A0A087YJF8_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087YJF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 862 aa.

						>A0A087YJF8_POEFO|A0A087YJF8
MDLNGPSLNRSQSLASGLEKTSPPWNKPALSQSSSTLSSRHSRQVIKDWEVIDDLQVEMQAGSECPQDMSPPGMCEGYLLKRRKWPLKGWHKRYFVLEAGILRYSKNQQDASKGRVQGSLDVSHAVMSINKKSNRIDLDAGDFLYHIKAKSHDLFYIWVTKLQAHRLYKKNETTHAHGGLLQTLSNATQTGQAHRNGDVSLAGVENSAGGSGVLPSANTAVNSKVSAWLRHSHNPDTCVQELNRCNLDLSELNRLILRLQAMEVGQNFTNGDLQRIISTQNLSLEKPKKTKSGKIWGHSRTLSRVEALGMPVRGISKSLSSSHLSSSSHLGVSVPSIPDYVYSQVAPPTILSPEGKKIQQDICAMSTQVLSSLKSVHETLSLERQKLQEAWEANNLHQSNTLAVPAPSHGPPSVTDSAAEYFDANDDVLCGSSSEVSDESGLSDGSTSNSEPEEGHASTTRKYRASISRTPNNVVPKSTGRRTTLPAPCPDNSHVGLMAILYNNIGKDLARVSMPAALNEPVNLLQRLCEELEYSELLDTASNTPDPYQRMVYVAAFAISGYSTAMFRNRYKPFNPVLGETFECIRDDRGFRFVSEQVCHHPPISACHAESENFTFWQDQRWKNKFWGKSLEILPTGMVNVTLPRYGDHYEWNKVVTCIHNVLSQQRYLEHYGEVTIQNLTNNTCTCKITFVKSRYWGSDSNKNEVQGTVIDQSGNVIHRFGGLWHEGIFCDTLPTPKCIWKPNPQPKDYLLYYGFSSFAMELNELTPNLKPLLPPTDTRLRPDQRMLEEGKVAEADRKKDDVEEIQRERRKQLAKRGEEHIPRFFKKAKDSCGRDVWLTNGTYWKLRDDPGFSNLANTVLW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.8	Very low	30	Very low	221 Å²	221	143.1 Å²	143.1	100%	1.089	80%	0.797	S	S	*	*				0	89.9	0	-66.6	-178.7	-176	0	0	109.4
2	D	32	Very low	29.6	Very low	137 Å²	137	147.9 Å²	147.9	73%	0.733	81%	0.809	S	S	*	*			cis	138.8	133.7	-3.1	-76.4	-16.7	0	0	0	106.1
3	L	32	Very low	29.4	Very low	137 Å²	137	144.4 Å²	144.4	72%	0.717	80%	0.802	S	S	*	*			cis	-145.2	150.6	3.7	-95.6	140.2	0	0	0	110.9
4	N	30.6	Very low	29.2	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	81%	0.808	S	S	*	*			trans	35.4	133.1	146.5	-56.6	-6.4	0	0	0	121.5
5	G	25.1	Very low	29.1	Very low	70 Å²	70	143 Å²	143	72%	0.722	81%	0.808	S	S	*	*			cis	175.7	142	-2.2	0	0	0	0	0	114.1
6	P	46.2	Very low	28.9	Very low	124 Å²	124	142 Å²	142	81%	0.805	81%	0.813	S	S	*	*			trans	-117.6	167.6	177.4	41	-32.4	0	0	0	114
7	S	27	Very low	28.6	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	81%	0.805	S	S	*	*			trans	171.6	176.4	143.1	49	0	0	0	0	114.5
8	L	28.3	Very low	28.5	Very low	152 Å²	152	139 Å²	139	80%	0.796	81%	0.808	S	S	*	*			trans	95	99.2	175.7	-57.3	169	0	0	0	114.3
9	N	25.5	Very low	28.3	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	81%	0.807	S	S	*	*				56.9	118.6	63.1	-60.4	-21.1	0	0	0	112.3
10	R	26.1	Very low	28.1	Very low	228 Å²	228	143.3 Å²	143.3	86%	0.86	81%	0.809	S	S	*	*			cis	84.4	122.2	27.1	-154.3	-175.2	-165.1	-166.3	4.8	115.1
11	S	26.4	Very low	27.9	Very low	99 Å²	99	142 Å²	142	69%	0.692	80%	0.804	S	S	*	*			trans	64	119.6	159.7	48.2	0	0	0	0	121
12	Q	25.5	Very low	27.4	Very low	201 Å²	201	137.1 Å²	137.1	94%	0.939	79%	0.792	S	S	*	*				-139.4	163.7	122.6	-119.4	-176.8	28.1	0	0	111.3
13	S	27.3	Very low	28	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	79%	0.793	S	S	*	*			trans	-163.5	116.6	-153.8	50.3	0	0	0	0	114.1
14	L	26.5	Very low	28.7	Very low	171 Å²	171	134.5 Å²	134.5	90%	0.895	79%	0.791	S	S	*	*			trans	-143.5	119	164.4	-73.8	170.7	0	0	0	107.4
15	A	27	Very low	28.4	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	79%	0.794	S	S	*	*				77.2	135	57.6	0	0	0	0	0	112.2
16	S	26.8	Very low	28.3	Very low	127 Å²	127	140.7 Å²	140.7	89%	0.888	79%	0.79	S	S	*	*			cis	-148.9	172.2	17.3	53.2	0	0	0	0	111.8
17	G	23.8	Very low	27.4	Very low	66 Å²	66	143.5 Å²	143.5	68%	0.68	79%	0.79	S	S	*	*			cis	172.9	170.6	-2.7	0	0	0	0	0	112.5
18	L	26.5	Very low	27.4	Very low	164 Å²	164	143.5 Å²	143.5	86%	0.859	79%	0.787	S	S	*	*			trans	21.2	157.1	159.7	-82	68.2	0	0	0	122.4
19	E	24.8	Very low	27.1	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	79%	0.79	S	S	*	*			cis	170.3	146.4	-27.1	-113.6	-164.6	155.4	0	0	107.9
20	K	24.6	Very low	27.1	Very low	195 Å²	195	142.1 Å²	142.1	85%	0.848	79%	0.794	S	S	*	*			trans	175.6	109.2	139.5	-101.8	168.9	-178.1	177	0	117.2
21	T	23.4	Very low	27.1	Very low	116 Å²	116	136.5 Å²	136.5	71%	0.712	79%	0.79	S	S	*	*				41.8	104.8	129.8	62.2	0	0	0	0	123.5
22	S	20.8	Very low	27	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	80%	0.801	S	S	*	*				74.3	157.5	110.6	-57.1	0	0	0	0	123.7
23	P	43.9	Very low	26.9	Very low	117 Å²	117	136.9 Å²	136.9	76%	0.76	79%	0.793	S	S	*	*			trans	-122.4	-147.7	-154	46.4	-30.5	0	0	0	112.7
24	P	46	Very low	26.7	Very low	103 Å²	103	138 Å²	138	67%	0.669	80%	0.801	S	S	*	*			cis	-140.7	174.1	-10.3	41.9	-24.3	0	0	0	117.7
25	W	24.3	Very low	26.7	Very low	229 Å²	229	134 Å²	134	87%	0.867	79%	0.788	S	S	*	*				-175.2	141.4	121.7	-115.2	-42.3	0	0	0	115.8
26	N	23	Very low	27	Very low	122 Å²	122	136 Å²	136	65%	0.652	79%	0.789	S	S	*	*			trans	22.6	145.3	142.7	-74	-16.3	0	0	0	121.8
27	K	27.6	Very low	26.9	Very low	183 Å²	183	135.6 Å²	135.6	80%	0.796	78%	0.777	S	S	*	*			cis	-157.3	-165.1	11.6	-124.2	-176.2	-178.2	177.1	0	111.8
28	P	26.6	Very low	27.1	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	78%	0.782	S	S	*	*			trans	-96.5	165.2	-139.1	42.1	-38.6	0	0	0	117
29	A	22.6	Very low	27.3	Very low	103 Å²	103	133.2 Å²	133.2	85%	0.851	76%	0.764	S	S	*	*			trans	-80.9	146.7	163.6	0	0	0	0	0	112.1
30	L	26.2	Very low	27.4	Very low	163 Å²	163	134.2 Å²	134.2	85%	0.853	76%	0.76	S	S	*	*			trans	-109.4	146.4	177.8	-97.1	164.8	0	0	0	112
31	S	24.5	Very low	27.5	Very low	110 Å²	110	132.2 Å²	132.2	77%	0.769	75%	0.753	S	S	*	*			trans	-64.7	141.2	177.7	54.1	0	0	0	0	113.2
