CB-CE2 4.04Å; A385-T422 HydrophobicContact CB-CG2 3.89Å
386	R	96.5	Very high	94.4	Very high	32 Å²	32	26.3 Å²	26.3	12%	0.121	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.6	-174.4	-57.8	-172.5	-175.2	-175.9	12.1	110.5	G359 H360 L378 S379 D382 T384 W388 P396 W399	G359-R386 VanDerWaalsContact O-CZ 3.28Å; G359-R386 PolarHBondContact O-NH1 3.28Å; G359-R386 PolarHBondContact O-NH2 2.95Å; G359-R386 VanDerWaalsContact O-NH2 3.12Å; H360-R386 VanDerWaalsContact CE1-CD 3.49Å; H360-R386 WeakPolarHBondContact CE1-CD 3.26Å; L378-R386 WeakPolarHBondContact CA-O 3.2Å; S379-R386 PolarHBondContact N-O 3.14Å; S379-R386 PolarHBondContact O-N 3.26Å; D382-R386 IonicContact OD2-NH2 3.25Å; D382-R386 PolarHBondContact OD2-NH2 3.07Å; T384-R386 PolarHBondContact OG1-NE 2.96Å; R386-W388 HydrophobicContact CB-CZ2 4.4Å; R386-P396 HydrophobicContact CB-CB 4.13Å; R386-W399 HydrophobicContact CB-CB 4.29Å; R386-W399 HydrophobicContact CG-CB 3.79Å
387	I	97	Very high	94.4	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	174	-55.1	169	0	0	0	107.2	F377 L378 P396 I397 M398 W412 F420 I434 F497	F377-I387 WeakPolarHBondContact O-CA 3.33Å; L378-I387 HydrophobicContact CD1-CG1 4.15Å; I387-P396 CarbonylContact O-C 3.56Å; I387-P396 WeakPolarHBondContact O-CB 3.49Å; I387-I397 HydrophobicContact CB-CG1 4.34Å; I387-I397 HydrophobicContact CG2-CD1 3.99Å; I387-I397 HydrophobicContact CG2-CG1 4.01Å; I387-I397 WeakPolarHBondContact O-CG1 3.37Å; I387-I397 PolarHBondContact O-N 3.47Å; I387-M398 HydrophobicContact CB-CB 4.26Å; I387-M398 HydrophobicContact CD1-CB 4.3Å; I387-M398 PolarHBondContact N-O 2.95Å; I387-M398 PolarHBondContact O-N 3.17Å; I387-W412 HydrophobicContact CD1-CH2 3.78Å; I387-W412 HydrophobicContact CD1-CZ2 4.16Å; I387-W412 HydrophobicContact CG1-CH2 4.18Å; I387-W412 HydrophobicContact CG1-CZ2 4.04Å; I387-W412 HydrophobicContact CG2-CZ2 4.24Å; I387-F420 HydrophobicContact CD1-CE1 4.18Å; I387-I434 HydrophobicContact CD1-CG2 4.15Å; I387-F497 HydrophobicContact CG2-CE1 4.08Å; I387-F497 HydrophobicContact CG2-CZ 4.43Å
388	W	96.6	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.9	-178.2	-58.4	82.1	0	0	0	110.2	Y357 P358 N376 F377 S379 R386 S395 P396	Y357-W388 HydrophobicContact CD1-CE3 4.26Å; P358-W388 WeakPolarHBondContact O-CH2 3.42Å; N376-W388 CarbonylContact C-O 3.58Å; N376-W388 WeakPolarHBondContact CA-O 3.36Å; F377-W388 HydrophobicContact CD1-CB 4.01Å; F377-W388 HydrophobicContact CD2-CB 3.85Å; F377-W388 AromaticContact CD2-CD1 3.89Å; F377-W388 HydrophobicContact CD2-CG 4.09Å; F377-W388 HydrophobicContact CE1-CB 3.55Å; F377-W388 HydrophobicContact CE1-CG 4.45Å; F377-W388 HydrophobicContact CE2-CB 3.37Å; F377-W388 AromaticContact CE2-CD1 3.5Å; F377-W388 HydrophobicContact CE2-CD2 4.27Å; F377-W388 AromaticContact CE2-CG 3.43Å; F377-W388 HydrophobicContact CE2-CG 3.43Å; F377-W388 VanDerWaalsContact CE2-CG 3.43Å; F377-W388 HydrophobicContact CG-CB 4.16Å; F377-W388 HydrophobicContact CZ-CB 3.21Å; F377-W388 HydrophobicContact CZ-CD2 4.37Å; F377-W388 AromaticContact CZ-CG 3.67Å; F377-W388 HydrophobicContact CZ-CG 3.67Å; F377-W388 PolarHBondContact N-O 3.5Å; F377-W388 PolarHBondContact O-N 2.79Å; S379-W388 PolarHBondContact OG-NE1 3.17Å; R386-W388 HydrophobicContact CB-CZ2 4.4Å; W388-S395 VanDerWaalsContact CZ3-C 3.45Å; W388-P396 HydrophobicContact CD2-CB 3.78Å; W388-P396 HydrophobicContact CE3-CB 3.95Å; W388-P396 HydrophobicContact CG-CB 4.32Å; W388-P396 HydrophobicContact CH2-CB 4.26Å; W388-P396 HydrophobicContact CH2-CG 4.31Å; W388-P396 HydrophobicContact CZ2-CB 4.1Å; W388-P396 HydrophobicContact CZ2-CG 4.38Å; W388-P396 HydrophobicContact CZ3-CB 4.18Å; W388-P396 HydrophobicContact CZ3-CG 4.47Å; W388-P396 VanDerWaalsContact CZ3-N 3.34Å
389	S	95.7	Very high	94.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.6	165.1	-171.6	0	0	0	0	108.6	N376 D391 I392	N376-S389 WeakPolarHBondContact OD1-CB 3.5Å; N376-S389 PolarHBondContact OD1-OG 2.83Å; S389-D391 PolarHBondContact O-N 3.21Å; S389-I392 PolarHBondContact O-N 3.28Å
390	E	93.6	Very high	94	Very high	22 Å²	22	34.8 Å²	34.8	10%	0.103	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.5	175.4	-74.9	-174.2	161.9	0	0	113.2	K329 M331 Y357 R369 K375 F377 I392	K329-E390 WeakPolarHBondContact CE-OE1 3.36Å; K329-E390 IonicContact NZ-OE1 3.91Å; K329-E390 PolarHBondContact NZ-OE1 3.13Å; K329-E390 IonicContact NZ-OE2 3.23Å; K329-E390 PolarHBondContact NZ-OE2 3.31Å; M331-E390 HydrophobicContact CE-CG 3.43Å; M331-E390 VanDerWaalsContact CE-CG 3.43Å; M331-E390 WeakPolarHBondContact CE-OE1 3.29Å; Y357-E390 WeakPolarHBondContact OH-CA 3.36Å; Y357-E390 PolarHBondContact OH-O 3Å; R369-E390 IonicContact CZ-OE1 2.86Å; R369-E390 IonicContact NE-OE1 3.72Å; R369-E390 PolarHBondContact NE-OE1 2.68Å; R369-E390 IonicContact NH2-OE1 3.67Å; R369-E390 PolarHBondContact NH2-OE1 3.13Å; K375-E390 WeakPolarHBondContact O-CB 3.24Å; K375-E390 WeakPolarHBondContact O-CG 3.45Å; K375-E390 PolarHBondContact O-N 3.22Å; F377-E390 HydrophobicContact CD1-CG 3.98Å; F377-E390 HydrophobicContact CE1-CG 3.88Å; E390-I392 VanDerWaalsContact C-N 3.31Å
391	D	92.2	Very high	93.8	Very high	97 Å²	97	37.7 Å²	37.7	52%	0.519	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.9	177.2	-67.8	-33.6	0	0	0	112.2	K375 S389 T501	K375-D391 IonicContact NZ-OD1 3.89Å; K375-D391 PolarHBondContact NZ-OD1 2.8Å; K375-D391 IonicContact NZ-OD2 2.91Å; K375-D391 PolarHBondContact NZ-OD2 3.48Å; S389-D391 PolarHBondContact O-N 3.21Å; D391-T501 HydrophobicContact CB-CG2 4.47Å
392	I	92.7	Very high	93.7	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	21%	0.211	C	C	.	.			trans	-121.3	123.8	-179.6	-59.7	156.2	0	0	0	110.1	Y357 S389 E390 S395 I397 T501 E504	Y357-I392 WeakPolarHBondContact CD1-O 3.4Å; Y357-I392 VanDerWaalsContact CE1-O 3.26Å; Y357-I392 WeakPolarHBondContact CE1-O 3.11Å; S389-I392 PolarHBondContact O-N 3.28Å; E390-I392 VanDerWaalsContact C-N 3.31Å; I392-S395 WeakPolarHBondContact CG2-O 3.42Å; I392-I397 HydrophobicContact CD1-CG2 3.56Å; I392-T501 HydrophobicContact CD1-CG2 3.68Å; I392-T501 HydrophobicContact CG1-CG2 4.22Å; I392-E504 HydrophobicContact CD1-CB 3.46Å; I392-E504 VanDerWaalsContact CD1-CB 3.46Å; I392-E504 HydrophobicContact CD1-CG 4.33Å; I392-E504 HydrophobicContact CG1-CB 4.39Å; I392-E504 HydrophobicContact CG2-CB 4.43Å
393	R	90.4	Very high	93.7	Very high	131 Å²	131	44.6 Å²	44.6	49%	0.494	21%	0.214	S	C	.	.	S	Bend	trans	-103.1	-23.8	-172.9	-59.4	177.9	-172	177.6	1.3	114.3	Y357	Y357-R393 HydrophobicContact CD1-CB 4.39Å; Y357-R393 HydrophobicContact CE1-CB 4.36Å; Y357-R393 HydrophobicContact CE1-CG 4Å
394	E	88.5	Confident	93.6	Very high	82 Å²	82	46.1 Å²	46.1	38%	0.383	23%	0.23	S	C	.	.	S	Bend	trans	-87.7	-29	-172.3	-62.7	-170	179.8	0	0	113.1	E508	E394-E508 HydrophobicContact CG-CG 4.42Å
395	S	93	Very high	93.5	Very high	25 Å²	25	50.5 Å²	50.5	18%	0.175	25%	0.25	C	S	.	.	S	Bend	trans	-143.6	150.4	-173.8	52.7	0	0	0	0	112.8	W388 I392 E504	W388-S395 VanDerWaalsContact CZ3-C 3.45Å; I392-S395 WeakPolarHBondContact CG2-O 3.42Å; S395-E504 WeakPolarHBondContact CB-OE2 3.35Å; S395-E504 PolarHBondContact OG-OE2 3.36Å
396	P	95.2	Very high	93.4	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.091	26%	0.258	C	S	.	.			trans	-71.1	151.8	166.7	31.6	-34.9	0	0	0	110.5	R386 I387 W388 W399	R386-P396 HydrophobicContact CB-CB 4.13Å; I387-P396 CarbonylContact O-C 3.56Å; I387-P396 WeakPolarHBondContact O-CB 3.49Å; W388-P396 HydrophobicContact CD2-CB 3.78Å; W388-P396 HydrophobicContact CE3-CB 3.95Å; W388-P396 HydrophobicContact CG-CB 4.32Å; W388-P396 HydrophobicContact CH2-CB 4.26Å; W388-P396 HydrophobicContact CH2-CG 4.31Å; W388-P396 HydrophobicContact CZ2-CB 4.1Å; W388-P396 HydrophobicContact CZ2-CG 4.38Å; W388-P396 HydrophobicContact CZ3-CB 4.18Å; W388-P396 HydrophobicContact CZ3-CG 4.47Å; W388-P396 VanDerWaalsContact CZ3-N 3.34Å; P396-W399 HydrophobicContact CB-CE3 4.49Å; P396-W399 HydrophobicContact CG-CE3 3.83Å; P396-W399 HydrophobicContact CG-CZ3 4.36Å
397	I	95	Very high	93.4	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.253	C	S	.	.	S	Bend	trans	-79.5	-30.1	177.3	57.5	168	0	0	0	112.4	I387 I392 F497 E500 E504	I387-I397 HydrophobicContact CB-CG1 4.34Å; I387-I397 HydrophobicContact CG2-CD1 3.99Å; I387-I397 HydrophobicContact CG2-CG1 4.01Å; I387-I397 WeakPolarHBondContact O-CG1 3.37Å; I387-I397 PolarHBondContact O-N 3.47Å; I392-I397 HydrophobicContact CD1-CG2 3.56Å; I397-F497 HydrophobicContact CD1-CD1 3.73Å; I397-F497 HydrophobicContact CD1-CE1 4.22Å; I397-F497 HydrophobicContact CD1-CG 4.41Å; I397-E500 HydrophobicContact CB-CB 4.03Å; I397-E504 HydrophobicContact CG2-CG 4.4Å
398	M	94.3	Very high	93.3	Very high	30 Å²	30	50.5 Å²	50.5	15%	0.148	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.1	178.2	-63.4	178.3	59.9	0	0	109.2	I387 I434 Q438 M496 E500	I387-M398 HydrophobicContact CB-CB 4.26Å; I387-M398 HydrophobicContact CD1-CB 4.3Å; I387-M398 PolarHBondContact N-O 2.95Å; I387-M398 PolarHBondContact O-N 3.17Å; M398-I434 HydrophobicContact CE-CB 4.29Å; M398-I434 HydrophobicContact CE-CG2 4.43Å; M398-Q438 HydrophobicContact CE-CG 4.37Å; M398-M496 HydrophobicContact CE-SD 4.14Å; M398-M496 HydrophobicContact SD-CG 4.3Å; M398-M496 HydrophobicContact SD-SD 3.96Å; M398-E500 HydrophobicContact CG-CG 4.03Å; M398-E500 HydrophobicContact SD-CG 4.27Å
399	W	94.4	Very high	93.3	Very high	151 Å²	151	51.3 Å²	51.3	57%	0.572	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.3	173.1	61.2	98.7	0	0	0	111.3	A385 R386 P396	A385-W399 CarbonylContact O-C 3.47Å; A385-W399 VanDerWaalsContact O-CA 3.28Å; A385-W399 WeakPolarHBondContact O-CA 3.32Å; R386-W399 HydrophobicContact CB-CB 4.29Å; R386-W399 HydrophobicContact CG-CB 3.79Å; P396-W399 HydrophobicContact CB-CE3 4.49Å; P396-W399 HydrophobicContact CG-CE3 3.83Å; P396-W399 HydrophobicContact CG-CZ3 4.36Å
400	T	94.3	Very high	93.3	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.037	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-77.3	161.7	174.9	63.3	0	0	0	0	111.2	A385 F420 W432	A385-T400 HydrophobicContact CB-CG2 3.86Å; A385-T400 PolarHBondContact N-OG1 3.08Å; A385-T400 PolarHBondContact O-N 3.34Å; T400-F420 HydrophobicContact CG2-CE2 4.4Å; T400-F420 HydrophobicContact CG2-CZ 4.02Å; T400-W432 HydrophobicContact CG2-CD2 4.13Å; T400-W432 HydrophobicContact CG2-CE3 4.17Å; T400-W432 HydrophobicContact CG2-CH2 3.59Å; T400-W432 HydrophobicContact CG2-CZ2 3.53Å; T400-W432 HydrophobicContact CG2-CZ3 3.92Å
401	A	92.5	Very high	93.4	Very high	61 Å²	61	50.8 Å²	50.8	50%	0.504	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-61.7	158.2	167.4	0	0	0	0	0	111	H403	A401-H403 PolarHBondContact O-N 3.29Å
402	N	91	Very high	93.7	Very high	130 Å²	130	46.3 Å²	46.3	70%	0.695	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-62.3	125.9	172.8	-67.8	-8.7	0	0	0	109.5	T384	T384-N402 WeakPolarHBondContact CG2-OD1 3.43Å
403	H	90.8	Very high	93.9	Very high	24 Å²	24	46.1 Å²	46.1	11%	0.111	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-83.3	153.2	175.7	-70	-67.7	0	0	0	112	W383 A401 H405 L407 R424 W432	W383-H403 PolarHBondContact O-CD2 3.37Å; W383-H403 VanDerWaalsContact O-CD2 3.25Å; W383-H403 PolarHBondContact O-N 3.24Å; W383-H403 VanDerWaalsContact O-N 3.09Å; A401-H403 PolarHBondContact O-N 3.29Å; H403-H405 WeakPolarHBondContact CB-O 3.44Å; H403-H405 PolarHBondContact O-N 2.85Å; H403-L407 HydrophobicContact CB-CD2 4.42Å; H403-R424 PolarHBondContact CE1-NH2 2.93Å; H403-R424 PolarHBondContact ND1-NH2 2.92Å; H403-W432 AromaticContact CE1-CZ2 3.58Å; H403-W432 AromaticContact NE2-CZ2 3.6Å
404	D	91.1	Very high	94	Very high	147 Å²	147	41.9 Å²	41.9	79%	0.786	22%	0.223	S	C	*	.	S	Bend	trans	-64.6	-31.3	177.8	-56.2	-39.2	0	0	0	112
405	H	93.1	Very high	94.3	Very high	93 Å²	93	40.2 Å²	40.2	43%	0.431	22%	0.216	S	C	.	.	S	Bend	trans	-121.2	147.7	176.8	-62.9	-76.1	0	0	0	110.4	H403 D426	H403-H405 WeakPolarHBondContact CB-O 3.44Å; H403-H405 PolarHBondContact O-N 2.85Å; H405-D426 HydrophobicContact CB-CB 4.16Å; H405-D426 VanDerWaalsContact CD2-CB 3.49Å; H405-D426 WeakPolarHBondContact CD2-CB 3.01Å; H405-D426 IonicContact CD2-OD2 3.68Å; H405-D426 PolarHBondContact CD2-OD2 3.24Å; H405-D426 VanDerWaalsContact CD2-OD2 3.23Å; H405-D426 IonicContact CG-OD2 3.93Å
406	S	93.9	Very high	94.4	Very high	26 Å²	26	39.7 Å²	39.7	18%	0.182	21%	0.211	C	C	.	.			trans	-60.3	143.7	-180	-54.4	0	0	0	0	111.1	D382 W383 R424 L425	D382-S406 WeakPolarHBondContact O-CA 3.39Å; D382-S406 VanDerWaalsContact O-CB 3.28Å; D382-S406 WeakPolarHBondContact O-CB 3.29Å; W383-S406 PolarHBondContact NE1-OG 2.68Å; S406-R424 WeakPolarHBondContact O-CA 3.17Å; S406-L425 PolarHBondContact O-N 3.04Å
407	L	95.5	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.4	173.7	-59.7	-176.7	0	0	0	108.9	Y365 I380 D382 A385 H403 T422 T423 R424	Y365-L407 VanDerWaalsContact CD2-O 3.28Å; Y365-L407 WeakPolarHBondContact CD2-O 3.41Å; I380-L407 HydrophobicContact CG2-CB 3.4Å; I380-L407 VanDerWaalsContact CG2-CB 3.4Å; I380-L407 HydrophobicContact CG2-CD1 3.91Å; I380-L407 HydrophobicContact CG2-CG 4.33Å; D382-L407 PolarHBondContact O-N 2.59Å; A385-L407 HydrophobicContact CB-CD1 3.86Å; H403-L407 HydrophobicContact CB-CD2 4.42Å; L407-T422 HydrophobicContact CD1-CG2 4.5Å; L407-T423 WeakPolarHBondContact CA-O 3.42Å; L407-R424 HydrophobicContact CD2-CG 3.62Å
408	S	94.9	Very high	94.5	Very high	11 Å²	11	38.8 Å²	38.8	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-38	-175.9	46.7	0	0	0	0	113.5	Y365 T423 L452	Y365-S408 WeakPolarHBondContact CB-O 3.27Å; S408-T423 PolarHBondContact N-O 3.2Å; S408-T423 PolarHBondContact OG-O 3.04Å; S408-T423 PolarHBondContact OG-OG1 2.92Å; S408-T423 VanDerWaalsContact OG-OG1 3.09Å; S408-L452 WeakPolarHBondContact CB-O 3.22Å; S408-L452 PolarHBondContact OG-O 2.87Å
409	D	96.2	Very high	94.6	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	165	177.6	-171.8	15.9	0	0	0	109.9	A366 T423 C454 L455	A366-D409 WeakPolarHBondContact CB-OD1 3.25Å; D409-T423 PolarHBondContact N-OG1 2.98Å; D409-T423 PolarHBondContact O-N 3.42Å; D409-T423 PolarHBondContact O-OG1 3.11Å; D409-T423 VanDerWaalsContact O-OG1 3.12Å; D409-C454 VanDerWaalsContact OD2-CA 3.26Å; D409-C454 WeakPolarHBondContact OD2-CA 3.18Å; D409-L455 HydrophobicContact CB-CD2 3.46Å; D409-L455 VanDerWaalsContact CB-CD2 3.46Å; D409-L455 VanDerWaalsContact O-CD2 3.28Å; D409-L455 WeakPolarHBondContact O-CD2 3.42Å; D409-L455 PolarHBondContact OD2-N 2.88Å
410	G	96.4	Very high	94.7	Very high	4 Å²	4	30.4 Å²	30.4	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	166.3	164.8	0	0	0	0	0	114.8	F421	G410-F421 CarbonylContact C-O 3.5Å; G410-F421 WeakPolarHBondContact CA-O 3.29Å
411	C	96.7	Very high	94.9	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	155.4	-171.9	67.6	0	0	0	0	112	F420 F421 L455 V457	C411-F420 CarbonylContact O-C 3.59Å; C411-F420 WeakPolarHBondContact O-CA 3.44Å; C411-F420 WeakPolarHBondContact O-CB 3.11Å; C411-F421 PolarHBondContact N-O 2.76Å; C411-F421 PolarHBondContact O-N 3.42Å; C411-L455 HydrophobicContact CB-CD1 4.44Å; C411-L455 WeakPolarHBondContact SG-CD1 3.44Å; C411-V457 WeakPolarHBondContact SG-CG2 3.29Å