32	Q	25.1	Very low	27.8	Very low	197 Å²	197	130.7 Å²	130.7	92%	0.921	75%	0.747	S	S	*	*			trans	-122.1	129.7	158.7	-72.2	-162.5	-0.7	0	0	111.6
33	S	22.9	Very low	28.4	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	74%	0.742	S	S	*	*			trans	-86	124.6	-178	53.8	0	0	0	0	112.2	S35	S33-S35 PolarHBondContact O-N 2.99Å; S33-S35 VanDerWaalsContact O-N 3.15Å
34	S	24.5	Very low	27.8	Very low	126 Å²	126	134.6 Å²	134.6	88%	0.881	73%	0.734	S	S	*	*			trans	-71.9	101.7	172.1	40.8	0	0	0	0	111.1
35	S	26.6	Very low	27.6	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	73%	0.727	S	S	*	*			trans	-85.4	138.5	-170	63	0	0	0	0	114.6	S33 L37	S33-S35 PolarHBondContact O-N 2.99Å; S33-S35 VanDerWaalsContact O-N 3.15Å; S35-L37 PolarHBondContact O-N 3.1Å; S35-L37 VanDerWaalsContact O-N 3.13Å
36	T	31.4	Very low	28.6	Very low	137 Å²	137	128 Å²	128	84%	0.84	71%	0.712	S	S	*	*			trans	-76.1	94.8	178.2	51.1	0	0	0	0	112.2
37	L	26.7	Very low	29.8	Very low	120 Å²	120	131.2 Å²	131.2	63%	0.628	72%	0.721	S	S	*	*			trans	-111.1	-23.8	178.8	-87	162.7	0	0	0	115.9	S35 S39	S35-L37 PolarHBondContact O-N 3.1Å; S35-L37 VanDerWaalsContact O-N 3.13Å; L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.21Å
38	S	27.8	Very low	31.3	Very low	112 Å²	112	124.8 Å²	124.8	78%	0.783	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-32.9	-177.7	-171.9	0	0	0	0	113.9	R40	S38-R40 VanDerWaalsContact C-N 3.28Å; S38-R40 PolarHBondContact O-N 3.46Å; S38-R40 VanDerWaalsContact O-N 3.13Å
39	S	29.7	Very low	33.5	Very low	68 Å²	68	123.3 Å²	123.3	48%	0.476	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-173.5	-179.8	0	0	0	0	115.4	L37	L37-S39 VanDerWaalsContact C-N 3.31Å; L37-S39 PolarHBondContact O-N 3.21Å
40	R	27.4	Very low	36.4	Very low	188 Å²	188	122.2 Å²	122.2	71%	0.709	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-43.5	-175.8	-75.8	-173.8	173.4	-175.5	-1.8	112.4	S38 S42 R43 Q44	S38-R40 VanDerWaalsContact C-N 3.28Å; S38-R40 PolarHBondContact O-N 3.46Å; S38-R40 VanDerWaalsContact O-N 3.13Å; R40-S42 VanDerWaalsContact C-N 3.3Å; R40-S42 PolarHBondContact O-N 3.31Å; R40-R43 PolarHBondContact O-N 3.34Å; R40-Q44 PolarHBondContact O-N 3.18Å; R40-Q44 PolarHBondContact O-OE1 3.26Å
41	H	26.6	Very low	38.8	Very low	153 Å²	153	118.7 Å²	118.7	71%	0.708	64%	0.637	S	S	*	*	H	α-helix	trans	-57.1	-39.5	-176.4	-102.5	-62.2	0	0	0	113.4	R43 Q44 V45	H41-R43 VanDerWaalsContact C-N 3.26Å; H41-R43 PolarHBondContact O-N 2.82Å; H41-Q44 PolarHBondContact O-N 2.77Å; H41-V45 WeakPolarHBondContact O-CG2 3.46Å; H41-V45 PolarHBondContact O-N 2.91Å
42	S	30.6	Very low	41.1	Very low	84 Å²	84	114.2 Å²	114.2	59%	0.587	60%	0.604	S	S	*	*	H	α-helix	trans	-67.7	-22.2	179.8	-167.1	0	0	0	0	114	R40	R40-S42 VanDerWaalsContact C-N 3.3Å; R40-S42 PolarHBondContact O-N 3.31Å
43	R	33.4	Very low	42.8	Very low	191 Å²	191	111 Å²	111	72%	0.721	59%	0.593	S	S	*	*	H	α-helix	trans	-85.8	-29.7	178.9	-61.6	-170.8	-168.2	-171.1	5.3	112.5	R40 H41	R40-R43 PolarHBondContact O-N 3.34Å; H41-R43 VanDerWaalsContact C-N 3.26Å; H41-R43 PolarHBondContact O-N 2.82Å
44	Q	30.4	Very low	44.4	Very low	127 Å²	127	108.7 Å²	108.7	59%	0.593	57%	0.572	S	S	*	*	H	α-helix	trans	-64.1	-46.1	173	-114.4	88.7	6.7	0	0	111.6	R40 H41 I46 K47	R40-Q44 PolarHBondContact O-N 3.18Å; R40-Q44 PolarHBondContact O-OE1 3.26Å; H41-Q44 PolarHBondContact O-N 2.77Å; Q44-I46 PolarHBondContact O-N 3.49Å; Q44-I46 VanDerWaalsContact O-N 3.12Å; Q44-K47 PolarHBondContact O-N 2.68Å; Q44-K47 VanDerWaalsContact O-N 3.15Å
45	V	41.9	Very low	45.4	Very low	84 Å²	84	108.6 Å²	108.6	51%	0.509	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-59.9	-27.6	-169.4	170	0	0	0	0	114.3	H41 W49	H41-V45 WeakPolarHBondContact O-CG2 3.46Å; H41-V45 PolarHBondContact O-N 2.91Å; V45-W49 VanDerWaalsContact O-CD1 3.26Å
46	I	45.5	Very low	46	Very low	111 Å²	111	112.2 Å²	112.2	57%	0.569	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-77.9	-29.5	-177.4	-61.1	173.5	0	0	0	111.7	Q44 D48	Q44-I46 PolarHBondContact O-N 3.49Å; Q44-I46 VanDerWaalsContact O-N 3.12Å; I46-D48 PolarHBondContact O-N 3.15Å; I46-D48 VanDerWaalsContact O-N 3.15Å
47	K	48	Very low	46.1	Very low	189 Å²	189	111.1 Å²	111.1	82%	0.822	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-78.4	3.8	-173.7	-147.7	-175.2	179.7	-175.9	0	114.5	Q44	Q44-K47 PolarHBondContact O-N 2.68Å; Q44-K47 VanDerWaalsContact O-N 3.15Å
48	D	58.7	Low	46.4	Very low	47 Å²	47	112.5 Å²	112.5	25%	0.251	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-113.7	4.5	-173.5	-66.6	-18	0	0	0	113.2	I46 N130 K132	I46-D48 PolarHBondContact O-N 3.15Å; I46-D48 VanDerWaalsContact O-N 3.15Å; D48-N130 WeakPolarHBondContact CB-ND2 3.24Å; D48-N130 WeakPolarHBondContact O-CA 3.33Å; D48-N130 VanDerWaalsContact O-CG 3.26Å; D48-N130 PolarHBondContact O-ND2 2.89Å; D48-K132 HydrophobicContact CB-CD 4.39Å; D48-K132 WeakPolarHBondContact OD1-CE 3.37Å; D48-K132 IonicContact OD1-NZ 2.68Å; D48-K132 PolarHBondContact OD1-NZ 3.35Å; D48-K132 IonicContact OD2-NZ 3.21Å
49	W	72.6	Confident	46.5	Very low	80 Å²	80	115 Å²	115	30%	0.303	57%	0.566	S	S	.	*			trans	-105.6	141.3	176.9	-68.9	87.9	0	0	0	111.7	V45 I129 N130 R135 D137	V45-W49 VanDerWaalsContact O-CD1 3.26Å; W49-I129 WeakPolarHBondContact CA-O 3.42Å; W49-N130 HydrophobicContact CD2-CB 3.71Å; W49-N130 HydrophobicContact CE3-CB 3.74Å; W49-N130 HydrophobicContact CG-CB 4.34Å; W49-N130 HydrophobicContact CH2-CB 3.99Å; W49-N130 HydrophobicContact CZ2-CB 3.93Å; W49-N130 HydrophobicContact CZ3-CB 3.88Å; W49-N130 PolarHBondContact NE1-ND2 3.02Å; W49-R135 HydrophobicContact CH2-CB 3.83Å; W49-R135 HydrophobicContact CZ3-CB 4.31Å; W49-D137 HydrophobicContact CH2-CB 4.47Å; W49-D137 HydrophobicContact CZ3-CB 4Å
50	E	83.2	Confident	46.4	Very low	81 Å²	81	120.6 Å²	120.6	38%	0.379	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.3	123.7	-173.6	-170.2	178.2	129	0	0	107.9	I52 S128 I129 K131	E50-I52 HydrophobicContact CG-CD1 4.15Å; E50-S128 CarbonylContact O-C 3.58Å; E50-S128 VanDerWaalsContact O-CA 3.32Å; E50-S128 WeakPolarHBondContact O-CA 3.26Å; E50-I129 HydrophobicContact CB-CG1 4.22Å; E50-I129 PolarHBondContact N-O 2.75Å; E50-I129 PolarHBondContact O-N 3.24Å; E50-K131 WeakPolarHBondContact OE1-CE 3.41Å; E50-K131 IonicContact OE1-NZ 2.72Å; E50-K131 PolarHBondContact OE1-NZ 3.33Å; E50-K131 VanDerWaalsContact OE2-CE 3.25Å; E50-K131 WeakPolarHBondContact OE2-CE 3.38Å; E50-K131 IonicContact OE2-NZ 2.67Å; E50-K131 PolarHBondContact OE2-NZ 3.16Å
51	V	77.3	Confident	46.6	Very low	88 Å²	88	117.1 Å²	117.1	53%	0.533	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.7	136	171.8	-179.6	0	0	0	0	107.6	V126	V51-V126 HydrophobicContact CG1-CG1 4.12Å
52	I	72.1	Confident	46.7	Very low	17 Å²	17	113 Å²	113	9%	0.087	60%	0.595	C	S	.	*			trans	-105.6	94.5	-177.4	-60	-60.6	0	0	0	109.1	E50 M127 I129 Q163 R166	E50-I52 HydrophobicContact CG-CD1 4.15Å; I52-M127 HydrophobicContact CB-CE 3.73Å; I52-M127 HydrophobicContact CG1-CE 4.05Å; I52-M127 HydrophobicContact CG2-CE 3.63Å; I52-M127 PolarHBondContact N-O 2.96Å; I52-I129 HydrophobicContact CD1-CD1 3.61Å; I52-I129 HydrophobicContact CD1-CG1 3.94Å; I52-I129 HydrophobicContact CG1-CD1 3.74Å; I52-I129 HydrophobicContact CG1-CG1 3.81Å; I52-I129 HydrophobicContact CG1-CG2 4Å; I52-Q163 HydrophobicContact CG2-CG 3.98Å; I52-R166 PolarHBondContact O-NH1 2.77Å
53	D	61.6	Low	46.6	Very low	129 Å²	129	113.9 Å²	113.9	69%	0.69	60%	0.601	S	S	*	*			trans	-63.6	162.2	164.1	-65.7	-48.8	0	0	0	111	L55	D53-L55 VanDerWaalsContact C-N 3.35Å; D53-L55 PolarHBondContact O-N 3.01Å
54	D	57.1	Low	46.4	Very low	62 Å²	62	113.5 Å²	113.5	33%	0.332	61%	0.607	S	S	.	*			trans	-76.9	82.8	-173.3	-56.9	-17.7	0	0	0	110.7	Q56 R166 K170	D54-Q56 PolarHBondContact O-N 3.29Å; D54-R166 IonicContact OD1-CZ 3.02Å; D54-R166 IonicContact OD1-NH1 3.22Å; D54-R166 PolarHBondContact OD1-NH1 3.27Å; D54-R166 IonicContact OD1-NH2 2.83Å; D54-R166 PolarHBondContact OD1-NH2 2.99Å; D54-R166 IonicContact OD2-NH2 3.68Å; D54-K170 IonicContact OD2-NZ 3.23Å; D54-K170 PolarHBondContact OD2-NZ 3.09Å
55	L	44	Very low	46.3	Very low	124 Å²	124	112 Å²	112	65%	0.649	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-53.9	128.1	177.6	-81.7	168	0	0	0	112.1	D53 V57	D53-L55 VanDerWaalsContact C-N 3.35Å; D53-L55 PolarHBondContact O-N 3.01Å; L55-V57 PolarHBondContact O-N 2.98Å
56	Q	40	Very low	46	Very low	164 Å²	164	114.2 Å²	114.2	77%	0.766	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-60.2	125.9	162.2	-68.1	174.5	-15.5	0	0	108.9	D54	D54-Q56 PolarHBondContact O-N 3.29Å
57	V	34.3	Very low	45.5	Very low	114 Å²	114	116.8 Å²	116.8	69%	0.691	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-83.7	116.1	167.6	177.1	0	0	0	0	107.3	L55 M59	L55-V57 PolarHBondContact O-N 2.98Å; V57-M59 PolarHBondContact O-N 3.21Å
58	E	32.4	Very low	45.4	Very low	149 Å²	149	115.3 Å²	115.3	70%	0.696	64%	0.637	S	S	*	*			trans	-67.1	95.1	171.9	-66.6	-170.7	132.2	0	0	109.6	Q60 K357	E58-Q60 PolarHBondContact O-N 3.22Å; E58-K357 IonicContact OE1-NZ 3.94Å; E58-K357 PolarHBondContact OE1-NZ 2.97Å
59	M	30.5	Very low	45.1	Very low	164 Å²	164	118.7 Å²	118.7	81%	0.808	65%	0.652	S	S	*	*			trans	-68.6	122.7	162.8	-78.7	-175.5	64.2	0	0	108.7	V57	V57-M59 PolarHBondContact O-N 3.21Å
60	Q	27.4	Very low	44.4	Very low	187 Å²	187	119.4 Å²	119.4	87%	0.874	67%	0.67	S	S	*	*			trans	-64.2	138.8	172.7	-67.2	176.4	-31.3	0	0	109.5	E58 G62	E58-Q60 PolarHBondContact O-N 3.22Å; Q60-G62 PolarHBondContact O-N 2.81Å
61	A	31.7	Very low	43.6	Very low	114 Å²	114	119.2 Å²	119.2	94%	0.942	68%	0.676	S	S	*	*	S	Bend	trans	-66.4	114.4	-178.3	0	0	0	0	0	110.9
62	G	28.9	Very low	43.9	Very low	68 Å²	68	116.4 Å²	116.4	70%	0.701	66%	0.659	S	S	*	*			trans	-178.7	88.3	-177.7	0	0	0	0	0	114.8	Q60	Q60-G62 PolarHBondContact O-N 2.81Å
63	S	28	Very low	44.3	Very low	101 Å²	101	117.8 Å²	117.8	71%	0.706	68%	0.678	S	S	*	*			trans	72.6	147.7	167.9	-140.5	0	0	0	0	119.9
64	E	28.8	Very low	45.5	Very low	183 Å²	183	116.2 Å²	116.2	86%	0.855	67%	0.667	S	S	*	*			trans	70.2	165	156.4	-78.6	146.8	-100.5	0	0	121.9
65	C	27.8	Very low	47.2	Very low	95 Å²	95	113.9 Å²	113.9	64%	0.642	66%	0.656	S	S	*	*			trans	-77.7	150.3	-159.4	-171.7	0	0	0	0	112.3	Q67	C65-Q67 PolarHBondContact O-N 2.84Å
66	P	35.6	Very low	49.6	Very low	131 Å²	131	112 Å²	112	85%	0.851	64%	0.644	S	S	*	*			trans	-68.5	75.3	170.3	30.4	-37.9	0	0	0	112.1
67	Q	36.2	Very low	52.2	Low	166 Å²	166	104.9 Å²	104.9	78%	0.776	61%	0.614	S	S	*	*			trans	-84.4	165.3	162	-66.6	-168.1	-12.7	0	0	110.5	C65 M69	C65-Q67 PolarHBondContact O-N 2.84Å; Q67-M69 PolarHBondContact O-N 3.45Å
68	D	44.8	Very low	55.1	Low	158 Å²	158	103.4 Å²	103.4	85%	0.845	60%	0.597	S	S	*	*			trans	-46.1	128.6	-166.2	-66.3	-64.7	0	0	0	115	S70	D68-S70 VanDerWaalsContact C-N 3.26Å; D68-S70 PolarHBondContact O-N 3.49Å