412	W	97.4	Very high	95.1	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.011	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	151.6	169.1	-74.1	104.1	0	0	0	111.2	Q368 N370 P371 L378 I387 P417 F420 F497	Q368-W412 PolarHBondContact O-NE1 3.41Å; N370-W412 HydrophobicContact CB-CD2 4.3Å; N370-W412 HydrophobicContact CB-CG 4.48Å; P371-W412 HydrophobicContact CG-CB 4.36Å; L378-W412 HydrophobicContact CB-CZ2 3.99Å; I387-W412 HydrophobicContact CD1-CH2 3.78Å; I387-W412 HydrophobicContact CD1-CZ2 4.16Å; I387-W412 HydrophobicContact CG1-CH2 4.18Å; I387-W412 HydrophobicContact CG1-CZ2 4.04Å; I387-W412 HydrophobicContact CG2-CZ2 4.24Å; W412-P417 WeakPolarHBondContact CZ3-O 3.11Å; W412-F420 HydrophobicContact CD2-CB 4.09Å; W412-F420 HydrophobicContact CE3-CB 3.75Å; W412-F420 HydrophobicContact CH2-CD1 4.01Å; W412-F420 HydrophobicContact CZ3-CB 3.98Å; W412-F420 AromaticContact CZ3-CD1 3.89Å; W412-F420 HydrophobicContact CZ3-CD1 3.89Å; W412-F420 HydrophobicContact CZ3-CG 4.38Å; W412-F497 HydrophobicContact CH2-CZ 4.37Å
413	S	96.5	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.			trans	-66.6	131.5	163.4	178.2	0	0	0	0	109.9	I415 R416 V419	S413-I415 PolarHBondContact O-N 2.84Å; S413-I415 PolarHBondContact OG-N 3.18Å; S413-R416 WeakPolarHBondContact CB-O 3.4Å; S413-R416 PolarHBondContact OG-N 2.94Å; S413-R416 VanDerWaalsContact OG-N 3.11Å; S413-V419 WeakPolarHBondContact CB-O 3.18Å; S413-V419 PolarHBondContact N-O 2.93Å
414	P	93.9	Very high	95.6	Very high	41 Å²	41	21.1 Å²	21.1	27%	0.266	11%	0.113	S	C	.	.	S	Bend	trans	-69.9	-17.4	175.6	27.2	-31.9	0	0	0	112.9	F372 V457 Q458 E459	F372-P414 VanDerWaalsContact CE2-O 3.3Å; F372-P414 WeakPolarHBondContact CE2-O 3.37Å; F372-P414 WeakPolarHBondContact CZ-O 3.35Å; P414-V457 HydrophobicContact CG-CG1 4.06Å; P414-Q458 WeakPolarHBondContact CG-O 3.34Å; P414-E459 WeakPolarHBondContact CG-O 3.33Å
415	I	94.8	Very high	95.8	Very high	47 Å²	47	17.2 Å²	17.2	24%	0.241	9%	0.091	C	C	.	.	S	Bend	trans	-108.8	-41.8	-176.9	-58.2	-171.8	0	0	0	112.7	F372 S413 Q460 W483 Q485	F372-I415 VanDerWaalsContact CE2-O 3.29Å; F372-I415 WeakPolarHBondContact CE2-O 3.3Å; F372-I415 WeakPolarHBondContact CZ-O 3.47Å; S413-I415 PolarHBondContact O-N 2.84Å; S413-I415 PolarHBondContact OG-N 3.18Å; I415-Q460 WeakPolarHBondContact CD1-O 3.15Å; I415-W483 WeakPolarHBondContact CG2-O 3.22Å; I415-Q485 HydrophobicContact CG2-CB 4.27Å; I415-Q485 PolarHBondContact O-OE1 2.92Å
416	R	95.2	Very high	95.9	Very high	15 Å²	15	14.2 Å²	14.2	6%	0.057	8%	0.078	C	C	.	.			trans	-101.3	113.2	-176.9	-72.3	-160.8	66.2	-146.6	-16.1	110.9	S413 A418 V419 D433 G481 F482 N484 Q485 E489	S413-R416 WeakPolarHBondContact CB-O 3.4Å; S413-R416 PolarHBondContact OG-N 2.94Å; S413-R416 VanDerWaalsContact OG-N 3.11Å; R416-A418 PolarHBondContact O-N 2.76Å; R416-V419 HydrophobicContact CB-CB 3.98Å; R416-V419 HydrophobicContact CB-CG2 3.8Å; R416-V419 PolarHBondContact O-N 3.24Å; R416-D433 IonicContact CZ-OD2 2.65Å; R416-D433 IonicContact NH1-OD2 2.65Å; R416-D433 PolarHBondContact NH1-OD2 2.88Å; R416-D433 IonicContact NH2-OD1 3.15Å; R416-D433 IonicContact NH2-OD2 2.71Å; R416-D433 PolarHBondContact NH2-OD2 2.95Å; R416-G481 PolarHBondContact NH1-O 3.03Å; R416-F482 VanDerWaalsContact CD-O 3.31Å; R416-F482 WeakPolarHBondContact CD-O 3.48Å; R416-N484 WeakPolarHBondContact CD-O 3.32Å; R416-Q485 HydrophobicContact CG-CB 4.36Å; R416-E489 IonicContact CZ-OE1 2.84Å; R416-E489 VanDerWaalsContact CZ-OE1 3.32Å; R416-E489 IonicContact CZ-OE2 3.08Å; R416-E489 IonicContact NE-OE1 3.87Å; R416-E489 PolarHBondContact NE-OE1 2.86Å; R416-E489 VanDerWaalsContact NE-OE1 3.14Å; R416-E489 IonicContact NE-OE2 3.91Å; R416-E489 PolarHBondContact NE-OE2 2.93Å; R416-E489 VanDerWaalsContact NH2-CD 3.25Å; R416-E489 IonicContact NH2-OE1 2.81Å; R416-E489 PolarHBondContact NH2-OE1 3.47Å; R416-E489 IonicContact NH2-OE2 3.32Å
417	P	95.3	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.3	-175.3	24.3	-33.7	0	0	0	114.6	N370 F372 F373 W412 E489 V493	N370-P417 PolarHBondContact ND2-O 3.18Å; F372-P417 HydrophobicContact CB-CB 4.04Å; F372-P417 HydrophobicContact CD2-CB 3.65Å; F372-P417 HydrophobicContact CD2-CG 4.37Å; F372-P417 HydrophobicContact CE2-CB 4.36Å; F372-P417 HydrophobicContact CG-CB 3.93Å; F373-P417 HydrophobicContact CD2-CB 4.29Å; F373-P417 HydrophobicContact CE2-CB 3.84Å; W412-P417 WeakPolarHBondContact CZ3-O 3.11Å; P417-E489 HydrophobicContact CG-CG 4.2Å; P417-V493 HydrophobicContact CB-CG2 4.27Å; P417-V493 HydrophobicContact CG-CG2 4.17Å
418	A	95.8	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.7	-178.7	0	0	0	0	0	113.5	R416 I434 I435 E489 V493	R416-A418 PolarHBondContact O-N 2.76Å; A418-I434 HydrophobicContact CB-CD1 4.38Å; A418-I434 HydrophobicContact CB-CG1 3.8Å; A418-I434 WeakPolarHBondContact O-CG1 3.13Å; A418-I434 PolarHBondContact O-N 2.93Å; A418-I434 VanDerWaalsContact O-N 3.09Å; A418-I435 HydrophobicContact CB-CB 4.46Å; A418-I435 HydrophobicContact CB-CD1 3.68Å; A418-I435 HydrophobicContact CB-CG1 3.84Å; A418-E489 HydrophobicContact CB-CG 4.26Å; A418-E489 WeakPolarHBondContact CB-OE1 3.4Å; A418-E489 PolarHBondContact N-OE1 3.46Å; A418-V493 HydrophobicContact CB-CG2 3.65Å
419	V	96.5	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.7	-169.4	178.3	0	0	0	0	110.9	S413 R416 F421 I431 W432 D433 F482	S413-V419 WeakPolarHBondContact CB-O 3.18Å; S413-V419 PolarHBondContact N-O 2.93Å; R416-V419 HydrophobicContact CB-CB 3.98Å; R416-V419 HydrophobicContact CB-CG2 3.8Å; R416-V419 PolarHBondContact O-N 3.24Å; V419-F421 HydrophobicContact CG1-CE1 4.22Å; V419-F421 HydrophobicContact CG1-CE2 4.23Å; V419-F421 HydrophobicContact CG1-CZ 3.84Å; V419-I431 HydrophobicContact CG1-CG2 3.94Å; V419-W432 WeakPolarHBondContact CA-O 3.29Å; V419-W432 WeakPolarHBondContact CG1-O 3.2Å; V419-D433 HydrophobicContact CG2-CB 4.21Å; V419-F482 HydrophobicContact CG1-CD1 4.48Å
420	F	97.3	Very high	96.1	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.018	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.7	170	68.6	-89.1	0	0	0	111.1	L378 A385 I387 T400 C411 W412 T422 W432 I434	L378-F420 HydrophobicContact CD1-CD2 4.29Å; L378-F420 HydrophobicContact CD1-CE2 4.44Å; L378-F420 HydrophobicContact CD2-CB 3.95Å; L378-F420 HydrophobicContact CD2-CD2 3.98Å; L378-F420 HydrophobicContact CD2-CG 4.16Å; A385-F420 HydrophobicContact CB-CE2 4.04Å; I387-F420 HydrophobicContact CD1-CE1 4.18Å; T400-F420 HydrophobicContact CG2-CE2 4.4Å; T400-F420 HydrophobicContact CG2-CZ 4.02Å; C411-F420 CarbonylContact O-C 3.59Å; C411-F420 WeakPolarHBondContact O-CA 3.44Å; C411-F420 WeakPolarHBondContact O-CB 3.11Å; W412-F420 HydrophobicContact CD2-CB 4.09Å; W412-F420 HydrophobicContact CE3-CB 3.75Å; W412-F420 HydrophobicContact CH2-CD1 4.01Å; W412-F420 HydrophobicContact CZ3-CB 3.98Å; W412-F420 AromaticContact CZ3-CD1 3.89Å; W412-F420 HydrophobicContact CZ3-CD1 3.89Å; W412-F420 HydrophobicContact CZ3-CG 4.38Å; F420-T422 HydrophobicContact CD2-CG2 3.85Å; F420-T422 HydrophobicContact CE2-CG2 3.72Å; F420-W432 HydrophobicContact CD1-CB 3.78Å; F420-W432 HydrophobicContact CD2-CB 3.99Å; F420-W432 AromaticContact CD2-CD1 3.88Å; F420-W432 HydrophobicContact CD2-CG 4.11Å; F420-W432 HydrophobicContact CE1-CB 3.44Å; F420-W432 VanDerWaalsContact CE1-CB 3.44Å; F420-W432 HydrophobicContact CE1-CG 4.01Å; F420-W432 HydrophobicContact CE2-CB 3.66Å; F420-W432 AromaticContact CE2-CD1 3.34Å; F420-W432 HydrophobicContact CE2-CD2 4.14Å; F420-W432 AromaticContact CE2-CG 3.44Å; F420-W432 HydrophobicContact CE2-CG 3.44Å; F420-W432 VanDerWaalsContact CE2-CG 3.44Å; F420-W432 AromaticContact CE2-NE1 3.92Å; F420-W432 HydrophobicContact CG-CB 4.05Å; F420-W432 HydrophobicContact CZ-CB 3.37Å; F420-W432 AromaticContact CZ-CD1 3.79Å; F420-W432 AromaticContact CZ-CD2 3.83Å; F420-W432 HydrophobicContact CZ-CD2 3.83Å; F420-W432 HydrophobicContact CZ-CE3 4.37Å; F420-W432 AromaticContact CZ-CG 3.38Å; F420-W432 HydrophobicContact CZ-CG 3.38Å; F420-W432 PolarHBondContact N-O 3.07Å; F420-W432 VanDerWaalsContact N-O 3.08Å; F420-W432 PolarHBondContact O-N 3.35Å; F420-I434 HydrophobicContact CD1-CG2 4.07Å; F420-I434 HydrophobicContact CE1-CG2 3.55Å
421	F	97.3	Very high	96.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140	-174.3	-53.6	-83.4	0	0	0	109	G410 C411 V419 L429 S430 I431 L455 V457 I464 L478	G410-F421 CarbonylContact C-O 3.5Å; G410-F421 WeakPolarHBondContact CA-O 3.29Å; C411-F421 PolarHBondContact N-O 2.76Å; C411-F421 PolarHBondContact O-N 3.42Å; V419-F421 HydrophobicContact CG1-CE1 4.22Å; V419-F421 HydrophobicContact CG1-CE2 4.23Å; V419-F421 HydrophobicContact CG1-CZ 3.84Å; F421-L429 HydrophobicContact CB-CD1 4.42Å; F421-S430 WeakPolarHBondContact CA-O 3.3Å; F421-I431 HydrophobicContact CD1-CB 4.19Å; F421-I431 HydrophobicContact CD1-CD1 4.39Å; F421-I431 HydrophobicContact CD1-CG1 3.88Å; F421-I431 HydrophobicContact CD1-CG2 3.81Å; F421-I431 HydrophobicContact CE1-CB 4.29Å; F421-I431 HydrophobicContact CE1-CD1 4.1Å; F421-I431 HydrophobicContact CE1-CG1 4.04Å; F421-I431 HydrophobicContact CE1-CG2 3.53Å; F421-I431 HydrophobicContact CZ-CG2 4.47Å; F421-L455 HydrophobicContact CB-CD1 3.47Å; F421-L455 VanDerWaalsContact CB-CD1 3.47Å; F421-L455 HydrophobicContact CG-CD1 4.48Å; F421-V457 HydrophobicContact CD2-CG2 3.45Å; F421-V457 VanDerWaalsContact CD2-CG2 3.45Å; F421-V457 HydrophobicContact CE2-CG1 4.39Å; F421-V457 HydrophobicContact CE2-CG2 3.47Å; F421-V457 VanDerWaalsContact CE2-CG2 3.47Å; F421-V457 HydrophobicContact CG-CG2 4.24Å; F421-V457 HydrophobicContact CZ-CG2 4.27Å; F421-I464 HydrophobicContact CB-CD1 3.96Å; F421-I464 HydrophobicContact CD1-CD1 3.71Å; F421-I464 HydrophobicContact CD2-CD1 4.26Å; F421-I464 HydrophobicContact CE1-CD1 4.25Å; F421-I464 HydrophobicContact CG-CD1 3.71Å; F421-L478 HydrophobicContact CE1-CD1 3.59Å; F421-L478 HydrophobicContact CZ-CD1 3.56Å
422	T	97.3	Very high	96.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.9	176.4	58.2	0	0	0	0	109.3	I380 A385 L407 F420 S430 W432	I380-T422 HydrophobicContact CD1-CG2 4Å; A385-T422 HydrophobicContact CB-CG2 3.89Å; L407-T422 HydrophobicContact CD1-CG2 4.5Å; F420-T422 HydrophobicContact CD2-CG2 3.85Å; F420-T422 HydrophobicContact CE2-CG2 3.72Å; T422-S430 PolarHBondContact N-O 3.44Å; T422-S430 PolarHBondContact O-N 3.34Å; T422-S430 WeakPolarHBondContact OG1-CB 3.43Å; T422-W432 PolarHBondContact OG1-NE1 3.42Å
423	T	96.9	Very high	96	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.1	171.2	51.4	0	0	0	0	110.6	L407 S408 D409 T428 L429 L452 L455 T466	L407-T423 WeakPolarHBondContact CA-O 3.42Å; S408-T423 PolarHBondContact N-O 3.2Å; S408-T423 PolarHBondContact OG-O 3.04Å; S408-T423 PolarHBondContact OG-OG1 2.92Å; S408-T423 VanDerWaalsContact OG-OG1 3.09Å; D409-T423 PolarHBondContact N-OG1 2.98Å; D409-T423 PolarHBondContact O-N 3.42Å; D409-T423 PolarHBondContact O-OG1 3.11Å; D409-T423 VanDerWaalsContact O-OG1 3.12Å; T423-T428 WeakPolarHBondContact CA-O 3.48Å; T423-L429 HydrophobicContact CG2-CD1 3.72Å; T423-L452 HydrophobicContact CG2-CB 4.26Å; T423-L452 HydrophobicContact CG2-CD1 3.94Å; T423-L455 HydrophobicContact CG2-CB 3.97Å; T423-L455 HydrophobicContact CG2-CD2 3.49Å; T423-L455 VanDerWaalsContact CG2-CD2 3.49Å; T423-L455 HydrophobicContact CG2-CG 4.21Å; T423-L455 VanDerWaalsContact OG1-CD2 3.23Å; T423-L455 WeakPolarHBondContact OG1-CD2 3.41Å; T423-T466 HydrophobicContact CG2-CG2 4.31Å
424	R	95.8	Very high	95.9	Very high	27 Å²	27	12.5 Å²	12.5	10%	0.102	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.7	-177.4	-60.7	-167.1	-158.6	150.3	3.3	111	H403 S406 L407 D426 G427 T428 S430 L452	H403-R424 PolarHBondContact CE1-NH2 2.93Å; H403-R424 PolarHBondContact ND1-NH2 2.92Å; S406-R424 WeakPolarHBondContact O-CA 3.17Å; L407-R424 HydrophobicContact CD2-CG 3.62Å; R424-D426 WeakPolarHBondContact CB-OD1 3.33Å; R424-D426 PolarHBondContact O-N 2.91Å; R424-G427 PolarHBondContact O-N 2.91Å; R424-G427 VanDerWaalsContact O-N 3.14Å; R424-T428 WeakPolarHBondContact CB-OG1 3.34Å; R424-T428 WeakPolarHBondContact CD-OG1 3.15Å; R424-T428 WeakPolarHBondContact CG-OG1 3.39Å; R424-T428 PolarHBondContact N-O 3.27Å; R424-S430 PolarHBondContact NH2-OG 2.79Å; R424-L452 PolarHBondContact O-N 3.13Å
425	L	95.2	Very high	95.9	Very high	64 Å²	64	13.4 Å²	13.4	34%	0.335	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.1	176.3	-64.1	-177.5	0	0	0	114.4	S406 G427 P451	S406-L425 PolarHBondContact O-N 3.04Å; L425-G427 VanDerWaalsContact C-N 3.32Å; L425-P451 HydrophobicContact CB-CB 4.35Å; L425-P451 HydrophobicContact CD2-CB 4.05Å; L425-P451 WeakPolarHBondContact O-CA 3.29Å; L425-P451 VanDerWaalsContact O-CB 3.31Å; L425-P451 WeakPolarHBondContact O-CB 3.49Å; L425-P451 WeakPolarHBondContact O-CG 3.36Å
426	D	95.4	Very high	95.7	Very high	30 Å²	30	17.5 Å²	17.5	16%	0.16	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.2	172.4	62	4.5	0	0	0	113.3	H405 R424 T428 Q446	H405-D426 HydrophobicContact CB-CB 4.16Å; H405-D426 VanDerWaalsContact CD2-CB 3.49Å; H405-D426 WeakPolarHBondContact CD2-CB 3.01Å; H405-D426 IonicContact CD2-OD2 3.68Å; H405-D426 PolarHBondContact CD2-OD2 3.24Å; H405-D426 VanDerWaalsContact CD2-OD2 3.23Å; H405-D426 IonicContact CG-OD2 3.93Å; R424-D426 WeakPolarHBondContact CB-OD1 3.33Å; R424-D426 PolarHBondContact O-N 2.91Å; D426-T428 VanDerWaalsContact OD1-CB 3.31Å; D426-T428 WeakPolarHBondContact OD1-CB 3.25Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.21Å; D426-T428 PolarHBondContact OD1-N 2.94Å; D426-T428 PolarHBondContact OD1-OG1 2.95Å; D426-T428 PolarHBondContact OD2-OG1 3.24Å; D426-Q446 PolarHBondContact O-NE2 2.87Å
427	G	95.1	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	94.5	8.2	-176.2	0	0	0	0	0	115.1	R424 L425 I447 C448 E450	R424-G427 PolarHBondContact O-N 2.91Å; R424-G427 VanDerWaalsContact O-N 3.14Å; L425-G427 VanDerWaalsContact C-N 3.32Å; G427-I447 PolarHBondContact O-N 2.85Å; G427-C448 WeakPolarHBondContact CA-O 3.44Å; G427-E450 VanDerWaalsContact CA-O 3.24Å; G427-E450 WeakPolarHBondContact CA-O 3.27Å
428	T	96.8	Very high	95.2	Very high	12 Å²	12	25.9 Å²	25.9	7%	0.074	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.7	176.7	60.1	0	0	0	0	113.1	T423 R424 D426 I445	T423-T428 WeakPolarHBondContact CA-O 3.48Å; R424-T428 WeakPolarHBondContact CB-OG1 3.34Å; R424-T428 WeakPolarHBondContact CD-OG1 3.15Å; R424-T428 WeakPolarHBondContact CG-OG1 3.39Å; R424-T428 PolarHBondContact N-O 3.27Å; D426-T428 VanDerWaalsContact OD1-CB 3.31Å; D426-T428 WeakPolarHBondContact OD1-CB 3.25Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.21Å; D426-T428 PolarHBondContact OD1-N 2.94Å; D426-T428 PolarHBondContact OD1-OG1 2.95Å; D426-T428 PolarHBondContact OD2-OG1 3.24Å; T428-I445 WeakPolarHBondContact CA-O 3.49Å
429	L	96.8	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.6	164.1	174.8	71.3	0	0	0	108.6	F421 T423 S444 I445 I447 L455 I464 T466 L476	F421-L429 HydrophobicContact CB-CD1 4.42Å; T423-L429 HydrophobicContact CG2-CD1 3.72Å; L429-S444 WeakPolarHBondContact O-CA 3.26Å; L429-I445 PolarHBondContact N-O 2.81Å; L429-I445 PolarHBondContact O-N 3.08Å; L429-I447 HydrophobicContact CB-CD1 3.5Å; L429-I447 HydrophobicContact CB-CG1 4.16Å; L429-I447 HydrophobicContact CD2-CD1 3.98Å; L429-I447 HydrophobicContact CG-CD1 4.35Å; L429-L455 HydrophobicContact CD1-CD1 4.47Å; L429-I464 HydrophobicContact CD1-CD1 4.03Å; L429-I464 HydrophobicContact CD2-CD1 4.1Å; L429-I464 HydrophobicContact CD2-CG2 4.12Å; L429-T466 HydrophobicContact CD1-CG2 4.3Å; L429-T466 HydrophobicContact CD2-CG2 4.28Å; L429-L476 HydrophobicContact CD2-CD1 3.55Å