69	M	52.4	Low	58.2	Low	117 Å²	117	96.6 Å²	96.6	58%	0.576	57%	0.565	S	S	*	*			trans	-65.3	91.3	161.5	-84.3	-164.4	171.8	0	0	109.1	Q67 Y168 N171	Q67-M69 PolarHBondContact O-N 3.45Å; M69-Y168 WeakPolarHBondContact O-CE2 3.32Å; M69-N171 PolarHBondContact SD-ND2 2.86Å
70	S	58.5	Low	61.3	Low	96 Å²	96	90.3 Å²	90.3	67%	0.671	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-49.5	140.4	173.1	62.8	0	0	0	0	111.1	D68	D68-S70 VanDerWaalsContact C-N 3.26Å; D68-S70 PolarHBondContact O-N 3.49Å
71	P	67.1	Low	64.4	Low	77 Å²	77	82.3 Å²	82.3	50%	0.5	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-58.2	131.5	-173.7	21.6	-32.8	0	0	0	110.7	G73 Y168	P71-G73 PolarHBondContact O-N 2.93Å; P71-G73 VanDerWaalsContact O-N 3.15Å; P71-Y168 HydrophobicContact CB-CE1 4.18Å; P71-Y168 HydrophobicContact CB-CE2 4.19Å
72	P	83.5	Confident	67.3	Low	29 Å²	29	82.7 Å²	82.7	19%	0.188	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-54.2	125.1	-179.4	-26.2	32.6	0	0	0	110.8	M74 A164 H165 Y168	P72-M74 PolarHBondContact O-N 2.79Å; P72-A164 HydrophobicContact CB-CB 4.33Å; P72-A164 HydrophobicContact CG-CB 4.42Å; P72-H165 PolarHBondContact O-CE1 3.48Å; P72-H165 PolarHBondContact O-NE2 3.39Å; P72-Y168 HydrophobicContact CG-CG 4.07Å
73	G	79	Confident	69.7	Low	46 Å²	46	83.1 Å²	83.1	47%	0.474	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-57.2	134.9	-172.6	0	0	0	0	0	112.4	P71 K161	P71-G73 PolarHBondContact O-N 2.93Å; P71-G73 VanDerWaalsContact O-N 3.15Å; G73-K161 PolarHBondContact O-NZ 2.86Å
74	M	87.4	Confident	71.9	Confident	96 Å²	96	86.9 Å²	86.9	47%	0.473	46%	0.458	S	S	.	.			trans	-44.1	139.7	-172.7	-175.8	176.4	71.7	0	0	113.6	P72 E76 V96 L97 E98	P72-M74 PolarHBondContact O-N 2.79Å; M74-E76 HydrophobicContact CE-CG 4.14Å; M74-V96 HydrophobicContact CG-CG1 3.99Å; M74-V96 HydrophobicContact SD-CG1 3.65Å; M74-L97 WeakPolarHBondContact CA-O 3.41Å; M74-E98 HydrophobicContact CG-CB 4.35Å
75	C	93.2	Very high	73.2	Confident	12 Å²	12	88.2 Å²	88.2	8%	0.081	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.7	171.9	-172.6	0	0	0	0	110	L97 W158 K161	C75-L97 HydrophobicContact CB-CB 4.34Å; C75-L97 PolarHBondContact N-O 2.81Å; C75-L97 PolarHBondContact O-N 3.35Å; C75-W158 VanDerWaalsContact O-CH2 3.3Å; C75-W158 WeakPolarHBondContact O-CH2 3.41Å; C75-K161 HydrophobicContact CB-CB 3.96Å; C75-K161 HydrophobicContact CB-CD 4Å; C75-K161 HydrophobicContact CB-CG 3.81Å
76	E	94.5	Very high	73.9	Confident	86 Å²	86	88.6 Å²	88.6	40%	0.402	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155	177.2	62.6	164.4	-151.9	0	0	112.6	M74 Y94 F95 V96 Q108	M74-E76 HydrophobicContact CE-CG 4.14Å; E76-Y94 HydrophobicContact CB-CE1 3.89Å; E76-Y94 WeakPolarHBondContact CB-OH 3.36Å; E76-Y94 HydrophobicContact CG-CE1 4.42Å; E76-Y94 VanDerWaalsContact CG-OH 3.22Å; E76-Y94 WeakPolarHBondContact CG-OH 3.47Å; E76-Y94 PolarHBondContact OE1-OH 2.92Å; E76-Y94 PolarHBondContact OE2-OH 3.16Å; E76-F95 CarbonylContact C-O 3.54Å; E76-F95 VanDerWaalsContact CA-O 3.24Å; E76-F95 WeakPolarHBondContact CA-O 3.37Å; E76-V96 HydrophobicContact CB-CB 4.48Å; E76-V96 HydrophobicContact CB-CG1 4.47Å; E76-V96 HydrophobicContact CB-CG2 4.02Å; E76-Q108 PolarHBondContact OE1-NE2 2.95Å
77	G	93.9	Very high	75.1	Confident	14 Å²	14	86.9 Å²	86.9	14%	0.144	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.4	179.2	-179.4	0	0	0	0	0	115.9	F95	G77-F95 PolarHBondContact N-O 3.48Å; G77-F95 PolarHBondContact O-N 3.48Å
78	Y	95.8	Very high	76.7	Confident	83 Å²	83	86.8 Å²	86.8	33%	0.325	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.8	-176.8	-74.2	-74.8	0	0	0	113.2	K92 R93 Y94 Q108	Y78-K92 HydrophobicContact CD1-CD 3.98Å; Y78-K92 HydrophobicContact CD1-CG 3.84Å; Y78-K92 HydrophobicContact CE1-CD 4.44Å; Y78-K92 HydrophobicContact CG-CD 4.4Å; Y78-K92 HydrophobicContact CG-CG 4.4Å; Y78-R93 WeakPolarHBondContact CA-O 3.31Å; Y78-Y94 AromaticContact CD1-CD2 3.69Å; Y78-Y94 HydrophobicContact CD1-CD2 3.69Å; Y78-Y94 HydrophobicContact CD1-CG 4.45Å; Y78-Y94 AromaticContact CD2-CD2 3.75Å; Y78-Y94 HydrophobicContact CD2-CD2 3.75Å; Y78-Y94 AromaticContact CD2-CE2 3.96Å; Y78-Y94 HydrophobicContact CD2-CE2 3.96Å; Y78-Y94 AromaticContact CE1-CD2 3.57Å; Y78-Y94 HydrophobicContact CE1-CD2 3.57Å; Y78-Y94 HydrophobicContact CE1-CG 4.22Å; Y78-Y94 AromaticContact CE2-CD2 3.59Å; Y78-Y94 HydrophobicContact CE2-CD2 3.59Å; Y78-Y94 AromaticContact CE2-CE2 3.79Å; Y78-Y94 HydrophobicContact CE2-CE2 3.79Å; Y78-Y94 AromaticContact CG-CD2 3.8Å; Y78-Y94 HydrophobicContact CG-CD2 3.8Å; Y78-Y94 HydrophobicContact CG-CE2 4.38Å; Y78-Y94 AromaticContact CZ-CD2 3.48Å; Y78-Y94 VanDerWaalsContact CZ-CD2 3.48Å; Y78-Q108 PolarHBondContact OH-N 2.76Å
79	L	96.1	Very high	78.5	Confident	5 Å²	5	80.5 Å²	80.5	3%	0.026	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	170.3	171.8	-57.7	175.8	0	0	0	111	K92 R93 F95 I147 A149 W158	L79-K92 WeakPolarHBondContact O-CA 3.48Å; L79-R93 PolarHBondContact N-O 3.3Å; L79-R93 PolarHBondContact O-N 2.73Å; L79-R93 VanDerWaalsContact O-O 3.12Å; L79-F95 HydrophobicContact CB-CD2 3.75Å; L79-F95 HydrophobicContact CB-CE2 3.81Å; L79-F95 HydrophobicContact CD1-CD2 4.23Å; L79-F95 HydrophobicContact CD1-CG 4.42Å; L79-F95 HydrophobicContact CG-CD2 4.25Å; L79-I147 HydrophobicContact CB-CG2 3.73Å; L79-I147 HydrophobicContact CD1-CG2 3.5Å; L79-I147 HydrophobicContact CG-CG2 4.22Å; L79-A149 HydrophobicContact CD2-CB 3.87Å; L79-W158 HydrophobicContact CD1-CD2 3.65Å; L79-W158 HydrophobicContact CD1-CE3 4Å; L79-W158 HydrophobicContact CD1-CG 3.94Å; L79-W158 HydrophobicContact CD1-CZ2 4.28Å; L79-W158 HydrophobicContact CD1-CZ3 4.46Å; L79-W158 HydrophobicContact CD2-CG 4.35Å; L79-W158 HydrophobicContact CG-CD2 4.47Å