430	S	96.2	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.6	173.3	-64.4	0	0	0	0	110.7	F421 T422 R424 L443 S444	F421-S430 WeakPolarHBondContact CA-O 3.3Å; T422-S430 PolarHBondContact N-O 3.44Å; T422-S430 PolarHBondContact O-N 3.34Å; T422-S430 WeakPolarHBondContact OG1-CB 3.43Å; R424-S430 PolarHBondContact NH2-OG 2.79Å; S430-L443 WeakPolarHBondContact CA-O 3.49Å; S430-S444 PolarHBondContact OG-OG 2.91Å
431	I	96.8	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.7	174.2	-45.5	-175.2	0	0	0	107.8	V419 F421 P441 A442 L443 L478 F482	V419-I431 HydrophobicContact CG1-CG2 3.94Å; F421-I431 HydrophobicContact CD1-CB 4.19Å; F421-I431 HydrophobicContact CD1-CD1 4.39Å; F421-I431 HydrophobicContact CD1-CG1 3.88Å; F421-I431 HydrophobicContact CD1-CG2 3.81Å; F421-I431 HydrophobicContact CE1-CB 4.29Å; F421-I431 HydrophobicContact CE1-CD1 4.1Å; F421-I431 HydrophobicContact CE1-CG1 4.04Å; F421-I431 HydrophobicContact CE1-CG2 3.53Å; F421-I431 HydrophobicContact CZ-CG2 4.47Å; I431-P441 CarbonylContact O-C 3.46Å; I431-A442 PolarHBondContact O-N 2.98Å; I431-L443 HydrophobicContact CB-CB 4.27Å; I431-L443 HydrophobicContact CD1-CB 4.37Å; I431-L443 HydrophobicContact CD1-CD2 4Å; I431-L443 HydrophobicContact CG1-CB 4.38Å; I431-L443 PolarHBondContact N-O 2.99Å; I431-L443 PolarHBondContact O-N 3.41Å; I431-L478 HydrophobicContact CD1-CD2 3.65Å; I431-F482 HydrophobicContact CB-CE1 4.16Å; I431-F482 HydrophobicContact CB-CZ 4.21Å; I431-F482 HydrophobicContact CD1-CD2 3.99Å; I431-F482 HydrophobicContact CD1-CE2 3.86Å; I431-F482 HydrophobicContact CD1-CG 4.43Å; I431-F482 HydrophobicContact CD1-CZ 4.19Å; I431-F482 HydrophobicContact CG2-CD1 3.53Å; I431-F482 HydrophobicContact CG2-CE1 3.46Å; I431-F482 VanDerWaalsContact CG2-CE1 3.46Å; I431-F482 HydrophobicContact CG2-CE2 4.49Å; I431-F482 HydrophobicContact CG2-CG 4.1Å; I431-F482 HydrophobicContact CG2-CZ 3.97Å
432	W	96.3	Very high	94.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136	179.8	-66.8	87.2	0	0	0	110	T400 H403 V419 F420 T422 P441	T400-W432 HydrophobicContact CG2-CD2 4.13Å; T400-W432 HydrophobicContact CG2-CE3 4.17Å; T400-W432 HydrophobicContact CG2-CH2 3.59Å; T400-W432 HydrophobicContact CG2-CZ2 3.53Å; T400-W432 HydrophobicContact CG2-CZ3 3.92Å; H403-W432 AromaticContact CE1-CZ2 3.58Å; H403-W432 AromaticContact NE2-CZ2 3.6Å; V419-W432 WeakPolarHBondContact CA-O 3.29Å; V419-W432 WeakPolarHBondContact CG1-O 3.2Å; F420-W432 HydrophobicContact CD1-CB 3.78Å; F420-W432 HydrophobicContact CD2-CB 3.99Å; F420-W432 AromaticContact CD2-CD1 3.88Å; F420-W432 HydrophobicContact CD2-CG 4.11Å; F420-W432 HydrophobicContact CE1-CB 3.44Å; F420-W432 VanDerWaalsContact CE1-CB 3.44Å; F420-W432 HydrophobicContact CE1-CG 4.01Å; F420-W432 HydrophobicContact CE2-CB 3.66Å; F420-W432 AromaticContact CE2-CD1 3.34Å; F420-W432 HydrophobicContact CE2-CD2 4.14Å; F420-W432 AromaticContact CE2-CG 3.44Å; F420-W432 HydrophobicContact CE2-CG 3.44Å; F420-W432 VanDerWaalsContact CE2-CG 3.44Å; F420-W432 AromaticContact CE2-NE1 3.92Å; F420-W432 HydrophobicContact CG-CB 4.05Å; F420-W432 HydrophobicContact CZ-CB 3.37Å; F420-W432 AromaticContact CZ-CD1 3.79Å; F420-W432 AromaticContact CZ-CD2 3.83Å; F420-W432 HydrophobicContact CZ-CD2 3.83Å; F420-W432 HydrophobicContact CZ-CE3 4.37Å; F420-W432 AromaticContact CZ-CG 3.38Å; F420-W432 HydrophobicContact CZ-CG 3.38Å; F420-W432 PolarHBondContact N-O 3.07Å; F420-W432 VanDerWaalsContact N-O 3.08Å; F420-W432 PolarHBondContact O-N 3.35Å; T422-W432 PolarHBondContact OG1-NE1 3.42Å; W432-P441 HydrophobicContact CD2-CB 3.96Å; W432-P441 HydrophobicContact CE3-CB 4.35Å; W432-P441 HydrophobicContact CG-CB 4.39Å; W432-P441 HydrophobicContact CZ2-CB 4.14Å; W432-P441 HydrophobicContact CZ2-CG 4.34Å
433	D	94.8	Very high	94.4	Very high	14 Å²	14	45.2 Å²	45.2	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	105.8	167.6	-177.3	-32.1	0	0	0	106.9	R416 V419 I435 F436 K437 A442	R416-D433 IonicContact CZ-OD2 2.65Å; R416-D433 IonicContact NH1-OD2 2.65Å; R416-D433 PolarHBondContact NH1-OD2 2.88Å; R416-D433 IonicContact NH2-OD1 3.15Å; R416-D433 IonicContact NH2-OD2 2.71Å; R416-D433 PolarHBondContact NH2-OD2 2.95Å; V419-D433 HydrophobicContact CG2-CB 4.21Å; D433-I435 PolarHBondContact O-N 3.02Å; D433-I435 PolarHBondContact OD1-N 2.9Å; D433-F436 HydrophobicContact CB-CB 4Å; D433-F436 PolarHBondContact O-N 2.8Å; D433-F436 VanDerWaalsContact O-N 3.16Å; D433-F436 PolarHBondContact OD1-N 2.89Å; D433-F436 VanDerWaalsContact OD1-N 3.15Å; D433-K437 CarbonylContact O-C 3.48Å; D433-K437 PolarHBondContact O-N 3.17Å; D433-A442 HydrophobicContact CB-CB 4.23Å
434	I	94.5	Very high	94.3	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.9	-172.9	65.4	-174.8	0	0	0	113.3	I387 M398 A418 F420 Q438 M496 F497	I387-I434 HydrophobicContact CD1-CG2 4.15Å; M398-I434 HydrophobicContact CE-CB 4.29Å; M398-I434 HydrophobicContact CE-CG2 4.43Å; A418-I434 HydrophobicContact CB-CD1 4.38Å; A418-I434 HydrophobicContact CB-CG1 3.8Å; A418-I434 WeakPolarHBondContact O-CG1 3.13Å; A418-I434 PolarHBondContact O-N 2.93Å; A418-I434 VanDerWaalsContact O-N 3.09Å; F420-I434 HydrophobicContact CD1-CG2 4.07Å; F420-I434 HydrophobicContact CE1-CG2 3.55Å; I434-Q438 WeakPolarHBondContact O-CG 3.45Å; I434-Q438 PolarHBondContact O-NE2 3.11Å; I434-M496 HydrophobicContact CB-SD 4.4Å; I434-M496 HydrophobicContact CD1-SD 4.16Å; I434-M496 HydrophobicContact CG1-SD 4.11Å; I434-F497 HydrophobicContact CD1-CE1 3.95Å; I434-F497 HydrophobicContact CD1-CZ 4.01Å
435	I	93.1	Very high	94.3	Very high	59 Å²	59	48.5 Å²	48.5	30%	0.303	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-40.6	175.3	-69	172.9	0	0	0	109.5	A418 D433 E489 L492 V493 M496	A418-I435 HydrophobicContact CB-CB 4.46Å; A418-I435 HydrophobicContact CB-CD1 3.68Å; A418-I435 HydrophobicContact CB-CG1 3.84Å; D433-I435 PolarHBondContact O-N 3.02Å; D433-I435 PolarHBondContact OD1-N 2.9Å; I435-E489 HydrophobicContact CD1-CG 3.64Å; I435-L492 HydrophobicContact CD1-CB 3.92Å; I435-L492 HydrophobicContact CD1-CD1 4.5Å; I435-L492 HydrophobicContact CG2-CD1 4.5Å; I435-V493 HydrophobicContact CD1-CG2 3.63Å; I435-V493 HydrophobicContact CG1-CG2 4.26Å; I435-M496 HydrophobicContact CG1-CE 4.44Å
436	F	90.6	Very high	94.3	Very high	134 Å²	134	50.4 Å²	50.4	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-53.1	-176.8	-175.6	-122.4	0	0	0	113.1	D433 A442	D433-F436 HydrophobicContact CB-CB 4Å; D433-F436 PolarHBondContact O-N 2.8Å; D433-F436 VanDerWaalsContact O-N 3.16Å; D433-F436 PolarHBondContact OD1-N 2.89Å; D433-F436 VanDerWaalsContact OD1-N 3.15Å; F436-A442 HydrophobicContact CD1-CB 4.35Å
437	K	91.1	Very high	94.3	Very high	93 Å²	93	50.7 Å²	50.7	40%	0.404	24%	0.244	S	C	.	.			trans	-141.1	120.7	-178.5	-71.2	178.5	-178.4	170.8	0	111	D433 K440	D433-K437 CarbonylContact O-C 3.48Å; D433-K437 PolarHBondContact O-N 3.17Å; K437-K440 VanDerWaalsContact CB-O 3.24Å; K437-K440 WeakPolarHBondContact CB-O 3.41Å
438	Q	90.2	Very high	94.2	Very high	98 Å²	98	52.1 Å²	52.1	46%	0.458	25%	0.254	S	S	.	.	S	Bend	trans	-93.9	-32.2	-179.7	-65.7	174.7	-3.3	0	0	113.5	M398 I434 M496	M398-Q438 HydrophobicContact CE-CG 4.37Å; I434-Q438 WeakPolarHBondContact O-CG 3.45Å; I434-Q438 PolarHBondContact O-NE2 3.11Å; Q438-M496 VanDerWaalsContact NE2-CE 3.32Å
439	K	90.9	Very high	94.1	Very high	185 Å²	185	60.4 Å²	60.4	80%	0.804	29%	0.292	S	S	*	.	S	Bend	trans	-87.1	-29.5	-175.4	-67.2	-173	178.5	-177.8	0	114
440	K	93.3	Very high	93.9	Very high	154 Å²	154	63.1 Å²	63.1	67%	0.67	30%	0.304	S	S	*	.	S	Bend	trans	-132.5	149.1	-176.6	-69.7	-171.9	178.1	-174.1	0	109.3	K437	K437-K440 VanDerWaalsContact CB-O 3.24Å; K437-K440 WeakPolarHBondContact CB-O 3.41Å
441	P	94.3	Very high	93.8	Very high	26 Å²	26	65 Å²	65	17%	0.169	32%	0.317	C	S	.	.			trans	-60.7	149.9	175	26.1	-33.9	0	0	0	111	I431 W432 L443 S444	I431-P441 CarbonylContact O-C 3.46Å; W432-P441 HydrophobicContact CD2-CB 3.96Å; W432-P441 HydrophobicContact CE3-CB 4.35Å; W432-P441 HydrophobicContact CG-CB 4.39Å; W432-P441 HydrophobicContact CZ2-CB 4.14Å; W432-P441 HydrophobicContact CZ2-CG 4.34Å; P441-L443 VanDerWaalsContact C-N 3.34Å; P441-S444 WeakPolarHBondContact CG-OG 3.28Å
442	A	93.9	Very high	93.8	Very high	13 Å²	13	65.1 Å²	65.1	11%	0.107	32%	0.317	C	S	.	.	S	Bend	trans	-67.2	-39.3	176	0	0	0	0	0	111.1	I431 D433 F436 F482	I431-A442 PolarHBondContact O-N 2.98Å; D433-A442 HydrophobicContact CB-CB 4.23Å; F436-A442 HydrophobicContact CD1-CB 4.35Å; A442-F482 HydrophobicContact CB-CE1 4.03Å; A442-F482 HydrophobicContact CB-CZ 4.3Å
443	L	95.1	Very high	93.7	Very high	31 Å²	31	67.7 Å²	67.7	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.8	175.6	-177.6	60.3	0	0	0	109.9	P146 S430 I431 P441 I445 F482	P146-L443 HydrophobicContact CB-CB 4.46Å; P146-L443 HydrophobicContact CB-CD2 4.46Å; S430-L443 WeakPolarHBondContact CA-O 3.49Å; I431-L443 HydrophobicContact CB-CB 4.27Å; I431-L443 HydrophobicContact CD1-CB 4.37Å; I431-L443 HydrophobicContact CD1-CD2 4Å; I431-L443 HydrophobicContact CG1-CB 4.38Å; I431-L443 PolarHBondContact N-O 2.99Å; I431-L443 PolarHBondContact O-N 3.41Å; P441-L443 VanDerWaalsContact C-N 3.34Å; L443-I445 HydrophobicContact CD1-CG1 4.22Å; L443-I445 HydrophobicContact CD2-CD1 3.7Å; L443-I445 HydrophobicContact CD2-CG1 4.18Å; L443-I445 HydrophobicContact CG-CD1 4Å; L443-I445 HydrophobicContact CG-CG1 3.92Å; L443-F482 HydrophobicContact CB-CE2 4.21Å; L443-F482 HydrophobicContact CB-CZ 3.82Å; L443-F482 HydrophobicContact CD2-CE2 3.77Å; L443-F482 HydrophobicContact CD2-CZ 4.25Å
444	S	95.1	Very high	93.8	Very high	59 Å²	59	67.2 Å²	67.2	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.2	171.6	-69.4	0	0	0	0	109.1	L429 S430 P441	L429-S444 WeakPolarHBondContact O-CA 3.26Å; S430-S444 PolarHBondContact OG-OG 2.91Å; P441-S444 WeakPolarHBondContact CG-OG 3.28Å
445	I	95.3	Very high	93.9	Very high	38 Å²	38	67 Å²	67	20%	0.195	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.7	-173.6	-59.3	168.6	0	0	0	108.2	A148 T428 L429 L443 I447	A148-I445 HydrophobicContact CB-CD1 3.42Å; A148-I445 VanDerWaalsContact CB-CD1 3.42Å; T428-I445 WeakPolarHBondContact CA-O 3.49Å; L429-I445 PolarHBondContact N-O 2.81Å; L429-I445 PolarHBondContact O-N 3.08Å; L443-I445 HydrophobicContact CD1-CG1 4.22Å; L443-I445 HydrophobicContact CD2-CD1 3.7Å; L443-I445 HydrophobicContact CD2-CG1 4.18Å; L443-I445 HydrophobicContact CG-CD1 4Å; L443-I445 HydrophobicContact CG-CG1 3.92Å; I445-I447 HydrophobicContact CG2-CG1 4.4Å; I445-I447 PolarHBondContact O-N 2.92Å
446	Q	95.6	Very high	94	Very high	104 Å²	104	66.5 Å²	66.5	49%	0.486	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.7	168.3	-169.3	75.7	35.9	0	0	108.6	D426 C448	D426-Q446 PolarHBondContact O-NE2 2.87Å; Q446-C448 PolarHBondContact NE2-O 2.82Å
447	I	94.5	Very high	94.3	Very high	35 Å²	35	61.1 Å²	61.1	18%	0.179	30%	0.3	C	S	.	.			trans	-87.1	-45.1	-177.6	-61.6	178.2	0	0	0	110.7	G427 L429 I445 L452 T466 T474 L476	G427-I447 PolarHBondContact O-N 2.85Å; L429-I447 HydrophobicContact CB-CD1 3.5Å; L429-I447 HydrophobicContact CB-CG1 4.16Å; L429-I447 HydrophobicContact CD2-CD1 3.98Å; L429-I447 HydrophobicContact CG-CD1 4.35Å; I445-I447 HydrophobicContact CG2-CG1 4.4Å; I445-I447 PolarHBondContact O-N 2.92Å; I447-L452 HydrophobicContact CB-CD1 4.44Å; I447-L452 HydrophobicContact CD1-CD1 3.99Å; I447-T466 HydrophobicContact CD1-CG2 3.77Å; I447-T466 WeakPolarHBondContact CD1-OG1 3.37Å; I447-T474 HydrophobicContact CG2-CG2 3.76Å; I447-L476 HydrophobicContact CD1-CD1 3.45Å; I447-L476 VanDerWaalsContact CD1-CD1 3.45Å; I447-L476 HydrophobicContact CG1-CD1 4.07Å
448	C	93	Very high	94.5	Very high	30 Å²	30	57 Å²	57	20%	0.203	28%	0.282	C	S	.	.			trans	-144.9	167.1	179.7	53.3	0	0	0	0	109.4	G427 Q446 E450	G427-C448 WeakPolarHBondContact CA-O 3.44Å; Q446-C448 PolarHBondContact NE2-O 2.82Å; C448-E450 VanDerWaalsContact C-N 3.34Å; C448-E450 PolarHBondContact SG-O 3.21Å
449	E	94	Very high	94.5	Very high	186 Å²	186	59.3 Å²	59.3	87%	0.869	29%	0.293	S	S	*	.	S	Bend	trans	-84.5	-13.8	174.6	-62.8	180	170.4	0	0	112.7
450	E	93.4	Very high	94.6	Very high	57 Å²	57	55.8 Å²	55.8	27%	0.266	28%	0.279	S	S	.	.	S	Bend	trans	-94.2	160.6	-179.6	-64.3	-178.3	-175.5	0	0	111.7	K161 G427 C448 L452 S470	K161-E450 IonicContact NZ-OE1 2.94Å; K161-E450 PolarHBondContact NZ-OE1 3.03Å; G427-E450 VanDerWaalsContact CA-O 3.24Å; G427-E450 WeakPolarHBondContact CA-O 3.27Å; C448-E450 VanDerWaalsContact C-N 3.34Å; C448-E450 PolarHBondContact SG-O 3.21Å; E450-L452 PolarHBondContact O-N 2.94Å; E450-S470 WeakPolarHBondContact OE2-CA 3.44Å; E450-S470 WeakPolarHBondContact OE2-CB 3.45Å; E450-S470 PolarHBondContact OE2-N 2.83Å; E450-S470 PolarHBondContact OE2-OG 3.16Å
451	P	95.2	Very high	94.5	Very high	41 Å²	41	48.5 Å²	48.5	27%	0.266	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-59.1	134.4	179.9	-22.4	31.3	0	0	0	113.4	L425 S468 H469	L425-P451 HydrophobicContact CB-CB 4.35Å; L425-P451 HydrophobicContact CD2-CB 4.05Å; L425-P451 WeakPolarHBondContact O-CA 3.29Å; L425-P451 VanDerWaalsContact O-CB 3.31Å; L425-P451 WeakPolarHBondContact O-CB 3.49Å; L425-P451 WeakPolarHBondContact O-CG 3.36Å; P451-S468 CarbonylContact O-C 3.5Å; P451-S468 WeakPolarHBondContact O-CA 3.43Å; P451-H469 HydrophobicContact CB-CB 4.4Å; P451-H469 HydrophobicContact CG-CB 4.49Å; P451-H469 PolarHBondContact O-N 3.46Å
452	L	96.4	Very high	94.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.7	165.2	-69.5	172.8	0	0	0	108.9	S408 T423 R424 I447 E450 G467	S408-L452 WeakPolarHBondContact CB-O 3.22Å; S408-L452 PolarHBondContact OG-O 2.87Å; T423-L452 HydrophobicContact CG2-CB 4.26Å; T423-L452 HydrophobicContact CG2-CD1 3.94Å; R424-L452 PolarHBondContact O-N 3.13Å; I447-L452 HydrophobicContact CB-CD1 4.44Å; I447-L452 HydrophobicContact CD1-CD1 3.99Å; E450-L452 PolarHBondContact O-N 2.94Å; L452-G467 CarbonylContact C-O 3.59Å; L452-G467 WeakPolarHBondContact CA-O 3.31Å
453	H	94.5	Very high	94.5	Very high	59 Å²	59	53 Å²	53	27%	0.273	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-27	-178.7	-73.1	-63	0	0	0	113.4	G467 H469	H453-G467 PolarHBondContact N-O 3.3Å; H453-H469 AromaticContact CD2-ND1 3.87Å; H453-H469 WeakPolarHBondContact NE2-CB 3.41Å; H453-H469 AromaticContact NE2-CG 3.57Å; H453-H469 AromaticContact NE2-ND1 3.09Å; H453-H469 PolarHBondContact NE2-ND1 2.87Å
454	C	95.7	Very high	94.6	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.2	-177.4	62.3	0	0	0	0	112.4	D409 T466 G467	D409-C454 VanDerWaalsContact OD2-CA 3.26Å; D409-C454 WeakPolarHBondContact OD2-CA 3.18Å; C454-T466 WeakPolarHBondContact O-CA 3Å; C454-G467 PolarHBondContact O-N 2.76Å