80	L	95.7	Very high	80.3	Confident	33 Å²	33	79 Å²	79	17%	0.173	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.8	173.1	-60.9	172.1	0	0	0	109.5	W90 H91 K92 I147 K148	L80-W90 HydrophobicContact CB-CB 4.26Å; L80-W90 HydrophobicContact CB-CE3 4.01Å; L80-W90 HydrophobicContact CD1-CB 4.48Å; L80-W90 WeakPolarHBondContact O-CZ3 3.08Å; L80-H91 CarbonylContact C-O 3.55Å; L80-H91 WeakPolarHBondContact CA-O 3.45Å; L80-K92 HydrophobicContact CD2-CB 4.36Å; L80-I147 CarbonylContact O-C 3.53Å; L80-I147 WeakPolarHBondContact O-CA 3.23Å; L80-K148 HydrophobicContact CB-CB 4.24Å; L80-K148 WeakPolarHBondContact CB-O 3.37Å; L80-K148 HydrophobicContact CD1-CD 4.47Å; L80-K148 PolarHBondContact N-O 2.69Å; L80-K148 PolarHBondContact O-N 2.79Å
81	K	94.4	Very high	81.9	Confident	18 Å²	18	76.9 Å²	76.9	8%	0.078	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.6	171	-158.1	174.2	-157.4	-88.7	0	109.8	H91 R93 F95 Y104 Y145	K81-H91 PolarHBondContact N-O 2.97Å; K81-H91 PolarHBondContact O-N 3.26Å; K81-R93 HydrophobicContact CB-CB 4.47Å; K81-R93 HydrophobicContact CB-CG 4.11Å; K81-F95 HydrophobicContact CB-CE2 4.25Å; K81-F95 HydrophobicContact CB-CZ 3.94Å; K81-F95 HydrophobicContact CD-CE1 4.48Å; K81-F95 HydrophobicContact CD-CZ 3.88Å; K81-F95 HydrophobicContact CG-CZ 4.01Å; K81-Y104 HydrophobicContact CD-CD1 4.21Å; K81-Y104 HydrophobicContact CD-CD2 3.78Å; K81-Y104 HydrophobicContact CD-CE1 3.96Å; K81-Y104 HydrophobicContact CD-CE2 3.46Å; K81-Y104 VanDerWaalsContact CD-CE2 3.46Å; K81-Y104 HydrophobicContact CD-CG 4.15Å; K81-Y104 VanDerWaalsContact CE-CE1 3.49Å; K81-Y145 VanDerWaalsContact CE-CD2 3.44Å; K81-Y145 VanDerWaalsContact NZ-CE1 3.33Å
82	R	91.3	Very high	83.2	Confident	123 Å²	123	78.5 Å²	78.5	46%	0.464	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.9	173.1	-157.9	178.9	175.4	-168.1	0.4	109.9	G89 W90 H146	R82-G89 CarbonylContact C-O 3.58Å; R82-G89 WeakPolarHBondContact CA-O 3.3Å; R82-W90 HydrophobicContact CB-CD2 4.25Å; R82-W90 HydrophobicContact CB-CE3 3.88Å; R82-W90 HydrophobicContact CB-CH2 4.06Å; R82-W90 HydrophobicContact CB-CZ2 4.4Å; R82-W90 HydrophobicContact CB-CZ3 3.78Å; R82-W90 HydrophobicContact CG-CD2 4.37Å; R82-W90 HydrophobicContact CG-CE3 4.49Å; R82-W90 HydrophobicContact CG-CZ2 4.38Å; R82-H146 HydrophobicContact CB-CB 3.66Å; R82-H146 PolarHBondContact N-O 2.79Å
83	R	79.9	Confident	83.7	Confident	77 Å²	77	78.5 Å²	78.5	29%	0.291	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149	173.2	-80.5	-176.2	149.1	-147.2	-12.4	111.4	L87 G89	R83-L87 WeakPolarHBondContact CB-O 3.21Å; R83-G89 PolarHBondContact N-O 2.73Å; R83-G89 PolarHBondContact O-N 2.74Å
84	K	74.8	Confident	84.5	Confident	180 Å²	180	76.7 Å²	76.7	78%	0.783	35%	0.351	S	S	*	.			trans	-84.3	-177.9	172.4	-63.9	179.4	-179.1	175.4	0	109.4	L87 K88	K84-L87 CarbonylContact O-C 3.24Å; K84-L87 PolarHBondContact O-N 3.03Å; K84-K88 PolarHBondContact O-N 3.3Å
85	W	55.6	Low	85	Confident	211 Å²	211	72.1 Å²	72.1	80%	0.799	33%	0.329	S	S	*	.	S	Bend	trans	-56.9	149	175.3	-101.6	88	0	0	0	111.6
86	P	42.9	Very low	85.1	Confident	103 Å²	103	72.4 Å²	72.4	67%	0.669	33%	0.33	S	S	*	.	S	Bend	cis	-76.2	-27.3	-2	29.4	-33.9	0	0	0	114.3	K88	P86-K88 PolarHBondContact O-N 2.85Å
87	L	60	Low	85.1	Confident	95 Å²	95	68.3 Å²	68.3	50%	0.497	31%	0.31	S	S	.	.	S	Bend	trans	-82	58.2	-177	-65.2	168.8	0	0	0	112.1	R83 K84 G89 H91	R83-L87 WeakPolarHBondContact CB-O 3.21Å; K84-L87 CarbonylContact O-C 3.24Å; K84-L87 PolarHBondContact O-N 3.03Å; L87-G89 PolarHBondContact O-N 3.15Å; L87-H91 PolarHBondContact O-CE1 3.36Å
88	K	69.4	Low	85	Confident	163 Å²	163	71.2 Å²	71.2	71%	0.709	32%	0.32	S	S	*	.			trans	-66.8	98	-176.5	-178.7	-171.4	175.3	-173.9	0	111.5	K84 P86	K84-K88 PolarHBondContact O-N 3.3Å; P86-K88 PolarHBondContact O-N 2.85Å
89	G	82.5	Confident	84.6	Confident	26 Å²	26	69 Å²	69	27%	0.268	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	179.8	176.8	0	0	0	0	0	115.6	R82 R83 L87 H91	R82-G89 CarbonylContact C-O 3.58Å; R82-G89 WeakPolarHBondContact CA-O 3.3Å; R83-G89 PolarHBondContact N-O 2.73Å; R83-G89 PolarHBondContact O-N 2.74Å; L87-G89 PolarHBondContact O-N 3.15Å; G89-H91 PolarHBondContact O-ND1 2.97Å
90	W	90.7	Very high	84.2	Confident	86 Å²	86	68.8 Å²	68.8	33%	0.326	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.3	173.9	-70.9	105.7	0	0	0	110.1	L80 R82 H146 K148	L80-W90 HydrophobicContact CB-CB 4.26Å; L80-W90 HydrophobicContact CB-CE3 4.01Å; L80-W90 HydrophobicContact CD1-CB 4.48Å; L80-W90 WeakPolarHBondContact O-CZ3 3.08Å; R82-W90 HydrophobicContact CB-CD2 4.25Å; R82-W90 HydrophobicContact CB-CE3 3.88Å; R82-W90 HydrophobicContact CB-CH2 4.06Å; R82-W90 HydrophobicContact CB-CZ2 4.4Å; R82-W90 HydrophobicContact CB-CZ3 3.78Å; R82-W90 HydrophobicContact CG-CD2 4.37Å; R82-W90 HydrophobicContact CG-CE3 4.49Å; R82-W90 HydrophobicContact CG-CZ2 4.38Å; W90-H146 HydrophobicContact CH2-CB 4.04Å; W90-H146 HydrophobicContact CZ3-CB 4.34Å; W90-K148 HydrophobicContact CD2-CB 4.46Å; W90-K148 HydrophobicContact CE3-CB 3.9Å; W90-K148 HydrophobicContact CH2-CB 3.92Å; W90-K148 HydrophobicContact CZ2-CB 4.47Å; W90-K148 HydrophobicContact CZ3-CB 3.61Å