455	L	96.6	Very high	94.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.2	165.1	65.7	147.4	0	0	0	112	D409 C411 F421 T423 L429 I464 A465 T466	D409-L455 HydrophobicContact CB-CD2 3.46Å; D409-L455 VanDerWaalsContact CB-CD2 3.46Å; D409-L455 VanDerWaalsContact O-CD2 3.28Å; D409-L455 WeakPolarHBondContact O-CD2 3.42Å; D409-L455 PolarHBondContact OD2-N 2.88Å; C411-L455 HydrophobicContact CB-CD1 4.44Å; C411-L455 WeakPolarHBondContact SG-CD1 3.44Å; F421-L455 HydrophobicContact CB-CD1 3.47Å; F421-L455 VanDerWaalsContact CB-CD1 3.47Å; F421-L455 HydrophobicContact CG-CD1 4.48Å; T423-L455 HydrophobicContact CG2-CB 3.97Å; T423-L455 HydrophobicContact CG2-CD2 3.49Å; T423-L455 VanDerWaalsContact CG2-CD2 3.49Å; T423-L455 HydrophobicContact CG2-CG 4.21Å; T423-L455 VanDerWaalsContact OG1-CD2 3.23Å; T423-L455 WeakPolarHBondContact OG1-CD2 3.41Å; L429-L455 HydrophobicContact CD1-CD1 4.47Å; L455-I464 HydrophobicContact CD1-CD1 3.96Å; L455-A465 CarbonylContact C-O 3.5Å; L455-A465 VanDerWaalsContact CA-O 3.23Å; L455-A465 WeakPolarHBondContact CA-O 3.49Å; L455-T466 HydrophobicContact CB-CG2 4.14Å
456	K	96.5	Very high	94.8	Very high	48 Å²	48	46.9 Å²	46.9	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.4	166.5	-75.6	-62.9	-172.1	144.6	0	111.3	L167 W169 E220 A465	L167-K456 HydrophobicContact CB-CB 4.21Å; L167-K456 HydrophobicContact CB-CG 3.91Å; L167-K456 WeakPolarHBondContact O-CE 3.21Å; L167-K456 WeakPolarHBondContact O-CG 3.43Å; W169-K456 PolarHBondContact NE1-O 3.1Å; E220-K456 IonicContact OE1-NZ 3.45Å; E220-K456 PolarHBondContact OE1-NZ 3.29Å; E220-K456 IonicContact OE2-NZ 2.93Å; K456-A465 PolarHBondContact N-O 3.02Å; K456-A465 PolarHBondContact O-N 2.91Å
457	V	96.1	Very high	94.8	Very high	21 Å²	21	41.9 Å²	41.9	13%	0.127	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.3	173.3	-179.6	0	0	0	0	109.1	C411 P414 F421 I464	C411-V457 WeakPolarHBondContact SG-CG2 3.29Å; P414-V457 HydrophobicContact CG-CG1 4.06Å; F421-V457 HydrophobicContact CD2-CG2 3.45Å; F421-V457 VanDerWaalsContact CD2-CG2 3.45Å; F421-V457 HydrophobicContact CE2-CG1 4.39Å; F421-V457 HydrophobicContact CE2-CG2 3.47Å; F421-V457 VanDerWaalsContact CE2-CG2 3.47Å; F421-V457 HydrophobicContact CG-CG2 4.24Å; F421-V457 HydrophobicContact CZ-CG2 4.27Å; V457-I464 HydrophobicContact CG2-CB 4.36Å; V457-I464 HydrophobicContact CG2-CD1 3.75Å; V457-I464 HydrophobicContact CG2-CG1 3.81Å
458	Q	94.3	Very high	94.9	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.033	19%	0.192	C	C	.	.			trans	-65.8	149.3	173.7	-170	-147.6	-22.9	0	0	109.9	W169 P174 P414 Q460 G461 L463	W169-Q458 HydrophobicContact CD2-CB 4.25Å; W169-Q458 HydrophobicContact CD2-CG 4.4Å; W169-Q458 HydrophobicContact CE3-CG 4.47Å; W169-Q458 HydrophobicContact CZ2-CB 4.4Å; P174-Q458 HydrophobicContact CB-CG 4.33Å; P174-Q458 VanDerWaalsContact CB-NE2 3.28Å; P414-Q458 WeakPolarHBondContact CG-O 3.34Å; Q458-Q460 VanDerWaalsContact NE2-OE1 3.13Å; Q458-Q460 PolarHBondContact O-N 3.15Å; Q458-Q460 VanDerWaalsContact O-N 3.1Å; Q458-G461 WeakPolarHBondContact O-CA 3.48Å; Q458-G461 PolarHBondContact O-N 2.83Å; Q458-L463 HydrophobicContact CB-CB 4Å; Q458-L463 WeakPolarHBondContact CB-O 3.44Å; Q458-L463 PolarHBondContact N-O 2.65Å
459	E	91.8	Very high	94.9	Very high	146 Å²	146	41.7 Å²	41.7	68%	0.682	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.2	-179.5	-169.4	170.6	-175.5	0	0	114	P414 G461	P414-E459 WeakPolarHBondContact CG-O 3.33Å; E459-G461 VanDerWaalsContact C-N 3.26Å; E459-G461 PolarHBondContact O-N 3.42Å
460	Q	91.3	Very high	94.8	Very high	111 Å²	111	33.5 Å²	33.5	52%	0.519	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.5	174.1	-61.8	176.5	-15.4	0	0	114.1	I415 Q458 R462	I415-Q460 WeakPolarHBondContact CD1-O 3.15Å; Q458-Q460 VanDerWaalsContact NE2-OE1 3.13Å; Q458-Q460 PolarHBondContact O-N 3.15Å; Q458-Q460 VanDerWaalsContact O-N 3.1Å; Q460-R462 PolarHBondContact O-N 3.44Å
461	G	91.5	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	69.3	-16.4	175.3	0	0	0	0	0	116.9	Q458 E459	Q458-G461 WeakPolarHBondContact O-CA 3.48Å; Q458-G461 PolarHBondContact O-N 2.83Å; E459-G461 VanDerWaalsContact C-N 3.26Å; E459-G461 PolarHBondContact O-N 3.42Å
462	R	93.9	Very high	94.8	Very high	117 Å²	117	31.3 Å²	31.3	44%	0.442	15%	0.146	S	C	.	.	S	Bend	trans	-69.3	-37.8	-174.6	-178.2	177.3	176.2	-170.8	-0	113.7	Q460 E477 L478 W483	Q460-R462 PolarHBondContact O-N 3.44Å; R462-E477 HydrophobicContact CG-CG 4.08Å; R462-E477 IonicContact CZ-OE1 2.78Å; R462-E477 IonicContact NE-OE1 2.74Å; R462-E477 PolarHBondContact NE-OE1 2.94Å; R462-E477 IonicContact NH2-OE1 3.94Å; R462-E477 PolarHBondContact NH2-OE1 3.01Å; R462-L478 PolarHBondContact O-N 2.71Å; R462-W483 HydrophobicContact CB-CD2 4.47Å; R462-W483 HydrophobicContact CB-CG 4.42Å
463	L	95.6	Very high	94.8	Very high	16 Å²	16	31.3 Å²	31.3	8%	0.084	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.3	-176.4	-57.6	179.7	0	0	0	111.4	I151 W169 P174 L200 Q458 L476 E477	I151-L463 HydrophobicContact CD1-CD2 3.28Å; W169-L463 HydrophobicContact CH2-CB 4.18Å; W169-L463 HydrophobicContact CH2-CD1 4.31Å; W169-L463 HydrophobicContact CZ2-CB 4.22Å; P174-L463 HydrophobicContact CB-CD1 3.88Å; L200-L463 HydrophobicContact CD1-CD1 4.25Å; Q458-L463 HydrophobicContact CB-CB 4Å; Q458-L463 WeakPolarHBondContact CB-O 3.44Å; Q458-L463 PolarHBondContact N-O 2.65Å; L463-L476 WeakPolarHBondContact CA-O 3.26Å; L463-E477 HydrophobicContact CD2-CB 4.33Å; L463-E477 HydrophobicContact CD2-CG 4.14Å
464	I	96.6	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.7	170.1	-167.7	170.2	0	0	0	109.3	F421 L429 L455 V457 I475 L476 L478	F421-I464 HydrophobicContact CB-CD1 3.96Å; F421-I464 HydrophobicContact CD1-CD1 3.71Å; F421-I464 HydrophobicContact CD2-CD1 4.26Å; F421-I464 HydrophobicContact CE1-CD1 4.25Å; F421-I464 HydrophobicContact CG-CD1 3.71Å; L429-I464 HydrophobicContact CD1-CD1 4.03Å; L429-I464 HydrophobicContact CD2-CD1 4.1Å; L429-I464 HydrophobicContact CD2-CG2 4.12Å; L455-I464 HydrophobicContact CD1-CD1 3.96Å; V457-I464 HydrophobicContact CG2-CB 4.36Å; V457-I464 HydrophobicContact CG2-CD1 3.75Å; V457-I464 HydrophobicContact CG2-CG1 3.81Å; I464-I475 WeakPolarHBondContact O-CA 3.31Å; I464-L476 HydrophobicContact CG2-CB 3.62Å; I464-L476 HydrophobicContact CG2-CD1 4.08Å; I464-L476 HydrophobicContact CG2-CG 4.45Å; I464-L476 PolarHBondContact N-O 3.49Å; I464-L476 PolarHBondContact O-N 3.02Å; I464-L478 HydrophobicContact CG2-CD2 3.98Å; I464-L478 HydrophobicContact CG2-CG 4.39Å
465	A	96.9	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139	173.7	0	0	0	0	0	109.2	L167 W169 L177 L455 K456 T474 I475	L167-A465 HydrophobicContact CD1-CB 3.85Å; W169-A465 HydrophobicContact CH2-CB 4.41Å; W169-A465 HydrophobicContact CZ2-CB 3.59Å; L177-A465 HydrophobicContact CD1-CB 4.31Å; L177-A465 HydrophobicContact CD2-CB 3.85Å; L455-A465 CarbonylContact C-O 3.5Å; L455-A465 VanDerWaalsContact CA-O 3.23Å; L455-A465 WeakPolarHBondContact CA-O 3.49Å; K456-A465 PolarHBondContact N-O 3.02Å; K456-A465 PolarHBondContact O-N 2.91Å; A465-T474 WeakPolarHBondContact CA-O 2.93Å; A465-I475 HydrophobicContact CB-CG1 4.28Å
466	T	97.4	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.3	179.2	55.5	0	0	0	0	109.3	T423 L429 I447 C454 L455 C473 T474	T423-T466 HydrophobicContact CG2-CG2 4.31Å; L429-T466 HydrophobicContact CD1-CG2 4.3Å; L429-T466 HydrophobicContact CD2-CG2 4.28Å; I447-T466 HydrophobicContact CD1-CG2 3.77Å; I447-T466 WeakPolarHBondContact CD1-OG1 3.37Å; C454-T466 WeakPolarHBondContact O-CA 3Å; L455-T466 HydrophobicContact CB-CG2 4.14Å; T466-C473 CarbonylContact O-C 3.56Å; T466-C473 VanDerWaalsContact O-CA 3.25Å; T466-C473 WeakPolarHBondContact O-CA 2.84Å; T466-T474 PolarHBondContact N-O 2.71Å; T466-T474 PolarHBondContact O-N 2.81Å; T466-T474 PolarHBondContact OG1-O 2.78Å
467	G	96.6	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	-178.4	0	0	0	0	0	111.7	L452 H453 C454	L452-G467 CarbonylContact C-O 3.59Å; L452-G467 WeakPolarHBondContact CA-O 3.31Å; H453-G467 PolarHBondContact N-O 3.3Å; C454-G467 PolarHBondContact O-N 2.76Å
468	S	95.7	Very high	94.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	164.5	177.6	74.9	0	0	0	0	112.8	V164 P451 S470 G471 I472	V164-S468 PolarHBondContact N-O 3.38Å; V164-S468 VanDerWaalsContact N-O 3.08Å; P451-S468 CarbonylContact O-C 3.5Å; P451-S468 WeakPolarHBondContact O-CA 3.43Å; S468-S470 VanDerWaalsContact C-N 3.27Å; S468-S470 PolarHBondContact O-N 2.98Å; S468-S470 PolarHBondContact OG-N 2.63Å; S468-S470 PolarHBondContact OG-OG 2.85Å; S468-G471 PolarHBondContact O-N 2.87Å; S468-I472 PolarHBondContact N-O 2.86Å; S468-I472 WeakPolarHBondContact OG-CB 3.11Å; S468-I472 PolarHBondContact OG-N 2.92Å; S468-I472 VanDerWaalsContact OG-N 3.13Å; S468-I472 PolarHBondContact OG-O 3.19Å; S468-I472 VanDerWaalsContact OG-O 3.09Å
469	H	93.7	Very high	94.7	Very high	58 Å²	58	29 Å²	29	27%	0.269	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.2	172.3	-168.9	68	0	0	0	113.8	S163 P451 H453 G471	S163-H469 WeakPolarHBondContact CA-O 3.46Å; S163-H469 PolarHBondContact N-O 3.06Å; P451-H469 HydrophobicContact CB-CB 4.4Å; P451-H469 HydrophobicContact CG-CB 4.49Å; P451-H469 PolarHBondContact O-N 3.46Å; H453-H469 AromaticContact CD2-ND1 3.87Å; H453-H469 WeakPolarHBondContact NE2-CB 3.41Å; H453-H469 AromaticContact NE2-CG 3.57Å; H453-H469 AromaticContact NE2-ND1 3.09Å; H453-H469 PolarHBondContact NE2-ND1 2.87Å; H469-G471 PolarHBondContact O-N 2.82Å
470	S	91.9	Very high	94.6	Very high	15 Å²	15	28 Å²	28	11%	0.105	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.8	176.9	22.6	0	0	0	0	115.4	E450 S468	E450-S470 WeakPolarHBondContact OE2-CA 3.44Å; E450-S470 WeakPolarHBondContact OE2-CB 3.45Å; E450-S470 PolarHBondContact OE2-N 2.83Å; E450-S470 PolarHBondContact OE2-OG 3.16Å; S468-S470 VanDerWaalsContact C-N 3.27Å; S468-S470 PolarHBondContact O-N 2.98Å; S468-S470 PolarHBondContact OG-N 2.63Å; S468-S470 PolarHBondContact OG-OG 2.85Å
471	G	92.3	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	89.7	21.3	-169.2	0	0	0	0	0	113.6	D156 R162 S468 H469	D156-G471 PolarHBondContact N-O 3.47Å; R162-G471 WeakPolarHBondContact O-CA 3.48Å; R162-G471 PolarHBondContact O-N 3.49Å; R162-G471 VanDerWaalsContact O-N 3.1Å; S468-G471 PolarHBondContact O-N 2.87Å; H469-G471 PolarHBondContact O-N 2.82Å
472	I	94.9	Very high	94.5	Very high	52 Å²	52	25.5 Å²	25.5	27%	0.267	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.7	176	-56.4	178.3	0	0	0	108.5	V153 K155 S468	V153-I472 HydrophobicContact CG1-CG2 3.25Å; K155-I472 HydrophobicContact CG-CG1 4.38Å; S468-I472 PolarHBondContact N-O 2.86Å; S468-I472 WeakPolarHBondContact OG-CB 3.11Å; S468-I472 PolarHBondContact OG-N 2.92Å; S468-I472 VanDerWaalsContact OG-N 3.13Å; S468-I472 PolarHBondContact OG-O 3.19Å; S468-I472 VanDerWaalsContact OG-O 3.09Å
473	C	96.1	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115	170.1	173.3	0	0	0	0	109.4	L154 V164 L167 L177 T466	L154-C473 HydrophobicContact CB-CB 4.17Å; L154-C473 PolarHBondContact N-O 3.45Å; L154-C473 PolarHBondContact O-N 3.24Å; V164-C473 HydrophobicContact CG2-CB 4.5Å; L167-C473 HydrophobicContact CD2-CB 4.46Å; L177-C473 VanDerWaalsContact CD2-SG 3.55Å; T466-C473 CarbonylContact O-C 3.56Å; T466-C473 VanDerWaalsContact O-CA 3.25Å; T466-C473 WeakPolarHBondContact O-CA 2.84Å
474	T	96.7	Very high	94.1	Very high	12 Å²	12	26.8 Å²	26.8	7%	0.074	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.8	-179.3	-57.2	0	0	0	0	110.3	T150 V153 I447 A465 T466 L476	T150-T474 HydrophobicContact CG2-CG2 3.56Å; V153-T474 HydrophobicContact CG2-CG2 4.35Å; I447-T474 HydrophobicContact CG2-CG2 3.76Å; A465-T474 WeakPolarHBondContact CA-O 2.93Å; T466-T474 PolarHBondContact N-O 2.71Å; T466-T474 PolarHBondContact O-N 2.81Å; T466-T474 PolarHBondContact OG1-O 2.78Å; T474-L476 HydrophobicContact CG2-CG 4.45Å
475	I	96.2	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.4	179.2	-58.9	172	0	0	0	108.9	T150 I151 N152 L154 W169 L177 L200 I464 A465	T150-I475 WeakPolarHBondContact CA-O 3.22Å; I151-I475 PolarHBondContact N-O 2.81Å; N152-I475 HydrophobicContact CB-CB 4.34Å; N152-I475 HydrophobicContact CB-CD1 4.19Å; N152-I475 PolarHBondContact O-N 3.38Å; L154-I475 HydrophobicContact CD1-CD1 3.87Å; L154-I475 HydrophobicContact CG-CD1 4.29Å; W169-I475 HydrophobicContact CH2-CD1 4.47Å; W169-I475 HydrophobicContact CH2-CG2 4.24Å; L177-I475 HydrophobicContact CD2-CD1 4.32Å; L200-I475 HydrophobicContact CD1-CD1 3.91Å; L200-I475 HydrophobicContact CD2-CD1 3.15Å; L200-I475 HydrophobicContact CG-CD1 4.17Å; I464-I475 WeakPolarHBondContact O-CA 3.31Å; A465-I475 HydrophobicContact CB-CG1 4.28Å
476	L	96.4	Very high	93.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140	-178.5	-64.9	158.6	0	0	0	110.4	A148 K149 T150 L429 I447 L463 I464 T474	A148-L476 HydrophobicContact CB-CB 4.39Å; K149-L476 CarbonylContact O-C 3.1Å; K149-L476 VanDerWaalsContact O-CA 3.29Å; K149-L476 WeakPolarHBondContact O-CA 3.16Å; T150-L476 VanDerWaalsContact OG1-CD2 3.3Å; T150-L476 WeakPolarHBondContact OG1-CD2 3.06Å; L429-L476 HydrophobicContact CD2-CD1 3.55Å; I447-L476 HydrophobicContact CD1-CD1 3.45Å; I447-L476 VanDerWaalsContact CD1-CD1 3.45Å; I447-L476 HydrophobicContact CG1-CD1 4.07Å; L463-L476 WeakPolarHBondContact CA-O 3.26Å; I464-L476 HydrophobicContact CG2-CB 3.62Å; I464-L476 HydrophobicContact CG2-CD1 4.08Å; I464-L476 HydrophobicContact CG2-CG 4.45Å; I464-L476 PolarHBondContact N-O 3.49Å; I464-L476 PolarHBondContact O-N 3.02Å; T474-L476 HydrophobicContact CG2-CG 4.45Å
477	E	95.5	Very high	93.1	Very high	54 Å²	54	43.3 Å²	43.3	25%	0.252	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128	165.8	-155	178.7	164.1	0	0	110	A148 K149 I151 R462 L463	A148-E477 CarbonylContact C-O 3.42Å; A148-E477 WeakPolarHBondContact CA-O 3.04Å; A148-E477 WeakPolarHBondContact CB-O 3.47Å; K149-E477 PolarHBondContact N-O 2.96Å; K149-E477 PolarHBondContact O-N 2.93Å; I151-E477 HydrophobicContact CD1-CB 3.47Å; I151-E477 VanDerWaalsContact CD1-CB 3.47Å; I151-E477 HydrophobicContact CD1-CG 3.91Å; I151-E477 HydrophobicContact CG1-CB 3.89Å; R462-E477 HydrophobicContact CG-CG 4.08Å; R462-E477 IonicContact CZ-OE1 2.78Å; R462-E477 IonicContact NE-OE1 2.74Å; R462-E477 PolarHBondContact NE-OE1 2.94Å; R462-E477 IonicContact NH2-OE1 3.94Å; R462-E477 PolarHBondContact NH2-OE1 3.01Å; L463-E477 HydrophobicContact CD2-CB 4.33Å; L463-E477 HydrophobicContact CD2-CG 4.14Å
478	L	94.9	Very high	92.9	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	142.7	176	-57	-177.8	0	0	0	111.1	A148 F421 I431 R462 I464 F482 W483	A148-L478 HydrophobicContact CB-CD2 3.77Å; F421-L478 HydrophobicContact CE1-CD1 3.59Å; F421-L478 HydrophobicContact CZ-CD1 3.56Å; I431-L478 HydrophobicContact CD1-CD2 3.65Å; R462-L478 PolarHBondContact O-N 2.71Å; I464-L478 HydrophobicContact CG2-CD2 3.98Å; I464-L478 HydrophobicContact CG2-CG 4.39Å; L478-F482 HydrophobicContact CB-CB 4.1Å; L478-F482 HydrophobicContact CB-CD2 4.49Å; L478-F482 HydrophobicContact CD1-CB 4.14Å; L478-W483 PolarHBondContact O-NE1 3.4Å
479	S	92.8	Very high	92.7	Very high	19 Å²	19	48.9 Å²	48.9	13%	0.133	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-58.1	152.4	168.7	58.1	0	0	0	0	111.4	S147 G481 F482	S147-S479 PolarHBondContact N-OG 3.01Å; S147-S479 WeakPolarHBondContact O-CB 3.37Å; S147-S479 PolarHBondContact O-N 3.24Å; S147-S479 PolarHBondContact O-OG 3.34Å; S479-G481 PolarHBondContact O-N 2.87Å; S479-F482 PolarHBondContact O-N 2.94Å; S479-F482 WeakPolarHBondContact OG-CD2 3.32Å