91	H	91.3	Very high	84.1	Confident	52 Å²	52	69 Å²	69	24%	0.241	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.6	-174.5	-69	75.7	0	0	0	111.1	L80 K81 L87 G89 R93	L80-H91 CarbonylContact C-O 3.55Å; L80-H91 WeakPolarHBondContact CA-O 3.45Å; K81-H91 PolarHBondContact N-O 2.97Å; K81-H91 PolarHBondContact O-N 3.26Å; L87-H91 PolarHBondContact O-CE1 3.36Å; G89-H91 PolarHBondContact O-ND1 2.97Å; H91-R93 PolarHBondContact O-N 3.43Å
92	K	94.6	Very high	84.1	Confident	110 Å²	110	68.2 Å²	68.2	48%	0.478	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	128.3	171.2	-164.3	-171.6	-174.7	-157	0	109	Y78 L79 L80	Y78-K92 HydrophobicContact CD1-CD 3.98Å; Y78-K92 HydrophobicContact CD1-CG 3.84Å; Y78-K92 HydrophobicContact CE1-CD 4.44Å; Y78-K92 HydrophobicContact CG-CD 4.4Å; Y78-K92 HydrophobicContact CG-CG 4.4Å; L79-K92 WeakPolarHBondContact O-CA 3.48Å; L80-K92 HydrophobicContact CD2-CB 4.36Å
93	R	95.1	Very high	84.2	Confident	30 Å²	30	66.1 Å²	66.1	11%	0.113	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.4	175	-73.8	-66.1	178.3	-86.4	11	108.6	Y78 L79 K81 H91 F95 Y104 S105	Y78-R93 WeakPolarHBondContact CA-O 3.31Å; L79-R93 PolarHBondContact N-O 3.3Å; L79-R93 PolarHBondContact O-N 2.73Å; L79-R93 VanDerWaalsContact O-O 3.12Å; K81-R93 HydrophobicContact CB-CB 4.47Å; K81-R93 HydrophobicContact CB-CG 4.11Å; H91-R93 PolarHBondContact O-N 3.43Å; R93-F95 HydrophobicContact CB-CD2 4.24Å; R93-F95 HydrophobicContact CB-CE2 3.81Å; R93-Y104 HydrophobicContact CB-CD2 4.05Å; R93-Y104 HydrophobicContact CG-CD2 3.89Å; R93-Y104 HydrophobicContact CG-CE2 4.21Å; R93-S105 WeakPolarHBondContact CD-O 3.3Å
94	Y	95.9	Very high	84.9	Confident	8 Å²	8	63.6 Å²	63.6	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	170.5	-159.3	-103.4	0	0	0	107.9	E76 Y78 V96 Y104 S105 Q108 A111	E76-Y94 HydrophobicContact CB-CE1 3.89Å; E76-Y94 WeakPolarHBondContact CB-OH 3.36Å; E76-Y94 HydrophobicContact CG-CE1 4.42Å; E76-Y94 VanDerWaalsContact CG-OH 3.22Å; E76-Y94 WeakPolarHBondContact CG-OH 3.47Å; E76-Y94 PolarHBondContact OE1-OH 2.92Å; E76-Y94 PolarHBondContact OE2-OH 3.16Å; Y78-Y94 AromaticContact CD1-CD2 3.69Å; Y78-Y94 HydrophobicContact CD1-CD2 3.69Å; Y78-Y94 HydrophobicContact CD1-CG 4.45Å; Y78-Y94 AromaticContact CD2-CD2 3.75Å; Y78-Y94 HydrophobicContact CD2-CD2 3.75Å; Y78-Y94 AromaticContact CD2-CE2 3.96Å; Y78-Y94 HydrophobicContact CD2-CE2 3.96Å; Y78-Y94 AromaticContact CE1-CD2 3.57Å; Y78-Y94 HydrophobicContact CE1-CD2 3.57Å; Y78-Y94 HydrophobicContact CE1-CG 4.22Å; Y78-Y94 AromaticContact CE2-CD2 3.59Å; Y78-Y94 HydrophobicContact CE2-CD2 3.59Å; Y78-Y94 AromaticContact CE2-CE2 3.79Å; Y78-Y94 HydrophobicContact CE2-CE2 3.79Å; Y78-Y94 AromaticContact CG-CD2 3.8Å; Y78-Y94 HydrophobicContact CG-CD2 3.8Å; Y78-Y94 HydrophobicContact CG-CE2 4.38Å; Y78-Y94 AromaticContact CZ-CD2 3.48Å; Y78-Y94 VanDerWaalsContact CZ-CD2 3.48Å; Y94-V96 HydrophobicContact CD1-CG2 4Å; Y94-V96 HydrophobicContact CE1-CG2 3.87Å; Y94-Y104 CarbonylContact O-C 3.6Å; Y94-Y104 WeakPolarHBondContact O-CA 3.31Å; Y94-Y104 WeakPolarHBondContact O-CB 3.02Å; Y94-S105 PolarHBondContact N-O 2.85Å; Y94-S105 VanDerWaalsContact N-O 3.12Å; Y94-S105 PolarHBondContact O-N 3.42Å; Y94-Q108 HydrophobicContact CD1-CB 4.12Å; Y94-Q108 HydrophobicContact CD1-CG 4.23Å; Y94-Q108 HydrophobicContact CD2-CB 3.91Å; Y94-Q108 HydrophobicContact CD2-CG 4.42Å; Y94-Q108 HydrophobicContact CE1-CB 4.08Å; Y94-Q108 HydrophobicContact CE1-CG 3.71Å; Y94-Q108 HydrophobicContact CE2-CB 3.86Å; Y94-Q108 HydrophobicContact CE2-CG 3.91Å; Y94-Q108 HydrophobicContact CG-CB 4.03Å; Y94-Q108 PolarHBondContact OH-NE2 3.28Å; Y94-A111 HydrophobicContact CD1-CB 3.84Å; Y94-A111 HydrophobicContact CE1-CB 4.39Å
95	F	96.7	Very high	85.9	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.5	177	-75.9	-100.1	0	0	0	109	E76 G77 L79 K81 R93 L102 R103 Y104 I147 W158	E76-F95 CarbonylContact C-O 3.54Å; E76-F95 VanDerWaalsContact CA-O 3.24Å; E76-F95 WeakPolarHBondContact CA-O 3.37Å; G77-F95 PolarHBondContact N-O 3.48Å; G77-F95 PolarHBondContact O-N 3.48Å; L79-F95 HydrophobicContact CB-CD2 3.75Å; L79-F95 HydrophobicContact CB-CE2 3.81Å; L79-F95 HydrophobicContact CD1-CD2 4.23Å; L79-F95 HydrophobicContact CD1-CG 4.42Å; L79-F95 HydrophobicContact CG-CD2 4.25Å; K81-F95 HydrophobicContact CB-CE2 4.25Å; K81-F95 HydrophobicContact CB-CZ 3.94Å; K81-F95 HydrophobicContact CD-CE1 4.48Å; K81-F95 HydrophobicContact CD-CZ 3.88Å; K81-F95 HydrophobicContact CG-CZ 4.01Å; R93-F95 HydrophobicContact CB-CD2 4.24Å; R93-F95 HydrophobicContact CB-CE2 3.81Å; F95-L102 HydrophobicContact CB-CD1 4.39Å; F95-L102 HydrophobicContact CD1-CD1 3.9Å; F95-L102 HydrophobicContact CD1-CD2 4.23Å; F95-L102 HydrophobicContact CD1-CG 4.05Å; F95-L102 HydrophobicContact CE1-CD2 4.37Å; F95-R103 WeakPolarHBondContact CA-O 3.36Å; F95-Y104 HydrophobicContact CD1-CG 4.5Å; F95-Y104 HydrophobicContact CE1-CG 4.15Å; F95-Y104 HydrophobicContact CZ-CG 4.39Å; F95-I147 HydrophobicContact CD1-CD1 4.42Å; F95-I147 HydrophobicContact CE1-CD1 3.66Å; F95-I147 HydrophobicContact CE1-CG1 4.22Å; F95-I147 HydrophobicContact CE2-CG2 4.44Å; F95-I147 HydrophobicContact CZ-CD1 3.94Å; F95-I147 HydrophobicContact CZ-CG1 4Å; F95-I147 HydrophobicContact CZ-CG2 4.28Å; F95-W158 HydrophobicContact CB-CH2 3.57Å; F95-W158 HydrophobicContact CB-CZ2 4.17Å; F95-W158 HydrophobicContact CB-CZ3 4.13Å