480	E	90.3	Very high	92.7	Very high	127 Å²	127	51 Å²	51	59%	0.593	26%	0.262	S	S	*	.	H	α-helix	trans	-50.4	-36.9	-176	-62.9	-166	170.3	0	0	113.7	F482 W483 N484	E480-F482 PolarHBondContact O-N 2.86Å; E480-W483 HydrophobicContact CG-CZ2 4.08Å; E480-W483 PolarHBondContact O-N 2.84Å; E480-N484 VanDerWaalsContact O-CB 3.22Å; E480-N484 WeakPolarHBondContact O-CB 3.39Å; E480-N484 PolarHBondContact O-N 3.19Å
481	G	88.4	Confident	92.9	Very high	49 Å²	49	53.7 Å²	53.7	51%	0.505	28%	0.281	S	S	.	.	H	α-helix	trans	-54.7	-25.2	177.7	0	0	0	0	0	114.7	R416 S479	R416-G481 PolarHBondContact NH1-O 3.03Å; S479-G481 PolarHBondContact O-N 2.87Å
482	F	91.6	Very high	93.1	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-94.1	-15.4	-177.4	-68.8	-56.4	0	0	0	115.4	P146 R416 V419 I431 A442 L443 L478 S479 E480	P146-F482 HydrophobicContact CB-CE1 4.42Å; P146-F482 HydrophobicContact CB-CE2 3.42Å; P146-F482 VanDerWaalsContact CB-CE2 3.42Å; P146-F482 HydrophobicContact CB-CZ 3.33Å; R416-F482 VanDerWaalsContact CD-O 3.31Å; R416-F482 WeakPolarHBondContact CD-O 3.48Å; V419-F482 HydrophobicContact CG1-CD1 4.48Å; I431-F482 HydrophobicContact CB-CE1 4.16Å; I431-F482 HydrophobicContact CB-CZ 4.21Å; I431-F482 HydrophobicContact CD1-CD2 3.99Å; I431-F482 HydrophobicContact CD1-CE2 3.86Å; I431-F482 HydrophobicContact CD1-CG 4.43Å; I431-F482 HydrophobicContact CD1-CZ 4.19Å; I431-F482 HydrophobicContact CG2-CD1 3.53Å; I431-F482 HydrophobicContact CG2-CE1 3.46Å; I431-F482 VanDerWaalsContact CG2-CE1 3.46Å; I431-F482 HydrophobicContact CG2-CE2 4.49Å; I431-F482 HydrophobicContact CG2-CG 4.1Å; I431-F482 HydrophobicContact CG2-CZ 3.97Å; A442-F482 HydrophobicContact CB-CE1 4.03Å; A442-F482 HydrophobicContact CB-CZ 4.3Å; L443-F482 HydrophobicContact CB-CE2 4.21Å; L443-F482 HydrophobicContact CB-CZ 3.82Å; L443-F482 HydrophobicContact CD2-CE2 3.77Å; L443-F482 HydrophobicContact CD2-CZ 4.25Å; L478-F482 HydrophobicContact CB-CB 4.1Å; L478-F482 HydrophobicContact CB-CD2 4.49Å; L478-F482 HydrophobicContact CD1-CB 4.14Å; S479-F482 PolarHBondContact O-N 2.94Å; S479-F482 WeakPolarHBondContact OG-CD2 3.32Å; E480-F482 PolarHBondContact O-N 2.86Å
483	W	91.7	Very high	93.2	Very high	72 Å²	72	55.7 Å²	55.7	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-124.4	-18	-178	66.8	-96.5	0	0	0	113.4	I415 R462 L478 E480	I415-W483 WeakPolarHBondContact CG2-O 3.22Å; R462-W483 HydrophobicContact CB-CD2 4.47Å; R462-W483 HydrophobicContact CB-CG 4.42Å; L478-W483 PolarHBondContact O-NE1 3.4Å; E480-W483 HydrophobicContact CG-CZ2 4.08Å; E480-W483 PolarHBondContact O-N 2.84Å
484	N	90.7	Very high	93.2	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	30%	0.304	S	S	.	.	S	Bend	trans	-85.9	119.7	172.7	-168.8	6.9	0	0	0	110.5	R416 E480 P486	R416-N484 WeakPolarHBondContact CD-O 3.32Å; E480-N484 VanDerWaalsContact O-CB 3.22Å; E480-N484 WeakPolarHBondContact O-CB 3.39Å; E480-N484 PolarHBondContact O-N 3.19Å; N484-P486 WeakPolarHBondContact O-CD 3.39Å
485	Q	89.7	Confident	93.2	Very high	67 Å²	67	59.8 Å²	59.8	31%	0.313	32%	0.323	S	S	.	.			trans	-84.3	114.6	-174.8	-169.6	-171.8	-3.4	0	0	111.8	I415 R416 E489	I415-Q485 HydrophobicContact CG2-CB 4.27Å; I415-Q485 PolarHBondContact O-OE1 2.92Å; R416-Q485 HydrophobicContact CG-CB 4.36Å; Q485-E489 HydrophobicContact CG-CB 4.24Å; Q485-E489 VanDerWaalsContact CG-OE2 3.26Å; Q485-E489 WeakPolarHBondContact CG-OE2 3.3Å
486	P	88.7	Confident	93.1	Very high	70 Å²	70	60.9 Å²	60.9	46%	0.455	33%	0.328	S	S	.	.			trans	-62.3	142.9	170.2	15.8	-24.9	0	0	0	112.3	N484 N488 E489	N484-P486 WeakPolarHBondContact O-CD 3.39Å; P486-N488 PolarHBondContact O-N 3.39Å; P486-N488 VanDerWaalsContact O-N 3.08Å; P486-E489 VanDerWaalsContact CD-OE2 3.28Å; P486-E489 WeakPolarHBondContact CD-OE2 3.48Å; P486-E489 HydrophobicContact CG-CB 4.02Å; P486-E489 HydrophobicContact CG-CG 4.39Å; P486-E489 VanDerWaalsContact O-CB 3.27Å; P486-E489 WeakPolarHBondContact O-CB 3.25Å; P486-E489 PolarHBondContact O-N 3.1Å
487	K	89.8	Confident	93.1	Very high	210 Å²	210	61 Å²	61	91%	0.913	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-34	-172.3	-67.7	-177.9	179.7	176.9	0	114.6
488	N	92.2	Very high	93.1	Very high	116 Å²	116	64.7 Å²	64.7	62%	0.62	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	0.8	-177	-64	-15.1	0	0	0	113.2	P486 K490 S491 L492	P486-N488 PolarHBondContact O-N 3.39Å; P486-N488 VanDerWaalsContact O-N 3.08Å; N488-K490 PolarHBondContact O-N 3.39Å; N488-S491 PolarHBondContact O-N 2.84Å; N488-S491 PolarHBondContact O-OG 2.78Å; N488-L492 WeakPolarHBondContact O-CG 3.42Å; N488-L492 PolarHBondContact O-N 3.29Å
489	E	92.9	Very high	93.2	Very high	3 Å²	3	71.1 Å²	71.1	1%	0.014	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-46.7	-173.7	-162.2	-179.8	174.4	0	0	111.8	R416 P417 A418 I435 Q485 P486 S491 L492 V493	R416-E489 IonicContact CZ-OE1 2.84Å; R416-E489 VanDerWaalsContact CZ-OE1 3.32Å; R416-E489 IonicContact CZ-OE2 3.08Å; R416-E489 IonicContact NE-OE1 3.87Å; R416-E489 PolarHBondContact NE-OE1 2.86Å; R416-E489 VanDerWaalsContact NE-OE1 3.14Å; R416-E489 IonicContact NE-OE2 3.91Å; R416-E489 PolarHBondContact NE-OE2 2.93Å; R416-E489 VanDerWaalsContact NH2-CD 3.25Å; R416-E489 IonicContact NH2-OE1 2.81Å; R416-E489 PolarHBondContact NH2-OE1 3.47Å; R416-E489 IonicContact NH2-OE2 3.32Å; P417-E489 HydrophobicContact CG-CG 4.2Å; A418-E489 HydrophobicContact CB-CG 4.26Å; A418-E489 WeakPolarHBondContact CB-OE1 3.4Å; A418-E489 PolarHBondContact N-OE1 3.46Å; I435-E489 HydrophobicContact CD1-CG 3.64Å; Q485-E489 HydrophobicContact CG-CB 4.24Å; Q485-E489 VanDerWaalsContact CG-OE2 3.26Å; Q485-E489 WeakPolarHBondContact CG-OE2 3.3Å; P486-E489 VanDerWaalsContact CD-OE2 3.28Å; P486-E489 WeakPolarHBondContact CD-OE2 3.48Å; P486-E489 HydrophobicContact CG-CB 4.02Å; P486-E489 HydrophobicContact CG-CG 4.39Å; P486-E489 VanDerWaalsContact O-CB 3.27Å; P486-E489 WeakPolarHBondContact O-CB 3.25Å; P486-E489 PolarHBondContact O-N 3.1Å; E489-S491 VanDerWaalsContact C-N 3.33Å; E489-S491 PolarHBondContact O-N 2.65Å; E489-L492 PolarHBondContact O-N 3.04Å; E489-V493 HydrophobicContact CG-CG2 4.4Å; E489-V493 WeakPolarHBondContact O-CG2 3.35Å; E489-V493 PolarHBondContact O-N 3.15Å
490	K	94.3	Very high	93.3	Very high	102 Å²	102	71.2 Å²	71.2	44%	0.443	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-42.4	-175.8	-170.7	175.9	-177.8	175.8	0	111.7	F373 N488 V493 T494	F373-K490 HydrophobicContact CZ-CG 3.9Å; N488-K490 PolarHBondContact O-N 3.39Å; K490-V493 PolarHBondContact O-N 3.1Å; K490-T494 PolarHBondContact O-N 3.16Å; K490-T494 PolarHBondContact O-OG1 3.04Å
491	S	95.7	Very high	93.5	Very high	71 Å²	71	66.3 Å²	66.3	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-37.7	178.6	53.7	0	0	0	0	112.2	N488 E489 T494 A495	N488-S491 PolarHBondContact O-N 2.84Å; N488-S491 PolarHBondContact O-OG 2.78Å; E489-S491 VanDerWaalsContact C-N 3.33Å; E489-S491 PolarHBondContact O-N 2.65Å; S491-T494 PolarHBondContact O-N 3.17Å; S491-A495 WeakPolarHBondContact O-CB 2.96Å; S491-A495 PolarHBondContact O-N 3.16Å
492	L	96.2	Very high	93.9	Very high	95 Å²	95	69.6 Å²	69.6	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-44.6	174.6	-68.2	172.5	0	0	0	111.9	I435 N488 E489 A495 M496	I435-L492 HydrophobicContact CD1-CB 3.92Å; I435-L492 HydrophobicContact CD1-CD1 4.5Å; I435-L492 HydrophobicContact CG2-CD1 4.5Å; N488-L492 WeakPolarHBondContact O-CG 3.42Å; N488-L492 PolarHBondContact O-N 3.29Å; E489-L492 PolarHBondContact O-N 3.04Å; L492-A495 PolarHBondContact O-N 3.05Å; L492-M496 WeakPolarHBondContact O-CB 3.17Å; L492-M496 PolarHBondContact O-N 3.31Å
493	V	96.1	Very high	94.1	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-43.6	175.7	178.7	0	0	0	0	111.1	F373 P417 A418 I435 E489 K490 A495 M496 F497	F373-V493 HydrophobicContact CD2-CG1 3.95Å; F373-V493 HydrophobicContact CE2-CB 3.89Å; F373-V493 HydrophobicContact CE2-CG1 3.45Å; F373-V493 VanDerWaalsContact CE2-CG1 3.45Å; F373-V493 HydrophobicContact CZ-CB 4.29Å; F373-V493 HydrophobicContact CZ-CG1 4.16Å; P417-V493 HydrophobicContact CB-CG2 4.27Å; P417-V493 HydrophobicContact CG-CG2 4.17Å; A418-V493 HydrophobicContact CB-CG2 3.65Å; I435-V493 HydrophobicContact CD1-CG2 3.63Å; I435-V493 HydrophobicContact CG1-CG2 4.26Å; E489-V493 HydrophobicContact CG-CG2 4.4Å; E489-V493 WeakPolarHBondContact O-CG2 3.35Å; E489-V493 PolarHBondContact O-N 3.15Å; K490-V493 PolarHBondContact O-N 3.1Å; V493-A495 PolarHBondContact O-N 2.65Å; V493-M496 PolarHBondContact O-N 2.88Å; V493-F497 HydrophobicContact CG1-CD2 3.49Å; V493-F497 VanDerWaalsContact CG1-CD2 3.49Å; V493-F497 HydrophobicContact CG1-CE1 4.42Å; V493-F497 HydrophobicContact CG1-CE2 3.23Å; V493-F497 HydrophobicContact CG1-CG 4.23Å; V493-F497 HydrophobicContact CG1-CZ 3.75Å; V493-F497 PolarHBondContact O-N 2.91Å
494	T	96.3	Very high	94.2	Very high	41 Å²	41	73.7 Å²	73.7	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-55.7	-52	175.1	-59.2	0	0	0	0	110.9	F373 K490 S491 M496 F497 E498	F373-T494 WeakPolarHBondContact CE1-OG1 3.25Å; F373-T494 VanDerWaalsContact CZ-OG1 3.25Å; F373-T494 WeakPolarHBondContact CZ-OG1 3.42Å; K490-T494 PolarHBondContact O-N 3.16Å; K490-T494 PolarHBondContact O-OG1 3.04Å; S491-T494 PolarHBondContact O-N 3.17Å; T494-M496 VanDerWaalsContact C-N 3.29Å; T494-M496 PolarHBondContact O-N 3.13Å; T494-F497 PolarHBondContact O-N 3.08Å; T494-E498 HydrophobicContact CG2-CG 4.33Å; T494-E498 WeakPolarHBondContact CG2-OE1 3Å; T494-E498 WeakPolarHBondContact O-CB 3.35Å; T494-E498 WeakPolarHBondContact O-CG 3.32Å; T494-E498 PolarHBondContact O-N 3.24Å
495	A	96.2	Very high	94.4	Very high	57 Å²	57	76.1 Å²	76.1	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-37.7	-179.7	0	0	0	0	0	112.2	S491 L492 V493 R499	S491-A495 WeakPolarHBondContact O-CB 2.96Å; S491-A495 PolarHBondContact O-N 3.16Å; L492-A495 PolarHBondContact O-N 3.05Å; V493-A495 PolarHBondContact O-N 2.65Å; A495-R499 VanDerWaalsContact O-CB 3.23Å; A495-R499 WeakPolarHBondContact O-CB 3.49Å; A495-R499 PolarHBondContact O-N 2.9Å
496	M	95.6	Very high	94.6	Very high	22 Å²	22	77.3 Å²	77.3	11%	0.108	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-52	175.8	-176.9	179	-68.4	0	0	111.6	M398 I434 I435 Q438 L492 V493 T494 E498 R499 E500	M398-M496 HydrophobicContact CE-SD 4.14Å; M398-M496 HydrophobicContact SD-CG 4.3Å; M398-M496 HydrophobicContact SD-SD 3.96Å; I434-M496 HydrophobicContact CB-SD 4.4Å; I434-M496 HydrophobicContact CD1-SD 4.16Å; I434-M496 HydrophobicContact CG1-SD 4.11Å; I435-M496 HydrophobicContact CG1-CE 4.44Å; Q438-M496 VanDerWaalsContact NE2-CE 3.32Å; L492-M496 WeakPolarHBondContact O-CB 3.17Å; L492-M496 PolarHBondContact O-N 3.31Å; V493-M496 PolarHBondContact O-N 2.88Å; T494-M496 VanDerWaalsContact C-N 3.29Å; T494-M496 PolarHBondContact O-N 3.13Å; M496-E498 PolarHBondContact O-N 3.02Å; M496-R499 PolarHBondContact O-N 3.5Å; M496-E500 WeakPolarHBondContact O-CG 3.46Å; M496-E500 PolarHBondContact O-N 2.76Å
497	F	96.3	Very high	94.8	Very high	6 Å²	6	76.9 Å²	76.9	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-40.1	-179	-71.9	-26.1	0	0	0	112.6	F373 N376 I387 I397 W412 I434 V493 T494 T501	F373-F497 HydrophobicContact CB-CD2 4.45Å; F373-F497 HydrophobicContact CB-CE2 4.35Å; F373-F497 HydrophobicContact CD2-CD2 4.11Å; F373-F497 AromaticContact CD2-CE2 3.85Å; F373-F497 HydrophobicContact CD2-CE2 3.85Å; F373-F497 HydrophobicContact CE2-CE2 4.45Å; F373-F497 HydrophobicContact CG-CD2 4.19Å; F373-F497 HydrophobicContact CG-CE2 4.24Å; N376-F497 HydrophobicContact CB-CD2 4.49Å; N376-F497 HydrophobicContact CB-CE2 4.29Å; N376-F497 WeakPolarHBondContact ND2-CD2 3.5Å; N376-F497 WeakPolarHBondContact ND2-CG 3.44Å; I387-F497 HydrophobicContact CG2-CE1 4.08Å; I387-F497 HydrophobicContact CG2-CZ 4.43Å; I397-F497 HydrophobicContact CD1-CD1 3.73Å; I397-F497 HydrophobicContact CD1-CE1 4.22Å; I397-F497 HydrophobicContact CD1-CG 4.41Å; W412-F497 HydrophobicContact CH2-CZ 4.37Å; I434-F497 HydrophobicContact CD1-CE1 3.95Å; I434-F497 HydrophobicContact CD1-CZ 4.01Å; V493-F497 HydrophobicContact CG1-CD2 3.49Å; V493-F497 VanDerWaalsContact CG1-CD2 3.49Å; V493-F497 HydrophobicContact CG1-CE1 4.42Å; V493-F497 HydrophobicContact CG1-CE2 3.23Å; V493-F497 HydrophobicContact CG1-CG 4.23Å; V493-F497 HydrophobicContact CG1-CZ 3.75Å; V493-F497 PolarHBondContact O-N 2.91Å; T494-F497 PolarHBondContact O-N 3.08Å; F497-T501 WeakPolarHBondContact O-CB 3.48Å; F497-T501 PolarHBondContact O-N 2.76Å; F497-T501 PolarHBondContact O-OG1 3.36Å
498	E	95.6	Very high	94.8	Very high	130 Å²	130	67.9 Å²	67.9	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-62.8	-42.7	174.7	-73.5	177.7	175	0	0	111.6	T494 M496 H502	T494-E498 HydrophobicContact CG2-CG 4.33Å; T494-E498 WeakPolarHBondContact CG2-OE1 3Å; T494-E498 WeakPolarHBondContact O-CB 3.35Å; T494-E498 WeakPolarHBondContact O-CG 3.32Å; T494-E498 PolarHBondContact O-N 3.24Å; M496-E498 PolarHBondContact O-N 3.02Å; E498-H502 VanDerWaalsContact O-CB 3.24Å; E498-H502 WeakPolarHBondContact O-CB 3.41Å; E498-H502 PolarHBondContact O-N 2.84Å
499	R	95.7	Very high	94.8	Very high	140 Å²	140	65.1 Å²	65.1	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-50.8	177.3	-175.9	-172.4	71.5	-163.2	0.1	112	A495 M496 H502 R503	A495-R499 VanDerWaalsContact O-CB 3.23Å; A495-R499 WeakPolarHBondContact O-CB 3.49Å; A495-R499 PolarHBondContact O-N 2.9Å; M496-R499 PolarHBondContact O-N 3.5Å; R499-H502 PolarHBondContact O-N 2.91Å; R499-R503 WeakPolarHBondContact O-CB 3.47Å; R499-R503 PolarHBondContact O-N 3.33Å
500	E	95.1	Very high	94.8	Very high	21 Å²	21	72.4 Å²	72.4	10%	0.098	35%	0.353	C	S	.	.	H	α-helix	trans	-68	-38.3	-179.4	-60.9	-47.1	138.9	0	0	111.5	I397 M398 M496 H502 R503 E504	I397-E500 HydrophobicContact CB-CB 4.03Å; M398-E500 HydrophobicContact CG-CG 4.03Å; M398-E500 HydrophobicContact SD-CG 4.27Å; M496-E500 WeakPolarHBondContact O-CG 3.46Å; M496-E500 PolarHBondContact O-N 2.76Å; E500-H502 VanDerWaalsContact C-N 3.35Å; E500-H502 PolarHBondContact O-N 2.92Å; E500-R503 WeakPolarHBondContact O-CB 3.33Å; E500-R503 PolarHBondContact O-N 2.94Å; E500-R503 IonicContact OE2-NH1 2.62Å; E500-E504 PolarHBondContact O-N 2.76Å
501	T	95.4	Very high	94.6	Very high	23 Å²	23	71.1 Å²	71.1	14%	0.141	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-42.2	174.6	-57.2	0	0	0	0	111.3	D391 I392 F497 K505	D391-T501 HydrophobicContact CB-CG2 4.47Å; I392-T501 HydrophobicContact CD1-CG2 3.68Å; I392-T501 HydrophobicContact CG1-CG2 4.22Å; F497-T501 WeakPolarHBondContact O-CB 3.48Å; F497-T501 PolarHBondContact O-N 2.76Å; F497-T501 PolarHBondContact O-OG1 3.36Å; T501-K505 WeakPolarHBondContact O-CB 3.49Å; T501-K505 PolarHBondContact O-N 2.79Å
502	H	95.6	Very high	94.4	Very high	119 Å²	119	74 Å²	74	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-64.5	-42.6	176.8	-175.9	64	0	0	0	112	E498 R499 E500 K505 I506	E498-H502 VanDerWaalsContact O-CB 3.24Å; E498-H502 WeakPolarHBondContact O-CB 3.41Å; E498-H502 PolarHBondContact O-N 2.84Å; R499-H502 PolarHBondContact O-N 2.91Å; E500-H502 VanDerWaalsContact C-N 3.35Å; E500-H502 PolarHBondContact O-N 2.92Å; H502-K505 PolarHBondContact O-N 3.03Å; H502-I506 WeakPolarHBondContact O-CG1 3.44Å; H502-I506 PolarHBondContact O-N 2.92Å; H502-I506 VanDerWaalsContact O-N 3.1Å
503	R	95.9	Very high	94.2	Very high	146 Å²	146	75.9 Å²	75.9	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-58.8	-52.3	176.3	177.3	-173.8	173.8	169.6	1.3	111.6	R499 E500 K505 I506 L507	R499-R503 WeakPolarHBondContact O-CB 3.47Å; R499-R503 PolarHBondContact O-N 3.33Å; E500-R503 WeakPolarHBondContact O-CB 3.33Å; E500-R503 PolarHBondContact O-N 2.94Å; E500-R503 IonicContact OE2-NH1 2.62Å; R503-K505 VanDerWaalsContact C-N 3.3Å; R503-K505 PolarHBondContact O-N 2.95Å; R503-I506 WeakPolarHBondContact O-CB 3.13Å; R503-I506 PolarHBondContact O-N 2.8Å; R503-I506 VanDerWaalsContact O-N 3.14Å; R503-L507 HydrophobicContact CG-CD1 4.43Å; R503-L507 WeakPolarHBondContact O-CG 2.85Å; R503-L507 PolarHBondContact O-N 3.14Å; R503-L507 VanDerWaalsContact O-N 3.08Å
504	E	94.6	Very high	94	Very high	19 Å²	19	79.3 Å²	79.3	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-36.6	-179.9	-75.4	-55.7	130.5	0	0	111.9	I392 S395 I397 E500 I506 L507 E508	I392-E504 HydrophobicContact CD1-CB 3.46Å; I392-E504 VanDerWaalsContact CD1-CB 3.46Å; I392-E504 HydrophobicContact CD1-CG 4.33Å; I392-E504 HydrophobicContact CG1-CB 4.39Å; I392-E504 HydrophobicContact CG2-CB 4.43Å; S395-E504 WeakPolarHBondContact CB-OE2 3.35Å; S395-E504 PolarHBondContact OG-OE2 3.36Å; I397-E504 HydrophobicContact CG2-CG 4.4Å; E500-E504 PolarHBondContact O-N 2.76Å; E504-I506 VanDerWaalsContact C-N 3.32Å; E504-I506 PolarHBondContact O-N 2.98Å; E504-L507 PolarHBondContact O-N 2.86Å; E504-L507 VanDerWaalsContact O-N 3.14Å; E504-E508 WeakPolarHBondContact O-CB 3.28Å; E504-E508 PolarHBondContact O-N 3.04Å
505	K	93.5	Very high	93.7	Very high	140 Å²	140	82.8 Å²	82.8	61%	0.609	39%	0.387	S	S	*	.	H	α-helix	trans	-61.1	-37.9	173.5	-172.7	175.9	-178.4	176.2	0	112.9	T501 H502 R503 A509	T501-K505 WeakPolarHBondContact O-CB 3.49Å; T501-K505 PolarHBondContact O-N 2.79Å; H502-K505 PolarHBondContact O-N 3.03Å; R503-K505 VanDerWaalsContact C-N 3.3Å; R503-K505 PolarHBondContact O-N 2.95Å; K505-A509 WeakPolarHBondContact O-CB 3.43Å; K505-A509 PolarHBondContact O-N 3.44Å
506	I	94.5	Very high	93.4	Very high	92 Å²	92	84.8 Å²	84.8	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-43.2	174.1	-67.6	165	0	0	0	110.3	H502 R503 E504 A509 R510	H502-I506 WeakPolarHBondContact O-CG1 3.44Å; H502-I506 PolarHBondContact O-N 2.92Å; H502-I506 VanDerWaalsContact O-N 3.1Å; R503-I506 WeakPolarHBondContact O-CB 3.13Å; R503-I506 PolarHBondContact O-N 2.8Å; R503-I506 VanDerWaalsContact O-N 3.14Å; E504-I506 VanDerWaalsContact C-N 3.32Å; E504-I506 PolarHBondContact O-N 2.98Å; I506-A509 PolarHBondContact O-N 3.28Å; I506-R510 WeakPolarHBondContact O-CB 3.19Å; I506-R510 PolarHBondContact O-N 3.39Å
507	L	93.1	Very high	93.2	Very high	61 Å²	61	93.2 Å²	93.2	32%	0.319	42%	0.42	S	S	.	.	H	α-helix	trans	-65.1	-42.6	178.8	-66.2	176.5	0	0	0	111.8	R503 E504 R510 N511	R503-L507 HydrophobicContact CG-CD1 4.43Å; R503-L507 WeakPolarHBondContact O-CG 2.85Å; R503-L507 PolarHBondContact O-N 3.14Å; R503-L507 VanDerWaalsContact O-N 3.08Å; E504-L507 PolarHBondContact O-N 2.86Å; E504-L507 VanDerWaalsContact O-N 3.14Å; L507-R510 PolarHBondContact O-N 3.45Å; L507-N511 WeakPolarHBondContact O-CB 3.49Å; L507-N511 VanDerWaalsContact O-CG 3.26Å; L507-N511 PolarHBondContact O-N 3.03Å; L507-N511 PolarHBondContact O-ND2 3.44Å
508	E	89.6	Confident	92.8	Very high	22 Å²	22	99.4 Å²	99.4	10%	0.103	45%	0.447	C	S	.	.	H	α-helix	trans	-60.1	-46.3	174.6	-172.6	-177.8	-171.2	0	0	111.1	E394 E504 R510 N511 R512	E394-E508 HydrophobicContact CG-CG 4.42Å; E504-E508 WeakPolarHBondContact O-CB 3.28Å; E504-E508 PolarHBondContact O-N 3.04Å; E508-R510 PolarHBondContact O-N 3.28Å; E508-N511 PolarHBondContact O-N 3.09Å; E508-R512 VanDerWaalsContact CD-NH2 3.33Å; E508-R512 VanDerWaalsContact O-CG 3.31Å; E508-R512 WeakPolarHBondContact O-CG 3.44Å; E508-R512 PolarHBondContact O-N 3.4Å; E508-R512 IonicContact OE1-CZ 3.2Å; E508-R512 IonicContact OE1-NE 3.98Å; E508-R512 IonicContact OE1-NH2 3.04Å; E508-R512 PolarHBondContact OE1-NH2 2.92Å; E508-R512 IonicContact OE2-NH2 3.44Å
509	A	91.7	Very high	92.3	Very high	57 Å²	57	99 Å²	99	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175.7	0	0	0	0	0	112	K505 I506 R512 E513	K505-A509 WeakPolarHBondContact O-CB 3.43Å; K505-A509 PolarHBondContact O-N 3.44Å; I506-A509 PolarHBondContact O-N 3.28Å; A509-R512 PolarHBondContact O-N 3.38Å; A509-E513 PolarHBondContact O-N 3.37Å
510	R	93.3	Very high	91.8	Very high	156 Å²	156	100 Å²	100	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-62.6	-43	175.6	-174.4	-177.8	-178.8	-172.7	0.4	111.9	I506 L507 E508 R512 E513 I514	I506-R510 WeakPolarHBondContact O-CB 3.19Å; I506-R510 PolarHBondContact O-N 3.39Å; L507-R510 PolarHBondContact O-N 3.45Å; E508-R510 PolarHBondContact O-N 3.28Å; R510-R512 VanDerWaalsContact C-N 3.34Å; R510-R512 PolarHBondContact O-N 3.02Å; R510-E513 WeakPolarHBondContact O-CB 3.35Å; R510-E513 PolarHBondContact O-N 2.93Å; R510-I514 HydrophobicContact CG-CD1 4.09Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.49Å; R510-I514 PolarHBondContact O-N 3.27Å
511	N	90.8	Very high	91.1	Very high	76 Å²	76	101.4 Å²	101.4	41%	0.406	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-39.3	177.9	-76.6	-19.2	0	0	0	111.6	L507 E508 I514 K515	L507-N511 WeakPolarHBondContact O-CB 3.49Å; L507-N511 VanDerWaalsContact O-CG 3.26Å; L507-N511 PolarHBondContact O-N 3.03Å; L507-N511 PolarHBondContact O-ND2 3.44Å; E508-N511 PolarHBondContact O-N 3.09Å; N511-I514 PolarHBondContact O-N 3.03Å; N511-K515 WeakPolarHBondContact O-CG 3.2Å; N511-K515 PolarHBondContact O-N 3.4Å
512	R	90.5	Very high	90	Very high	131 Å²	131	106.3 Å²	106.3	49%	0.494	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-42.4	173.1	-70.8	174.1	-174.6	-177.8	3.9	111.8	E508 A509 R510 K515 L516	E508-R512 VanDerWaalsContact CD-NH2 3.33Å; E508-R512 VanDerWaalsContact O-CG 3.31Å; E508-R512 WeakPolarHBondContact O-CG 3.44Å; E508-R512 PolarHBondContact O-N 3.4Å; E508-R512 IonicContact OE1-CZ 3.2Å; E508-R512 IonicContact OE1-NE 3.98Å; E508-R512 IonicContact OE1-NH2 3.04Å; E508-R512 PolarHBondContact OE1-NH2 2.92Å; E508-R512 IonicContact OE2-NH2 3.44Å; A509-R512 PolarHBondContact O-N 3.38Å; R510-R512 VanDerWaalsContact C-N 3.34Å; R510-R512 PolarHBondContact O-N 3.02Å; R512-K515 PolarHBondContact O-N 3.47Å; R512-L516 WeakPolarHBondContact O-CB 3.47Å; R512-L516 WeakPolarHBondContact O-CG 3.17Å; R512-L516 PolarHBondContact O-N 3.2Å
513	E	92.1	Very high	88.4	Confident	135 Å²	135	102 Å²	102	63%	0.631	48%	0.477	S	S	*	.	H	α-helix	trans	-62.5	-44	175.4	-170.9	-175.6	169.8	0	0	111.9	A509 R510 K515 L516 R517	A509-E513 PolarHBondContact O-N 3.37Å; R510-E513 WeakPolarHBondContact O-CB 3.35Å; R510-E513 PolarHBondContact O-N 2.93Å; E513-K515 PolarHBondContact O-N 2.91Å; E513-L516 PolarHBondContact O-N 3.27Å; E513-R517 WeakPolarHBondContact O-CB 3.22Å; E513-R517 PolarHBondContact O-N 3.32Å
514	I	91.7	Very high	86.4	Confident	72 Å²	72	99 Å²	99	37%	0.369	48%	0.475	S	S	.	.	H	α-helix	trans	-61.2	-44.1	175.9	-67.7	165.7	0	0	0	110.7	R510 N511 R517 K518	R510-I514 HydrophobicContact CG-CD1 4.09Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.49Å; R510-I514 PolarHBondContact O-N 3.27Å; N511-I514 PolarHBondContact O-N 3.03Å; I514-R517 PolarHBondContact O-N 2.71Å; I514-K518 HydrophobicContact CG2-CD 4.42Å; I514-K518 WeakPolarHBondContact O-CG 3.18Å; I514-K518 PolarHBondContact O-N 3.47Å
515	K	91.1	Very high	84.4	Confident	114 Å²	114	103.3 Å²	103.3	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-61	-46	176.1	-74.4	172.8	-177.8	173.1	0	111.5	N511 R512 E513 R517 K518 Q519	N511-K515 WeakPolarHBondContact O-CG 3.2Å; N511-K515 PolarHBondContact O-N 3.4Å; R512-K515 PolarHBondContact O-N 3.47Å; E513-K515 PolarHBondContact O-N 2.91Å; K515-R517 VanDerWaalsContact C-N 3.34Å; K515-R517 PolarHBondContact O-N 3.32Å; K515-K518 PolarHBondContact O-N 3.02Å; K515-Q519 WeakPolarHBondContact O-CG 3.44Å; K515-Q519 PolarHBondContact O-N 3.08Å
516	L	90.5	Very high	82.3	Confident	98 Å²	98	102.8 Å²	102.8	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-38.5	176.2	-76	165.1	0	0	0	112.3	R512 E513 Q519 K520	R512-L516 WeakPolarHBondContact O-CB 3.47Å; R512-L516 WeakPolarHBondContact O-CG 3.17Å; R512-L516 PolarHBondContact O-N 3.2Å; E513-L516 PolarHBondContact O-N 3.27Å; L516-Q519 PolarHBondContact O-N 3.22Å; L516-K520 WeakPolarHBondContact O-CB 3.47Å; L516-K520 WeakPolarHBondContact O-CG 3.38Å; L516-K520 PolarHBondContact O-N 3.47Å
517	R	90.4	Very high	80.3	Confident	199 Å²	199	103.7 Å²	103.7	75%	0.751	51%	0.509	S	S	*	.	H	α-helix	trans	-67.3	-40.3	176.3	-173	175.5	176.1	-178.3	-2.1	111.9	E513 I514 K515 K520 A521	E513-R517 WeakPolarHBondContact O-CB 3.22Å; E513-R517 PolarHBondContact O-N 3.32Å; I514-R517 PolarHBondContact O-N 2.71Å; K515-R517 VanDerWaalsContact C-N 3.34Å; K515-R517 PolarHBondContact O-N 3.32Å; R517-K520 PolarHBondContact O-N 2.78Å; R517-A521 WeakPolarHBondContact O-CB 3.21Å; R517-A521 PolarHBondContact O-N 3.16Å
518	K	88.7	Confident	78.1	Confident	136 Å²	136	104.7 Å²	104.7	59%	0.591	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-43.5	173.8	-73.9	-176.8	177.8	-171.9	0	111.8	I514 K515 A521 Q522	I514-K518 HydrophobicContact CG2-CD 4.42Å; I514-K518 WeakPolarHBondContact O-CG 3.18Å; I514-K518 PolarHBondContact O-N 3.47Å; K515-K518 PolarHBondContact O-N 3.02Å; K518-A521 PolarHBondContact O-N 3.13Å; K518-Q522 WeakPolarHBondContact O-CB 3.44Å; K518-Q522 WeakPolarHBondContact O-CG 3.44Å; K518-Q522 PolarHBondContact O-N 2.94Å
519	Q	85.1	Confident	76.2	Confident	123 Å²	123	104.8 Å²	104.8	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-39	175.2	-75	177.8	-6.4	0	0	112.3	K515 L516 Q522 G523	K515-Q519 WeakPolarHBondContact O-CG 3.44Å; K515-Q519 PolarHBondContact O-N 3.08Å; L516-Q519 PolarHBondContact O-N 3.22Å; Q519-Q522 PolarHBondContact O-N 3Å; Q519-G523 PolarHBondContact O-N 3.14Å
520	K	84.3	Confident	74.2	Confident	160 Å²	160	106.4 Å²	106.4	70%	0.696	53%	0.526	S	S	*	.	H	α-helix	trans	-66.5	-40.8	174	-76.8	-178.2	179.7	-175.8	0	112.2	L516 R517 G523 T524	L516-K520 WeakPolarHBondContact O-CB 3.47Å; L516-K520 WeakPolarHBondContact O-CG 3.38Å; L516-K520 PolarHBondContact O-N 3.47Å; R517-K520 PolarHBondContact O-N 2.78Å; K520-G523 PolarHBondContact O-N 3.14Å; K520-T524 PolarHBondContact O-N 3.33Å; K520-T524 PolarHBondContact O-OG1 2.91Å
521	A	80.5	Confident	72	Confident	51 Å²	51	101.2 Å²	101.2	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-45.4	175.1	0	0	0	0	0	111.1	R517 K518 T524 D525	R517-A521 WeakPolarHBondContact O-CB 3.21Å; R517-A521 PolarHBondContact O-N 3.16Å; K518-A521 PolarHBondContact O-N 3.13Å; A521-T524 WeakPolarHBondContact CA-OG1 3.39Å; A521-T524 PolarHBondContact O-N 3.07Å; A521-T524 PolarHBondContact O-OG1 2.65Å; A521-D525 PolarHBondContact O-N 2.74Å
522	Q	72.6	Confident	70.1	Confident	125 Å²	125	103.7 Å²	103.7	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-65.5	-35.6	174.3	-73.2	175.1	-22.1	0	0	112.8	K518 Q519 D525 E526	K518-Q522 WeakPolarHBondContact O-CB 3.44Å; K518-Q522 WeakPolarHBondContact O-CG 3.44Å; K518-Q522 PolarHBondContact O-N 2.94Å; Q519-Q522 PolarHBondContact O-N 3Å; Q522-D525 CarbonylContact O-C 3.6Å; Q522-D525 PolarHBondContact O-N 2.78Å; Q522-E526 WeakPolarHBondContact O-CB 3.37Å; Q522-E526 WeakPolarHBondContact O-CG 3.49Å; Q522-E526 PolarHBondContact O-N 3.43Å
523	G	61.6	Low	68.1	Low	28 Å²	28	102.5 Å²	102.5	29%	0.289	53%	0.53	S	S	.	.	H	α-helix	trans	-73.8	-28.3	176.9	0	0	0	0	0	114.1	Q519 K520 T527	Q519-G523 PolarHBondContact O-N 3.14Å; K520-G523 PolarHBondContact O-N 3.14Å; G523-T527 PolarHBondContact O-N 3.31Å; G523-T527 VanDerWaalsContact O-N 3.07Å; G523-T527 PolarHBondContact O-OG1 3.17Å
524	T	54.4	Low	66.2	Low	84 Å²	84	103.5 Å²	103.5	52%	0.515	54%	0.535	S	S	.	.	H	α-helix	trans	-69.2	-41.1	166.6	26.8	0	0	0	0	110.9	K520 A521 E526 T527 T528	K520-T524 PolarHBondContact O-N 3.33Å; K520-T524 PolarHBondContact O-OG1 2.91Å; A521-T524 WeakPolarHBondContact CA-OG1 3.39Å; A521-T524 PolarHBondContact O-N 3.07Å; A521-T524 PolarHBondContact O-OG1 2.65Å; T524-E526 VanDerWaalsContact C-N 3.32Å; T524-E526 PolarHBondContact O-N 3.03Å; T524-T527 PolarHBondContact O-N 3Å; T524-T527 PolarHBondContact O-OG1 3.37Å; T524-T528 PolarHBondContact O-N 3.43Å; T524-T528 PolarHBondContact O-OG1 3.25Å
525	D	52.2	Low	64.4	Low	110 Å²	110	106.3 Å²	106.3	59%	0.588	55%	0.55	S	S	*	.	H	α-helix	trans	-63.6	-39.4	174	-72.2	-18.2	0	0	0	110.7	A521 Q522 T527 T528 A529	A521-D525 PolarHBondContact O-N 2.74Å; Q522-D525 CarbonylContact O-C 3.6Å; Q522-D525 PolarHBondContact O-N 2.78Å; D525-T527 PolarHBondContact O-N 2.84Å; D525-T528 PolarHBondContact O-OG1 2.89Å; D525-A529 WeakPolarHBondContact O-CA 3.42Å; D525-A529 WeakPolarHBondContact O-CB 3.49Å; D525-A529 PolarHBondContact O-N 3.48Å
526	E	49.8	Very low	63	Low	129 Å²	129	105 Å²	105	60%	0.603	55%	0.548	S	S	*	.	H	α-helix	trans	-69.8	-26.3	176.6	-78.1	-179.9	-178.1	0	0	113.8	Q522 T524 A529 V530	Q522-E526 WeakPolarHBondContact O-CB 3.37Å; Q522-E526 WeakPolarHBondContact O-CG 3.49Å; Q522-E526 PolarHBondContact O-N 3.43Å; T524-E526 VanDerWaalsContact C-N 3.32Å; T524-E526 PolarHBondContact O-N 3.03Å; E526-A529 CarbonylContact O-C 3.37Å; E526-A529 PolarHBondContact O-N 2.85Å; E526-V530 WeakPolarHBondContact O-CG2 3.26Å; E526-V530 PolarHBondContact O-N 3.39Å
527	T	51.4	Low	61.8	Low	110 Å²	110	104.2 Å²	104.2	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-84.6	-27.5	177.7	37	0	0	0	0	113.5	G523 T524 D525	G523-T527 PolarHBondContact O-N 3.31Å; G523-T527 VanDerWaalsContact O-N 3.07Å; G523-T527 PolarHBondContact O-OG1 3.17Å; T524-T527 PolarHBondContact O-N 3Å; T524-T527 PolarHBondContact O-OG1 3.37Å; D525-T527 PolarHBondContact O-N 2.84Å
528	T	48.1	Very low	60.9	Low	83 Å²	83	101.9 Å²	101.9	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-74.6	-35.8	160.2	27.7	0	0	0	0	111.4	T524 D525 V530 G531 E532	T524-T528 PolarHBondContact O-N 3.43Å; T524-T528 PolarHBondContact O-OG1 3.25Å; D525-T528 PolarHBondContact O-OG1 2.89Å; T528-V530 PolarHBondContact O-N 3.26Å; T528-G531 PolarHBondContact O-N 3.45Å; T528-E532 WeakPolarHBondContact O-CB 3.32Å; T528-E532 WeakPolarHBondContact O-CG 3.23Å; T528-E532 PolarHBondContact O-N 2.8Å
529	A	48.7	Very low	60.2	Low	23 Å²	23	103.6 Å²	103.6	19%	0.19	55%	0.545	C	S	.	.	H	α-helix	trans	-70.8	-27	178.3	0	0	0	0	0	112.1	D525 E526 G531 E532 E533	D525-A529 WeakPolarHBondContact O-CA 3.42Å; D525-A529 WeakPolarHBondContact O-CB 3.49Å; D525-A529 PolarHBondContact O-N 3.48Å; E526-A529 CarbonylContact O-C 3.37Å; E526-A529 PolarHBondContact O-N 2.85Å; A529-G531 VanDerWaalsContact C-N 3.29Å; A529-G531 PolarHBondContact O-N 3.16Å; A529-E532 CarbonylContact O-C 3.53Å; A529-E532 PolarHBondContact O-N 3.44Å; A529-E533 HydrophobicContact CB-CG 4.21Å; A529-E533 VanDerWaalsContact O-CA 3.22Å; A529-E533 WeakPolarHBondContact O-CA 3.31Å; A529-E533 WeakPolarHBondContact O-CB 2.94Å; A529-E533 WeakPolarHBondContact O-CG 3.3Å; A529-E533 PolarHBondContact O-N 3.07Å
530	V	49.9	Very low	59.6	Low	92 Å²	92	101.6 Å²	101.6	56%	0.558	54%	0.542	S	S	*	.	H	α-helix	trans	-70	-29.7	176.4	173.1	0	0	0	0	111.7	E526 T528	E526-V530 WeakPolarHBondContact O-CG2 3.26Å; E526-V530 PolarHBondContact O-N 3.39Å; T528-V530 PolarHBondContact O-N 3.26Å
531	G	48.5	Very low	59.4	Low	47 Å²	47	100.1 Å²	100.1	49%	0.485	54%	0.537	S	S	.	.	H	α-helix	trans	-82.2	-32.7	172.2	0	0	0	0	0	113.3	T528 A529	T528-G531 PolarHBondContact O-N 3.45Å; A529-G531 VanDerWaalsContact C-N 3.29Å; A529-G531 PolarHBondContact O-N 3.16Å