96	V	95.6	Very high	87.6	Confident	17 Å²	17	50.7 Å²	50.7	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.4	172.6	-177.8	0	0	0	0	107	M74 E76 Y94 E98 R103 A111	M74-V96 HydrophobicContact CG-CG1 3.99Å; M74-V96 HydrophobicContact SD-CG1 3.65Å; E76-V96 HydrophobicContact CB-CB 4.48Å; E76-V96 HydrophobicContact CB-CG1 4.47Å; E76-V96 HydrophobicContact CB-CG2 4.02Å; Y94-V96 HydrophobicContact CD1-CG2 4Å; Y94-V96 HydrophobicContact CE1-CG2 3.87Å; V96-E98 HydrophobicContact CG1-CB 4.5Å; V96-R103 PolarHBondContact N-O 3.03Å; V96-R103 PolarHBondContact O-N 3.23Å; V96-A111 HydrophobicContact CG2-CB 4.24Å
97	L	94.3	Very high	89.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	174.8	177.4	65.9	0	0	0	108.3	M74 C75 I101 L102 V122 W158 K161 L162 H165	M74-L97 WeakPolarHBondContact CA-O 3.41Å; C75-L97 HydrophobicContact CB-CB 4.34Å; C75-L97 PolarHBondContact N-O 2.81Å; C75-L97 PolarHBondContact O-N 3.35Å; L97-I101 WeakPolarHBondContact CA-O 3.18Å; L97-L102 HydrophobicContact CB-CD1 3.89Å; L97-L102 HydrophobicContact CD1-CB 4Å; L97-L102 HydrophobicContact CD1-CD1 4.23Å; L97-V122 HydrophobicContact CD1-CG1 4.13Å; L97-V122 HydrophobicContact CD1-CG2 4.29Å; L97-W158 HydrophobicContact CB-CH2 4.46Å; L97-W158 HydrophobicContact CB-CZ3 3.93Å; L97-K161 HydrophobicContact CD2-CB 4.18Å; L97-L162 HydrophobicContact CD1-CD2 4.18Å; L97-L162 HydrophobicContact CD2-CD2 3.74Å; L97-L162 HydrophobicContact CD2-CG 4.03Å; L97-H165 HydrophobicContact CD1-CB 4.16Å; L97-H165 HydrophobicContact CD2-CB 4.22Å; L97-H165 WeakPolarHBondContact CD2-CD2 3.49Å; L97-H165 HydrophobicContact CG-CB 4.27Å; L97-H165 VanDerWaalsContact CG-CD2 3.43Å; L97-H165 WeakPolarHBondContact CG-CD2 3.4Å
98	E	92.1	Very high	91.5	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.4	-170.8	177.8	-170.7	-121.6	0	0	108.5	M74 V96 G100 I101 R103	M74-E98 HydrophobicContact CG-CB 4.35Å; V96-E98 HydrophobicContact CG1-CB 4.5Å; E98-G100 PolarHBondContact O-N 3.39Å; E98-I101 PolarHBondContact N-O 3.23Å; E98-I101 VanDerWaalsContact N-O 3.11Å; E98-I101 PolarHBondContact O-N 3.41Å; E98-R103 IonicContact OE2-CZ 3.26Å; E98-R103 VanDerWaalsContact OE2-CZ 3.25Å; E98-R103 IonicContact OE2-NH1 2.68Å; E98-R103 PolarHBondContact OE2-NH1 2.77Å; E98-R103 IonicContact OE2-NH2 2.82Å; E98-R103 PolarHBondContact OE2-NH2 2.77Å
99	A	87.6	Confident	92.5	Very high	37 Å²	37	46.6 Å²	46.6	31%	0.306	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	33.5	175.7	0	0	0	0	0	115.8	K169	A99-K169 VanDerWaalsContact O-CE 3.24Å; A99-K169 WeakPolarHBondContact O-CE 3.43Å
100	G	88.6	Confident	92.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-3.7	-178.7	0	0	0	0	0	115.6	E98 V122 H165	E98-G100 PolarHBondContact O-N 3.39Å; G100-V122 WeakPolarHBondContact O-CG2 3.28Å; G100-V122 PolarHBondContact O-N 3.48Å; G100-H165 PolarHBondContact N-ND1 2.76Å
101	I	92.1	Very high	92.6	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.195	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.5	-178.7	-50.6	-56.7	0	0	0	110.4	L97 E98 R103 S119 D121	L97-I101 WeakPolarHBondContact CA-O 3.18Å; E98-I101 PolarHBondContact N-O 3.23Å; E98-I101 VanDerWaalsContact N-O 3.11Å; E98-I101 PolarHBondContact O-N 3.41Å; I101-R103 HydrophobicContact CG2-CG 3.84Å; I101-S119 WeakPolarHBondContact CG2-OG 3.49Å; I101-D121 HydrophobicContact CD1-CB 3.86Å; I101-D121 WeakPolarHBondContact CD1-OD2 3.28Å
102	L	94.5	Very high	92.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.4	173.4	-176.5	69.3	0	0	0	110.5	F95 L97 S119 L120 V122 L138 Y145 I147 W158 L162	F95-L102 HydrophobicContact CB-CD1 4.39Å; F95-L102 HydrophobicContact CD1-CD1 3.9Å; F95-L102 HydrophobicContact CD1-CD2 4.23Å; F95-L102 HydrophobicContact CD1-CG 4.05Å; F95-L102 HydrophobicContact CE1-CD2 4.37Å; L97-L102 HydrophobicContact CB-CD1 3.89Å; L97-L102 HydrophobicContact CD1-CB 4Å; L97-L102 HydrophobicContact CD1-CD1 4.23Å; L102-S119 CarbonylContact O-C 3.51Å; L102-L120 HydrophobicContact CB-CB 4.44Å; L102-L120 PolarHBondContact N-O 2.73Å; L102-L120 PolarHBondContact O-N 3.41Å; L102-V122 HydrophobicContact CB-CG1 3.69Å; L102-L138 HydrophobicContact CD2-CD1 3.48Å; L102-L138 VanDerWaalsContact CD2-CD1 3.48Å; L102-Y145 HydrophobicContact CD2-CD2 4.47Å; L102-I147 HydrophobicContact CD2-CD1 3.98Å; L102-W158 HydrophobicContact CD1-CZ3 3.77Å; L102-L162 HydrophobicContact CD2-CD2 4.35Å
103	R	94.4	Very high	91.9	Very high	80 Å²	80	48 Å²	48	30%	0.302	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	154.1	175.9	-47.9	-170.7	-160.2	102	1.7	110.3	F95 V96 E98 I101 V116	F95-R103 WeakPolarHBondContact CA-O 3.36Å; V96-R103 PolarHBondContact N-O 3.03Å; V96-R103 PolarHBondContact O-N 3.23Å; E98-R103 IonicContact OE2-CZ 3.26Å; E98-R103 VanDerWaalsContact OE2-CZ 3.25Å; E98-R103 IonicContact OE2-NH1 2.68Å; E98-R103 PolarHBondContact OE2-NH1 2.77Å; E98-R103 IonicContact OE2-NH2 2.82Å; E98-R103 PolarHBondContact OE2-NH2 2.77Å; I101-R103 HydrophobicContact CG2-CG 3.84Å; R103-V116 HydrophobicContact CB-CG1 3.97Å