532	E	49.9	Very low	59.4	Low	128 Å²	128	103.4 Å²	103.4	60%	0.598	54%	0.544	S	S	*	.	H	α-helix	trans	-78.2	-26.3	172.5	-72	-178.3	154.8	0	0	112	T528 A529 L535 D536	T528-E532 WeakPolarHBondContact O-CB 3.32Å; T528-E532 WeakPolarHBondContact O-CG 3.23Å; T528-E532 PolarHBondContact O-N 2.8Å; A529-E532 CarbonylContact O-C 3.53Å; A529-E532 PolarHBondContact O-N 3.44Å; E532-L535 CarbonylContact O-C 3.5Å; E532-L535 WeakPolarHBondContact O-CA 3.43Å; E532-L535 WeakPolarHBondContact O-CB 3.4Å; E532-L535 PolarHBondContact O-N 3.29Å; E532-L535 VanDerWaalsContact O-N 3.08Å; E532-D536 WeakPolarHBondContact O-CA 3.49Å; E532-D536 WeakPolarHBondContact O-CB 3.36Å; E532-D536 PolarHBondContact O-N 3Å
533	E	49.4	Very low	59.7	Low	106 Å²	106	102.3 Å²	102.3	50%	0.495	54%	0.541	S	S	.	.	H	α-helix	trans	-73.6	-34	-176	-87.2	172.7	176.8	0	0	110.7	A529 L535 T537	A529-E533 HydrophobicContact CB-CG 4.21Å; A529-E533 VanDerWaalsContact O-CA 3.22Å; A529-E533 WeakPolarHBondContact O-CA 3.31Å; A529-E533 WeakPolarHBondContact O-CB 2.94Å; A529-E533 WeakPolarHBondContact O-CG 3.3Å; A529-E533 PolarHBondContact O-N 3.07Å; E533-L535 VanDerWaalsContact C-N 3.27Å; E533-L535 PolarHBondContact O-N 3.33Å; E533-T537 VanDerWaalsContact O-CB 3.23Å; E533-T537 WeakPolarHBondContact O-CB 3.41Å; E533-T537 WeakPolarHBondContact O-CG2 3.05Å; E533-T537 PolarHBondContact O-N 2.93Å; E533-T537 PolarHBondContact O-OG1 3.01Å
534	E	51.5	Low	60.7	Low	155 Å²	155	103.3 Å²	103.3	72%	0.724	55%	0.546	S	S	*	.	H	α-helix	trans	-70.2	-25.8	170	-81.7	-166.6	157.2	0	0	112.6	T537	E534-T537 PolarHBondContact O-OG1 2.74Å
535	L	53.9	Low	62.1	Low	132 Å²	132	105.6 Å²	105.6	69%	0.691	55%	0.546	S	S	*	.	H	α-helix	trans	-86.5	-31	174.2	-96.7	135	0	0	0	112.5	E532 E533 R539	E532-L535 CarbonylContact O-C 3.5Å; E532-L535 WeakPolarHBondContact O-CA 3.43Å; E532-L535 WeakPolarHBondContact O-CB 3.4Å; E532-L535 PolarHBondContact O-N 3.29Å; E532-L535 VanDerWaalsContact O-N 3.08Å; E533-L535 VanDerWaalsContact C-N 3.27Å; E533-L535 PolarHBondContact O-N 3.33Å; L535-R539 PolarHBondContact O-N 3.42Å
536	D	61.4	Low	63.7	Low	86 Å²	86	102.9 Å²	102.9	46%	0.46	54%	0.535	S	S	.	.	H	α-helix	trans	-86.8	-30.8	-176.4	-151.6	27.4	0	0	0	110.2	E532 K538 R539 V540	E532-D536 WeakPolarHBondContact O-CA 3.49Å; E532-D536 WeakPolarHBondContact O-CB 3.36Å; E532-D536 PolarHBondContact O-N 3Å; D536-K538 VanDerWaalsContact C-N 3.34Å; D536-K538 PolarHBondContact O-N 3.46Å; D536-R539 PolarHBondContact O-N 2.94Å; D536-V540 WeakPolarHBondContact O-CB 3.48Å; D536-V540 WeakPolarHBondContact O-CG2 3.36Å; D536-V540 PolarHBondContact O-N 3Å
537	T	65.2	Low	65.3	Low	81 Å²	81	100.3 Å²	100.3	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-59.5	-43.3	168	43.9	0	0	0	0	111.9	E533 E534 V540 E541	E533-T537 VanDerWaalsContact O-CB 3.23Å; E533-T537 WeakPolarHBondContact O-CB 3.41Å; E533-T537 WeakPolarHBondContact O-CG2 3.05Å; E533-T537 PolarHBondContact O-N 2.93Å; E533-T537 PolarHBondContact O-OG1 3.01Å; E534-T537 PolarHBondContact O-OG1 2.74Å; T537-V540 PolarHBondContact O-N 3.47Å; T537-E541 WeakPolarHBondContact O-CB 3.23Å; T537-E541 WeakPolarHBondContact O-CG 3.37Å; T537-E541 PolarHBondContact O-N 3.49Å
538	K	72.6	Confident	67	Low	151 Å²	151	100.7 Å²	100.7	66%	0.657	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-38.6	174.8	-75.8	-177.6	178.8	172.2	0	112.6	D536 E541 E542	D536-K538 VanDerWaalsContact C-N 3.34Å; D536-K538 PolarHBondContact O-N 3.46Å; K538-E541 PolarHBondContact O-N 3.34Å; K538-E542 PolarHBondContact O-N 2.94Å
539	R	73.7	Confident	68.9	Low	171 Å²	171	102.6 Å²	102.6	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-68.4	-41.7	177.3	-126.3	176.7	-177.2	177.3	0.1	111.7	L535 D536 E542 I543	L535-R539 PolarHBondContact O-N 3.42Å; D536-R539 PolarHBondContact O-N 2.94Å; R539-E542 PolarHBondContact O-N 3.42Å; R539-I543 WeakPolarHBondContact O-CB 3.37Å; R539-I543 WeakPolarHBondContact O-CD1 3.47Å; R539-I543 WeakPolarHBondContact O-CG1 3.47Å; R539-I543 PolarHBondContact O-N 2.93Å
540	V	72.7	Confident	70.8	Confident	82 Å²	82	106.8 Å²	106.8	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-66.1	-40.2	175	171.7	0	0	0	0	110.3	D536 T537 I543 A544	D536-V540 WeakPolarHBondContact O-CB 3.48Å; D536-V540 WeakPolarHBondContact O-CG2 3.36Å; D536-V540 PolarHBondContact O-N 3Å; T537-V540 PolarHBondContact O-N 3.47Å; V540-I543 PolarHBondContact O-N 2.77Å; V540-A544 WeakPolarHBondContact O-CB 3.45Å; V540-A544 PolarHBondContact O-N 2.93Å
541	E	78.4	Confident	72.5	Confident	129 Å²	129	108.5 Å²	108.5	60%	0.603	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-38.8	172.9	-84.3	-173.9	159.2	0	0	112.6	T537 K538 R545	T537-E541 WeakPolarHBondContact O-CB 3.23Å; T537-E541 WeakPolarHBondContact O-CG 3.37Å; T537-E541 PolarHBondContact O-N 3.49Å; K538-E541 PolarHBondContact O-N 3.34Å; E541-R545 VanDerWaalsContact O-CB 3.25Å; E541-R545 WeakPolarHBondContact O-CB 3.25Å; E541-R545 PolarHBondContact O-N 2.9Å
542	E	80.5	Confident	74.4	Confident	119 Å²	119	111.7 Å²	111.7	56%	0.556	54%	0.542	S	S	*	.	H	α-helix	trans	-67.1	-42.4	173	-87.6	-174.9	159.5	0	0	112.4	K538 R539 R545 S546	K538-E542 PolarHBondContact O-N 2.94Å; R539-E542 PolarHBondContact O-N 3.42Å; E542-R545 PolarHBondContact O-N 3.05Å; E542-S546 WeakPolarHBondContact O-CB 3.49Å; E542-S546 PolarHBondContact O-N 3.16Å
543	I	80.7	Confident	76.3	Confident	103 Å²	103	112.1 Å²	112.1	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176.4	-68.3	163.6	0	0	0	110.3	R539 V540 S546 T547	R539-I543 WeakPolarHBondContact O-CB 3.37Å; R539-I543 WeakPolarHBondContact O-CD1 3.47Å; R539-I543 WeakPolarHBondContact O-CG1 3.47Å; R539-I543 PolarHBondContact O-N 2.93Å; V540-I543 PolarHBondContact O-N 2.77Å; I543-S546 PolarHBondContact O-N 3.48Å; I543-T547 WeakPolarHBondContact O-CB 3.24Å; I543-T547 PolarHBondContact O-N 3.19Å; I543-T547 PolarHBondContact O-OG1 3.41Å
544	A	80.9	Confident	78.1	Confident	48 Å²	48	109.7 Å²	109.7	40%	0.397	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-42	176.2	0	0	0	0	0	111.3	V540 T547 Q548	V540-A544 WeakPolarHBondContact O-CB 3.45Å; V540-A544 PolarHBondContact O-N 2.93Å; A544-T547 WeakPolarHBondContact CA-OG1 3.35Å; A544-T547 PolarHBondContact O-N 3.39Å; A544-T547 PolarHBondContact O-OG1 3.44Å; A544-T547 VanDerWaalsContact O-OG1 3.12Å; A544-Q548 WeakPolarHBondContact O-CB 3.45Å; A544-Q548 PolarHBondContact O-N 3.12Å
545	R	84.3	Confident	79.7	Confident	133 Å²	133	105.6 Å²	105.6	50%	0.502	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-44.8	175.6	-162.6	-169.2	-38	157.3	14	111.7	E541 E542 Q548 E549	E541-R545 VanDerWaalsContact O-CB 3.25Å; E541-R545 WeakPolarHBondContact O-CB 3.25Å; E541-R545 PolarHBondContact O-N 2.9Å; E542-R545 PolarHBondContact O-N 3.05Å; R545-Q548 PolarHBondContact O-N 3.47Å; R545-E549 WeakPolarHBondContact O-CG 3.46Å; R545-E549 PolarHBondContact O-N 3Å
546	S	86	Confident	81.3	Confident	53 Å²	53	105 Å²	105	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-43	175.9	166.6	0	0	0	0	112.2	E542 I543 E549 Q550	E542-S546 WeakPolarHBondContact O-CB 3.49Å; E542-S546 PolarHBondContact O-N 3.16Å; I543-S546 PolarHBondContact O-N 3.48Å; S546-E549 PolarHBondContact O-N 3.48Å; S546-Q550 WeakPolarHBondContact O-CB 3.23Å; S546-Q550 WeakPolarHBondContact O-CG 3.34Å; S546-Q550 PolarHBondContact O-N 2.98Å
547	T	84	Confident	82.6	Confident	75 Å²	75	108 Å²	108	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-70	-35.8	177.8	34.5	0	0	0	0	111.4	I543 A544 F551	I543-T547 WeakPolarHBondContact O-CB 3.24Å; I543-T547 PolarHBondContact O-N 3.19Å; I543-T547 PolarHBondContact O-OG1 3.41Å; A544-T547 WeakPolarHBondContact CA-OG1 3.35Å; A544-T547 PolarHBondContact O-N 3.39Å; A544-T547 PolarHBondContact O-OG1 3.44Å; A544-T547 VanDerWaalsContact O-OG1 3.12Å; T547-F551 VanDerWaalsContact O-CB 3.27Å; T547-F551 WeakPolarHBondContact O-CB 3.41Å; T547-F551 PolarHBondContact O-N 3.47Å
548	Q	86.4	Confident	83.6	Confident	117 Å²	117	110.8 Å²	110.8	55%	0.547	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-45.1	172.8	-173.8	176.9	-28	0	0	111.4	A544 R545 F551 F552	A544-Q548 WeakPolarHBondContact O-CB 3.45Å; A544-Q548 PolarHBondContact O-N 3.12Å; R545-Q548 PolarHBondContact O-N 3.47Å; Q548-F551 WeakPolarHBondContact O-CB 3.46Å; Q548-F551 PolarHBondContact O-N 3.13Å; Q548-F552 HydrophobicContact CG-CD2 3.78Å; Q548-F552 HydrophobicContact CG-CE2 3.55Å; Q548-F552 WeakPolarHBondContact O-CD2 3.46Å; Q548-F552 PolarHBondContact O-N 3.12Å
549	E	89.2	Confident	84.3	Confident	123 Å²	123	108.1 Å²	108.1	58%	0.575	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-47.8	175.4	-76.8	174.6	179.9	0	0	111.9	R545 S546 F551 F552 E553	R545-E549 WeakPolarHBondContact O-CG 3.46Å; R545-E549 PolarHBondContact O-N 3Å; S546-E549 PolarHBondContact O-N 3.48Å; E549-F551 VanDerWaalsContact C-N 3.28Å; E549-F551 PolarHBondContact O-N 3.22Å; E549-F552 PolarHBondContact O-N 3.13Å; E549-E553 PolarHBondContact O-N 3.42Å
550	Q	87.2	Confident	85	Confident	112 Å²	112	106.5 Å²	106.5	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-37	175.7	-74.9	178.4	-1.7	0	0	112.4	S546 T554	S546-Q550 WeakPolarHBondContact O-CB 3.23Å; S546-Q550 WeakPolarHBondContact O-CG 3.34Å; S546-Q550 PolarHBondContact O-N 2.98Å; Q550-T554 WeakPolarHBondContact O-CB 3.41Å; Q550-T554 PolarHBondContact O-N 3.5Å; Q550-T554 PolarHBondContact O-OG1 3.48Å
551	F	85.9	Confident	85.6	Confident	128 Å²	128	108.1 Å²	108.1	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-64.6	-45.9	175.8	179.5	-101.9	0	0	0	111.5	T547 Q548 E549 T554 I555	T547-F551 VanDerWaalsContact O-CB 3.27Å; T547-F551 WeakPolarHBondContact O-CB 3.41Å; T547-F551 PolarHBondContact O-N 3.47Å; Q548-F551 WeakPolarHBondContact O-CB 3.46Å; Q548-F551 PolarHBondContact O-N 3.13Å; E549-F551 VanDerWaalsContact C-N 3.28Å; E549-F551 PolarHBondContact O-N 3.22Å; F551-T554 WeakPolarHBondContact O-CB 3.38Å; F551-T554 PolarHBondContact O-N 2.87Å; F551-I555 HydrophobicContact CD1-CD1 3.89Å; F551-I555 HydrophobicContact CE1-CD1 3.31Å; F551-I555 HydrophobicContact CE1-CG1 4.33Å; F551-I555 HydrophobicContact CE2-CD1 4.42Å; F551-I555 HydrophobicContact CZ-CD1 3.63Å; F551-I555 HydrophobicContact CZ-CG1 4.41Å; F551-I555 WeakPolarHBondContact O-CG1 3.22Å; F551-I555 PolarHBondContact O-N 2.96Å
552	F	88.9	Confident	85.9	Confident	114 Å²	114	110.5 Å²	110.5	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-67.9	-39.4	177.8	-79.3	-67.9	0	0	0	112.9	Q548 E549 T554 I555 E556	Q548-F552 HydrophobicContact CG-CD2 3.78Å; Q548-F552 HydrophobicContact CG-CE2 3.55Å; Q548-F552 WeakPolarHBondContact O-CD2 3.46Å; Q548-F552 PolarHBondContact O-N 3.12Å; E549-F552 PolarHBondContact O-N 3.13Å; F552-T554 VanDerWaalsContact C-N 3.27Å; F552-T554 PolarHBondContact O-N 2.95Å; F552-I555 PolarHBondContact O-N 3.01Å; F552-E556 PolarHBondContact O-N 3.01Å
553	E	89.4	Confident	86.2	Confident	136 Å²	136	109.9 Å²	109.9	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-59.4	-39.7	171.2	-80.7	-170.9	150	0	0	111.6	E549 I555 E556 R557	E549-E553 PolarHBondContact O-N 3.42Å; E553-I555 VanDerWaalsContact C-N 3.34Å; E553-I555 PolarHBondContact O-N 3.17Å; E553-E556 PolarHBondContact O-N 3.36Å; E553-R557 WeakPolarHBondContact O-CB 3.48Å; E553-R557 PolarHBondContact O-N 3.48Å
554	T	86.9	Confident	86.5	Confident	55 Å²	55	110.3 Å²	110.3	34%	0.337	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-38.6	177.5	-55.9	0	0	0	0	111.6	Q550 F551 F552 K558	Q550-T554 WeakPolarHBondContact O-CB 3.41Å; Q550-T554 PolarHBondContact O-N 3.5Å; Q550-T554 PolarHBondContact O-OG1 3.48Å; F551-T554 WeakPolarHBondContact O-CB 3.38Å; F551-T554 PolarHBondContact O-N 2.87Å; F552-T554 VanDerWaalsContact C-N 3.27Å; F552-T554 PolarHBondContact O-N 2.95Å; T554-K558 WeakPolarHBondContact O-CG 3.49Å; T554-K558 PolarHBondContact O-N 3Å
555	I	85.8	Confident	86.7	Confident	69 Å²	69	115.6 Å²	115.6	35%	0.354	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-48.8	174.4	-72.4	178.5	0	0	0	110.8	F551 F552 E553 R557 K558 L559	F551-I555 HydrophobicContact CD1-CD1 3.89Å; F551-I555 HydrophobicContact CE1-CD1 3.31Å; F551-I555 HydrophobicContact CE1-CG1 4.33Å; F551-I555 HydrophobicContact CE2-CD1 4.42Å; F551-I555 HydrophobicContact CZ-CD1 3.63Å; F551-I555 HydrophobicContact CZ-CG1 4.41Å; F551-I555 WeakPolarHBondContact O-CG1 3.22Å; F551-I555 PolarHBondContact O-N 2.96Å; F552-I555 PolarHBondContact O-N 3.01Å; E553-I555 VanDerWaalsContact C-N 3.34Å; E553-I555 PolarHBondContact O-N 3.17Å; I555-R557 VanDerWaalsContact C-N 3.31Å; I555-R557 PolarHBondContact O-N 3.2Å; I555-K558 PolarHBondContact O-N 3.38Å; I555-L559 HydrophobicContact CG2-CD1 4.16Å; I555-L559 PolarHBondContact O-N 3.17Å
556	E	87.3	Confident	86.7	Confident	119 Å²	119	115 Å²	115	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-60.3	-41.5	178.8	-82	-162.2	167.5	0	0	112	F552 E553 L559 K560	F552-E556 PolarHBondContact O-N 3.01Å; E553-E556 PolarHBondContact O-N 3.36Å; E556-L559 PolarHBondContact O-N 3.49Å; E556-K560 PolarHBondContact O-N 3.11Å
557	R	88.8	Confident	86.7	Confident	151 Å²	151	119.1 Å²	119.1	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-60.5	-46.1	175.4	-176.1	177.4	58.7	161.1	-3.9	111.2	E553 I555 L559 K560 E561	E553-R557 WeakPolarHBondContact O-CB 3.48Å; E553-R557 PolarHBondContact O-N 3.48Å; I555-R557 VanDerWaalsContact C-N 3.31Å; I555-R557 PolarHBondContact O-N 3.2Å; R557-L559 VanDerWaalsContact C-N 3.33Å; R557-L559 PolarHBondContact O-N 3.26Å; R557-K560 PolarHBondContact O-N 2.89Å; R557-E561 WeakPolarHBondContact O-CG 3.42Å; R557-E561 PolarHBondContact O-N 3.5Å
558	K	86.6	Confident	86.7	Confident	138 Å²	138	120.4 Å²	120.4	60%	0.6	55%	0.55	S	S	*	.	H	α-helix	trans	-65.2	-34.5	176.9	-78.4	-169.8	174.5	-176	0	112.7	T554 I555 R562	T554-K558 WeakPolarHBondContact O-CG 3.49Å; T554-K558 PolarHBondContact O-N 3Å; I555-K558 PolarHBondContact O-N 3.38Å; K558-R562 WeakPolarHBondContact O-CB 3.38Å; K558-R562 PolarHBondContact O-N 3.05Å
559	L	86.1	Confident	86.5	Confident	96 Å²	96	117.1 Å²	117.1	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-47.4	174.5	-111.1	153.7	0	0	0	111.3	I555 E556 R557 E561 R562 E563	I555-L559 HydrophobicContact CG2-CD1 4.16Å; I555-L559 PolarHBondContact O-N 3.17Å; E556-L559 PolarHBondContact O-N 3.49Å; R557-L559 VanDerWaalsContact C-N 3.33Å; R557-L559 PolarHBondContact O-N 3.26Å; L559-E561 PolarHBondContact O-N 3.06Å; L559-R562 WeakPolarHBondContact O-CB 3.45Å; L559-R562 PolarHBondContact O-N 3.16Å; L559-R562 VanDerWaalsContact O-N 3.1Å; L559-E563 PolarHBondContact O-N 3.4Å
560	K	88.5	Confident	86.1	Confident	137 Å²	137	118 Å²	118	60%	0.596	55%	0.549	S	S	*	.	H	α-helix	trans	-61.2	-41.1	175	-76.1	175.8	-180	162.9	0	112.4	E556 R557 R562 E563 L564	E556-K560 PolarHBondContact O-N 3.11Å; R557-K560 PolarHBondContact O-N 2.89Å; K560-R562 VanDerWaalsContact C-N 3.29Å; K560-R562 PolarHBondContact O-N 2.91Å; K560-E563 PolarHBondContact O-N 3.42Å; K560-L564 WeakPolarHBondContact O-CB 3.23Å; K560-L564 PolarHBondContact O-N 3.39Å
561	E	86.2	Confident	85.8	Confident	116 Å²	116	118.3 Å²	118.3	54%	0.542	55%	0.55	S	S	.	*	H	α-helix	trans	-61.9	-37.7	173.6	-79.4	-179.9	171.6	0	0	112.1	R557 L559 K565	R557-E561 WeakPolarHBondContact O-CG 3.42Å; R557-E561 PolarHBondContact O-N 3.5Å; L559-E561 PolarHBondContact O-N 3.06Å; E561-K565 WeakPolarHBondContact O-CB 3.15Å; E561-K565 PolarHBondContact O-N 3.29Å
562	R	84.9	Confident	85.4	Confident	179 Å²	179	115.6 Å²	115.6	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-70.3	-43.8	178.5	-149.9	176.4	-174.1	176.4	1.7	111.6	K558 L559 K560 L564 K565 E566	K558-R562 WeakPolarHBondContact O-CB 3.38Å; K558-R562 PolarHBondContact O-N 3.05Å; L559-R562 WeakPolarHBondContact O-CB 3.45Å; L559-R562 PolarHBondContact O-N 3.16Å; L559-R562 VanDerWaalsContact O-N 3.1Å; K560-R562 VanDerWaalsContact C-N 3.29Å; K560-R562 PolarHBondContact O-N 2.91Å; R562-L564 VanDerWaalsContact C-N 3.33Å; R562-L564 PolarHBondContact O-N 3.45Å; R562-K565 PolarHBondContact O-N 2.85Å; R562-E566 WeakPolarHBondContact O-CG 3.26Å; R562-E566 PolarHBondContact O-N 3.12Å
563	E	86.8	Confident	84.7	Confident	106 Å²	106	115 Å²	115	50%	0.495	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-39.5	173.7	-73.8	-176.3	171.3	0	0	112.1	L559 K560 E566 K567	L559-E563 PolarHBondContact O-N 3.4Å; K560-E563 PolarHBondContact O-N 3.42Å; E563-E566 PolarHBondContact O-N 3.45Å; E563-K567 PolarHBondContact O-N 3.11Å
564	L	87	Confident	83.8	Confident	112 Å²	112	114.7 Å²	114.7	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-65.7	-42.8	176	-160.7	90	0	0	0	111	K560 R562 E566 K567 L568	K560-L564 WeakPolarHBondContact O-CB 3.23Å; K560-L564 PolarHBondContact O-N 3.39Å; R562-L564 VanDerWaalsContact C-N 3.33Å; R562-L564 PolarHBondContact O-N 3.45Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-K567 PolarHBondContact O-N 3.33Å; L564-L568 HydrophobicContact CD2-CD1 4.32Å; L564-L568 HydrophobicContact CG-CD1 4.36Å; L564-L568 WeakPolarHBondContact O-CB 3.38Å; L564-L568 WeakPolarHBondContact O-CG 3.39Å; L564-L568 PolarHBondContact O-N 3.14Å
565	K	84.6	Confident	83.1	Confident	159 Å²	159	117.2 Å²	117.2	69%	0.691	56%	0.563	S	S	*	*	H	α-helix	trans	-62	-40.2	173.7	-93.1	-176.4	174.1	177.4	0	112.2	E561 R562 L568 A569	E561-K565 WeakPolarHBondContact O-CB 3.15Å; E561-K565 PolarHBondContact O-N 3.29Å; R562-K565 PolarHBondContact O-N 2.85Å; K565-L568 PolarHBondContact O-N 3.48Å; K565-A569 VanDerWaalsContact O-CB 3.27Å; K565-A569 WeakPolarHBondContact O-CB 3.41Å; K565-A569 PolarHBondContact O-N 3.33Å
566	E	84.2	Confident	82.3	Confident	120 Å²	120	116.5 Å²	116.5	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-67.4	-39.6	176.8	-78	178.8	179.4	0	0	112	R562 E563 L564 A569 M570	R562-E566 WeakPolarHBondContact O-CG 3.26Å; R562-E566 PolarHBondContact O-N 3.12Å; E563-E566 PolarHBondContact O-N 3.45Å; L564-E566 VanDerWaalsContact C-N 3.34Å; E566-A569 PolarHBondContact O-N 3.08Å; E566-M570 PolarHBondContact O-N 3.06Å
567	K	85.2	Confident	81.1	Confident	140 Å²	140	113.5 Å²	113.5	61%	0.609	56%	0.559	S	S	*	*	H	α-helix	trans	-62.7	-47	172.8	-79.7	-179.3	177.9	175.1	0	112.2	E563 L564 A569 M570 E571	E563-K567 PolarHBondContact O-N 3.11Å; L564-K567 PolarHBondContact O-N 3.33Å; K567-A569 VanDerWaalsContact C-N 3.29Å; K567-A569 PolarHBondContact O-N 3.02Å; K567-M570 PolarHBondContact O-N 3.04Å; K567-E571 PolarHBondContact O-N 3.02Å
568	L	84.9	Confident	80	Confident	101 Å²	101	111.1 Å²	111.1	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-62.1	-37.8	176	-75.4	164.8	0	0	0	111.7	L564 K565 S572	L564-L568 HydrophobicContact CD2-CD1 4.32Å; L564-L568 HydrophobicContact CG-CD1 4.36Å; L564-L568 WeakPolarHBondContact O-CB 3.38Å; L564-L568 WeakPolarHBondContact O-CG 3.39Å; L564-L568 PolarHBondContact O-N 3.14Å; K565-L568 PolarHBondContact O-N 3.48Å; L568-S572 WeakPolarHBondContact O-CB 3.39Å; L568-S572 PolarHBondContact O-N 3.47Å
569	A	81.9	Confident	78.8	Confident	49 Å²	49	112 Å²	112	41%	0.405	56%	0.562	S	S	.	*	H	α-helix	trans	-65.7	-44.2	174.6	0	0	0	0	0	111.6	K565 E566 K567 S572 V573	K565-A569 VanDerWaalsContact O-CB 3.27Å; K565-A569 WeakPolarHBondContact O-CB 3.41Å; K565-A569 PolarHBondContact O-N 3.33Å; E566-A569 PolarHBondContact O-N 3.08Å; K567-A569 VanDerWaalsContact C-N 3.29Å; K567-A569 PolarHBondContact O-N 3.02Å; A569-S572 PolarHBondContact O-N 2.77Å; A569-S572 PolarHBondContact O-OG 3.12Å; A569-V573 WeakPolarHBondContact O-CG2 3.48Å; A569-V573 PolarHBondContact O-N 3.02Å
570	M	80.4	Confident	77.4	Confident	142 Å²	142	115.1 Å²	115.1	70%	0.7	57%	0.574	S	S	*	*	H	α-helix	trans	-61.1	-44.6	175.1	-84.5	-172.5	166.2	0	0	112	E566 K567 S572 V573 Q574	E566-M570 PolarHBondContact O-N 3.06Å; K567-M570 PolarHBondContact O-N 3.04Å; M570-S572 VanDerWaalsContact C-N 3.3Å; M570-S572 PolarHBondContact O-N 2.97Å; M570-V573 PolarHBondContact O-N 2.72Å; M570-Q574 WeakPolarHBondContact O-CB 3.32Å; M570-Q574 PolarHBondContact O-N 3.27Å
571	E	81.4	Confident	75.8	Confident	118 Å²	118	115.2 Å²	115.2	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-62.4	-37.4	175.9	-75.8	-178.7	170	0	0	112	K567 Q574 N575	K567-E571 PolarHBondContact O-N 3.02Å; E571-Q574 PolarHBondContact O-N 3.22Å; E571-N575 WeakPolarHBondContact O-CB 3.18Å; E571-N575 PolarHBondContact O-N 3.4Å
572	S	76.8	Confident	74.2	Confident	71 Å²	71	118 Å²	118	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-65.2	-38.4	175.6	78.4	0	0	0	0	112.7	L568 A569 M570 N575 A576	L568-S572 WeakPolarHBondContact O-CB 3.39Å; L568-S572 PolarHBondContact O-N 3.47Å; A569-S572 PolarHBondContact O-N 2.77Å; A569-S572 PolarHBondContact O-OG 3.12Å; M570-S572 VanDerWaalsContact C-N 3.3Å; M570-S572 PolarHBondContact O-N 2.97Å; S572-N575 PolarHBondContact O-N 3.3Å; S572-A576 WeakPolarHBondContact O-CB 3.33Å; S572-A576 PolarHBondContact O-N 3.31Å
573	V	74.9	Confident	72.3	Confident	102 Å²	102	116.3 Å²	116.3	62%	0.618	60%	0.595	S	S	*	*	H	α-helix	trans	-69.2	-38.1	176.2	174.2	0	0	0	0	110.8	A569 M570 A576 S577	A569-V573 WeakPolarHBondContact O-CG2 3.48Å; A569-V573 PolarHBondContact O-N 3.02Å; M570-V573 PolarHBondContact O-N 2.72Å; V573-A576 WeakPolarHBondContact O-CB 3Å; V573-A576 PolarHBondContact O-N 3.43Å; V573-S577 PolarHBondContact O-N 3.5Å
574	Q	71.6	Confident	70.5	Confident	128 Å²	128	119.6 Å²	119.6	60%	0.598	61%	0.61	S	S	*	*	H	α-helix	trans	-70.1	-35.1	178.5	-145.2	154.8	-0.9	0	0	111.8	M570 E571 S577 N578	M570-Q574 WeakPolarHBondContact O-CB 3.32Å; M570-Q574 PolarHBondContact O-N 3.27Å; E571-Q574 PolarHBondContact O-N 3.22Å; Q574-S577 PolarHBondContact O-OG 3.32Å; Q574-N578 PolarHBondContact O-N 3.49Å
575	N	70.5	Confident	68.6	Low	109 Å²	109	121 Å²	121	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-71	-31.5	170.8	-79.1	-23.5	0	0	0	112.8	E571 S572 N578 K579	E571-N575 WeakPolarHBondContact O-CB 3.18Å; E571-N575 PolarHBondContact O-N 3.4Å; S572-N575 PolarHBondContact O-N 3.3Å; N575-N578 PolarHBondContact O-N 3.01Å; N575-K579 PolarHBondContact O-N 3.49Å; N575-K579 VanDerWaalsContact O-N 3.1Å
576	A	69.5	Low	66.7	Low	53 Å²	53	120 Å²	120	44%	0.438	62%	0.624	S	S	.	*	H	α-helix	trans	-67.4	-40.2	173.8	0	0	0	0	0	112.1	S572 V573 N578 K579 Q580	S572-A576 WeakPolarHBondContact O-CB 3.33Å; S572-A576 PolarHBondContact O-N 3.31Å; V573-A576 WeakPolarHBondContact O-CB 3Å; V573-A576 PolarHBondContact O-N 3.43Å; A576-N578 VanDerWaalsContact C-N 3.35Å; A576-N578 PolarHBondContact O-N 2.82Å; A576-K579 PolarHBondContact O-N 3.1Å; A576-Q580 PolarHBondContact O-N 3.22Å; A576-Q580 VanDerWaalsContact O-N 3.12Å
577	S	63.3	Low	64.5	Low	56 Å²	56	121.1 Å²	121.1	39%	0.392	63%	0.633	S	S	.	*	H	α-helix	trans	-67.7	-36.3	176.3	89.6	0	0	0	0	112	V573 Q574 K579 Q580 L581	V573-S577 PolarHBondContact O-N 3.5Å; Q574-S577 PolarHBondContact O-OG 3.32Å; S577-K579 VanDerWaalsContact C-N 3.31Å; S577-K579 PolarHBondContact O-N 3.18Å; S577-Q580 PolarHBondContact O-N 3.28Å; S577-L581 PolarHBondContact O-N 3.49Å
578	N	64.5	Low	62.3	Low	101 Å²	101	120.7 Å²	120.7	54%	0.54	64%	0.637	S	S	.	*	H	α-helix	trans	-67.5	-28.2	174.4	-83.9	-23.9	0	0	0	113.4	Q574 N575 A576	Q574-N578 PolarHBondContact O-N 3.49Å; N575-N578 PolarHBondContact O-N 3.01Å; A576-N578 VanDerWaalsContact C-N 3.35Å; A576-N578 PolarHBondContact O-N 2.82Å
579	K	61.5	Low	60.2	Low	158 Å²	158	123.3 Å²	123.3	69%	0.687	65%	0.647	S	S	*	*	H	α-helix	trans	-77.3	-31.9	173.6	-88.9	-175.2	174.1	-178.8	0	113.1	N575 A576 S577	N575-K579 PolarHBondContact O-N 3.49Å; N575-K579 VanDerWaalsContact O-N 3.1Å; A576-K579 PolarHBondContact O-N 3.1Å; S577-K579 VanDerWaalsContact C-N 3.31Å; S577-K579 PolarHBondContact O-N 3.18Å
580	Q	56.8	Low	58.2	Low	161 Å²	161	128.5 Å²	128.5	75%	0.752	66%	0.662	S	S	*	*	H	α-helix	trans	-73.2	-29.7	176.6	-86.7	177.5	-26.3	0	0	113.4	A576 S577	A576-Q580 PolarHBondContact O-N 3.22Å; A576-Q580 VanDerWaalsContact O-N 3.12Å; S577-Q580 PolarHBondContact O-N 3.28Å
581	L	54.5	Low	56.2	Low	139 Å²	139	129.7 Å²	129.7	73%	0.728	67%	0.666	S	S	*	*	H	α-helix	trans	-83.8	-13.7	-179.6	-89.5	149	0	0	0	115.1	S577	S577-L581 PolarHBondContact O-N 3.49Å
582	K	52.3	Low	54.2	Low	173 Å²	173	131.8 Å²	131.8	75%	0.752	68%	0.676	S	S	*	*	H	α-helix	trans	-103.9	-19.3	-179.2	-84.9	-174.4	174.8	-178.2	0	115.4	E584	K582-E584 VanDerWaalsContact C-N 3.3Å; K582-E584 PolarHBondContact O-N 3.09Å
583	N	46.4	Very low	52.4	Low	145 Å²	145	139 Å²	139	78%	0.775	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	6.6	-177.7	-78.7	8.9	0	0	0	114.8
584	E	47.8	Very low	50.9	Low	175 Å²	175	139.5 Å²	139.5	82%	0.818	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-3.9	172.5	-93.1	-173.6	159.5	0	0	114.4	K582	K582-E584 VanDerWaalsContact C-N 3.3Å; K582-E584 PolarHBondContact O-N 3.09Å
585	I	47.6	Very low	49.5	Very low	140 Å²	140	139.3 Å²	139.3	72%	0.718	71%	0.705	S	S	*	*	S	Bend	trans	-138.1	103.9	-172.9	-50.2	172.7	0	0	0	110.8
586	V	44.5	Very low	48.1	Very low	140 Å²	140	139.1 Å²	139.1	85%	0.848	71%	0.712	S	S	*	*			trans	102.8	116.4	163.5	-166.3	0	0	0	0	117.2
587	L	38.1	Very low	46.7	Very low	143 Å²	143	141 Å²	141	75%	0.749	72%	0.722	S	S	*	*			trans	-82.5	163.9	176	-73.1	140.2	0	0	0	112.2
588	D	39.3	Very low	45.5	Very low	130 Å²	130	146.4 Å²	146.4	70%	0.695	74%	0.741	S	S	*	*			trans	74.7	136.5	156.5	-49.8	-28	0	0	0	116.5
589	E	40.5	Very low	44.4	Very low	157 Å²	157	147.9 Å²	147.9	73%	0.734	75%	0.749	S	S	*	*			cis	-171	159.3	5.4	-110.1	167.9	176.1	0	0	107.7
590	E	39.9	Very low	43.3	Very low	158 Å²	158	147.9 Å²	147.9	74%	0.738	75%	0.752	S	S	*	*			trans	63.6	115	150.4	-64.8	179	174.3	0	0	122.6
591	E	38.1	Very low	42.3	Very low	167 Å²	167	147.8 Å²	147.8	78%	0.78	75%	0.751	S	S	*	*				76.8	133.7	93.6	-74.7	-168.8	169.2	0	0	113.4
592	E	39.8	Very low	41.5	Very low	161 Å²	161	149.2 Å²	149.2	75%	0.752	76%	0.76	S	S	*	*			cis	-171	145.9	33.7	-118.9	179	170.9	0	0	110.2
593	R	39.2	Very low	40.9	Very low	222 Å²	222	145.4 Å²	145.4	84%	0.838	76%	0.76	S	S	*	*			trans	22.6	174.3	142.7	-64.1	-179.6	-174.2	-159.5	2	122.3
594	P	43.1	Very low	40.7	Very low	113 Å²	113	144 Å²	144	73%	0.734	76%	0.756	S	S	*	*			cis	-136.2	155.6	7.1	21	7.6	0	0	0	116.2
595	V	41.6	Very low	40.3	Very low	125 Å²	125	144 Å²	144	76%	0.758	76%	0.756	S	S	*	*				88.1	142.7	88.2	-174.4	0	0	0	0	116.5
596	S	41.6	Very low	40.1	Very low	104 Å²	104	148.8 Å²	148.8	73%	0.727	77%	0.766	S	S	*	*			trans	84.8	133.8	161.5	83.2	0	0	0	0	115.8
597	S	39.8	Very low	39.9	Very low	92 Å²	92	151.3 Å²	151.3	64%	0.643	77%	0.768	S	S	*	*			cis	165	134.7	-1.2	41.7	0	0	0	0	103
598	E	39.3	Very low	39.9	Very low	170 Å²	170	147.8 Å²	147.8	79%	0.794	77%	0.766	S	S	*	*			trans	155.9	123.3	145.4	-86.9	167.5	-167.6	0	0	109.1
599	D	39.9	Very low	39.8	Very low	133 Å²	133	149.8 Å²	149.8	71%	0.711	77%	0.772	S	S	*	*			trans	69.6	105	145.8	-52.2	-16.8	0	0	0	117.1
600	E	40	Very low	39.8	Very low	158 Å²	158	151.1 Å²	151.1	74%	0.738	78%	0.778	S	S	*	*				68.3	121.9	84.9	-80.5	-161.6	-179.2	0	0	112.7
601	Q	34.6	Very low	39.6	Very low	159 Å²	159	146.7 Å²	146.7	74%	0.743	77%	0.774	S	S	*	*			trans	76.9	99.6	159	-56.8	165.2	31.7	0	0	116.8
602	D	38.4	Very low	39.6	Very low	169 Å²	169	146 Å²	146	90%	0.904	78%	0.775	S	S	*	*			trans	178.7	151	135.6	-95.8	-26.9	0	0	0	112.5
603	A	39.4	Very low	39.4	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	78%	0.778	S	S	*	*			trans	78.2	116.2	-178.4	0	0	0	0	0	114
604	V	41.7	Very low	39.2	Very low	114 Å²	114	143 Å²	143	69%	0.691	78%	0.781	S	S	*	*	S	Bend		-159.4	140.1	56.4	164.4	0	0	0	0	109.3
605	E	40	Very low	39	Very low	175 Å²	175	146.7 Å²	146.7	82%	0.818	79%	0.789	S	S	*	*			trans	66	97.3	162.7	-71.8	160.1	-166.4	0	0	116.6
606	R	43.2	Very low	38.8	Very low	242 Å²	242	145.5 Å²	145.5	91%	0.913	79%	0.792	S	S	*	*				31.8	92.7	69.9	-60.4	-173.1	-163.2	170.9	5.6	110
607	E	40.6	Very low	38.8	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	80%	0.797	S	S	*	*				-144.8	114.8	60	-68	175.1	157.2	0	0	111.9
608	G	37.9	Very low	38.9	Very low	69 Å²	69	152.9 Å²	152.9	71%	0.711	81%	0.81	S	S	*	*			trans	-79.5	163.1	138.2	0	0	0	0	0	107.8
609	E	38.3	Very low	38.9	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	81%	0.806	S	S	*	*			cis	-152.2	134.8	35.4	-85.8	172.3	149.1	0	0	107.3
610	Q	38.8	Very low	38.8	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	81%	0.81	S	S	*	*				52.2	125.3	94.1	-55.2	179.8	6.1	0	0	113.2
611	G	36.2	Very low	38.8	Very low	65 Å²	65	150.3 Å²	150.3	67%	0.67	82%	0.815	S	S	*	*			cis	171.6	-176.6	5.8	0	0	0	0	0	112.9
612	L	37.5	Very low	39	Very low	152 Å²	152	147.5 Å²	147.5	80%	0.796	82%	0.82	S	S	*	*			trans	65.5	103.6	161.8	-74.8	90.6	0	0	0	117.4
613	Q	35.6	Very low	39.2	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	81%	0.813	S	S	*	*				64.2	106.2	77.7	-76.3	177	-28.9	0	0	113.1
614	T	36.4	Very low	39.4	Very low	148 Å²	148	150 Å²	150	91%	0.908	82%	0.818	S	S	*	*				-152.6	122.5	125.7	35.1	0	0	0	0	109.1
615	E	37.4	Very low	39.4	Very low	190 Å²	190	153.9 Å²	153.9	89%	0.888	85%	0.85	S	S	*	*			trans	-57	147.3	165.1	-62.8	163.6	144.6	0	0	111.3
616	A	38.4	Very low	39.4	Very low	100 Å²	100	152.8 Å²	152.8	83%	0.826	85%	0.852	S	S	*	*			trans	-157.6	97.4	147.4	0	0	0	0	0	108.9
617	D	41.9	Very low	39.2	Very low	158 Å²	158	148.1 Å²	148.1	85%	0.845	85%	0.849	S	S	*	*			trans	-55.1	135.7	151.6	-78.5	-45.1	0	0	0	109.6
618	E	40.8	Very low	39.1	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	85%	0.846	S	S	*	*			trans	-126.8	119.4	151.4	-91.9	-168.5	171.6	0	0	109.3
619	P	39.5	Very low	39.2	Very low	112 Å²	112	150.1 Å²	150.1	73%	0.727	85%	0.854	S	S	*	*			trans	-89.3	162.7	171.1	35.7	-30.6	0	0	0	111.6
620	S	37.3	Very low	39.2	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	86%	0.857	S	S	*	*			trans	-17.1	126.3	161.6	57.4	0	0	0	0	117.9
621	E	41.1	Very low	39.3	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	86%	0.857	S	S	*	*			trans	-118.7	111.9	145	-83.4	-166.7	158.6	0	0	110.1
622	A	39.2	Very low	39.5	Very low	101 Å²	101	152.2 Å²	152.2	84%	0.835	87%	0.87	S	S	*	*			trans	-79.2	122.7	152.2	0	0	0	0	0	107.7
623	V	42.4	Very low	39.6	Very low	126 Å²	126	152.2 Å²	152.2	76%	0.764	88%	0.876	S	S	*	*			trans	-133.2	127.3	155.3	179.4	0	0	0	0	109.1
624	Q	42.2	Very low	40	Very low	188 Å²	188	150.4 Å²	150.4	88%	0.879	88%	0.881	S	S	*	*			trans	-62.4	128.6	175.1	-63.7	160	-29.5	0	0	111.3
625	S	42.8	Very low	40.3	Very low	195 Å²	195	150.6 Å²	150.6	100%	1.364	88%	0.879	S	S	*	*			trans	-177	0	131.9	61.3	0	0	0	0	109.7

Retrieved 625 of 625 residues in 111.7 ms (Link to these results)

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