104	Y	95.2	Very high	91.2	Very high	23 Å²	23	49.3 Å²	49.3	9%	0.09	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.2	171.7	81.2	-78.8	0	0	0	113.5	K81 R93 Y94 F95 V116 Q117 G118 Y145	K81-Y104 HydrophobicContact CD-CD1 4.21Å; K81-Y104 HydrophobicContact CD-CD2 3.78Å; K81-Y104 HydrophobicContact CD-CE1 3.96Å; K81-Y104 HydrophobicContact CD-CE2 3.46Å; K81-Y104 VanDerWaalsContact CD-CE2 3.46Å; K81-Y104 HydrophobicContact CD-CG 4.15Å; K81-Y104 VanDerWaalsContact CE-CE1 3.49Å; R93-Y104 HydrophobicContact CB-CD2 4.05Å; R93-Y104 HydrophobicContact CG-CD2 3.89Å; R93-Y104 HydrophobicContact CG-CE2 4.21Å; Y94-Y104 CarbonylContact O-C 3.6Å; Y94-Y104 WeakPolarHBondContact O-CA 3.31Å; Y94-Y104 WeakPolarHBondContact O-CB 3.02Å; F95-Y104 HydrophobicContact CD1-CG 4.5Å; F95-Y104 HydrophobicContact CE1-CG 4.15Å; F95-Y104 HydrophobicContact CZ-CG 4.39Å; Y104-V116 CarbonylContact O-C 3.56Å; Y104-Q117 HydrophobicContact CD2-CB 4.1Å; Y104-Q117 HydrophobicContact CE1-CB 4.44Å; Y104-Q117 HydrophobicContact CE2-CB 3.59Å; Y104-Q117 VanDerWaalsContact CZ-O 3.31Å; Y104-Q117 PolarHBondContact O-N 2.91Å; Y104-Q117 PolarHBondContact OH-O 3.33Å; Y104-G118 WeakPolarHBondContact CD1-O 3.24Å; Y104-G118 PolarHBondContact N-O 3.47Å; Y104-Y145 AromaticContact CD1-CE2 3.9Å; Y104-Y145 HydrophobicContact CD1-CE2 3.9Å; Y104-Y145 AromaticContact CE1-CE2 3.97Å; Y104-Y145 HydrophobicContact CE1-CE2 3.97Å; Y104-Y145 AromaticContact CE1-CZ 3.87Å
105	S	94.9	Very high	90.7	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	175.2	-178.2	68.7	0	0	0	0	111.3	R93 Y94 N107	R93-S105 WeakPolarHBondContact CD-O 3.3Å; Y94-S105 PolarHBondContact N-O 2.85Å; Y94-S105 VanDerWaalsContact N-O 3.12Å; Y94-S105 PolarHBondContact O-N 3.42Å; S105-N107 PolarHBondContact OG-O 2.9Å
106	K	90.4	Very high	90.3	Very high	120 Å²	120	60.8 Å²	60.8	52%	0.522	32%	0.315	S	S	.	.	S	Bend	trans	-65.5	-43.3	175.4	-54	173.5	-179	169.8	0	110.9	D110 Q117	K106-D110 VanDerWaalsContact CB-OD2 3.3Å; K106-D110 WeakPolarHBondContact CB-OD2 3.24Å; K106-Q117 HydrophobicContact CG-CG 4.31Å
107	N	92.5	Very high	89.9	Confident	51 Å²	51	63 Å²	63	27%	0.273	32%	0.324	S	S	.	.	S	Bend	trans	-148.9	170	-176.3	65.1	58.5	0	0	0	111.2	S105 Q109 D110 A111	S105-N107 PolarHBondContact OG-O 2.9Å; N107-Q109 VanDerWaalsContact C-N 3.3Å; N107-Q109 PolarHBondContact O-N 2.87Å; N107-Q109 WeakPolarHBondContact OD1-CA 3.42Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.11Å; N107-Q109 PolarHBondContact OD1-N 3.02Å; N107-D110 PolarHBondContact ND2-OD2 2.88Å; N107-D110 PolarHBondContact O-N 3.3Å; N107-D110 PolarHBondContact OD1-N 3.38Å; N107-A111 PolarHBondContact O-N 3.22Å
108	Q	93.2	Very high	89.5	Confident	81 Å²	81	64 Å²	64	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-30.9	-178.2	-170.4	171.4	13.5	0	0	113.9	E76 Y78 Y94 A111 S112	E76-Q108 PolarHBondContact OE1-NE2 2.95Å; Y78-Q108 PolarHBondContact OH-N 2.76Å; Y94-Q108 HydrophobicContact CD1-CB 4.12Å; Y94-Q108 HydrophobicContact CD1-CG 4.23Å; Y94-Q108 HydrophobicContact CD2-CB 3.91Å; Y94-Q108 HydrophobicContact CD2-CG 4.42Å; Y94-Q108 HydrophobicContact CE1-CB 4.08Å; Y94-Q108 HydrophobicContact CE1-CG 3.71Å; Y94-Q108 HydrophobicContact CE2-CB 3.86Å; Y94-Q108 HydrophobicContact CE2-CG 3.91Å; Y94-Q108 HydrophobicContact CG-CB 4.03Å; Y94-Q108 PolarHBondContact OH-NE2 3.28Å; Q108-A111 WeakPolarHBondContact O-CB 3.31Å; Q108-A111 PolarHBondContact O-N 2.72Å; Q108-S112 PolarHBondContact O-N 3.05Å; Q108-S112 PolarHBondContact O-OG 3.43Å
109	Q	90.2	Very high	89.4	Confident	142 Å²	142	63.1 Å²	63.1	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-72.2	-30	178.3	-59.8	172.1	-17.1	0	0	112.7	N107 S112 K113	N107-Q109 VanDerWaalsContact C-N 3.3Å; N107-Q109 PolarHBondContact O-N 2.87Å; N107-Q109 WeakPolarHBondContact OD1-CA 3.42Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.11Å; N107-Q109 PolarHBondContact OD1-N 3.02Å; Q109-S112 PolarHBondContact O-OG 2.96Å; Q109-K113 WeakPolarHBondContact O-CB 3.42Å; Q109-K113 WeakPolarHBondContact O-CD 3.45Å; Q109-K113 VanDerWaalsContact O-CG 3.26Å; Q109-K113 WeakPolarHBondContact O-CG 3.22Å; Q109-K113 PolarHBondContact O-N 2.82Å
110	D	89.2	Confident	89.5	Confident	29 Å²	29	61.8 Å²	61.8	16%	0.155	32%	0.324	C	S	.	.	H	α-helix	trans	-68.7	-38.6	168.5	-75.3	-28.5	0	0	0	110.3	K106 N107 K113 G114 R115	K106-D110 VanDerWaalsContact CB-OD2 3.3Å; K106-D110 WeakPolarHBondContact CB-OD2 3.24Å; N107-D110 PolarHBondContact ND2-OD2 2.88Å; N107-D110 PolarHBondContact O-N 3.3Å; N107-D110 PolarHBondContact OD1-N 3.38Å; D110-K113 CarbonylContact O-C 3.54Å; D110-K113 PolarHBondContact O-N 3.22Å; D110-G114 PolarHBondContact O-N 2.71Å; D110-R115 HydrophobicContact CB-CB 4.06Å; D110-R115 WeakPolarHBondContact O-CA 3.27Å; D110-R115 WeakPolarHBondContact O-CB 3.15Å; D110-R115 PolarHBondContact O-N 2.92Å
111	A	86.9	Confident	89.6	Confident	25 Å²	25	64 Å²	64	21%	0.207	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-48.5	-179.5	0	0	0	0	0	112.2	Y94 V96 N107 Q108 K113 G114	Y94-A111 HydrophobicContact CD1-CB 3.84Å; Y94-A111 HydrophobicContact CE1-CB 4.39Å; V96-A111 HydrophobicContact CG2-CB 4.24Å; N107-A111 PolarHBondContact O-N 3.22Å; Q108-A111 WeakPolarHBondContact O-CB 3.31Å; Q108-A111 PolarHBondContact O-N 2.72Å; A111-K113 PolarHBondContact O-N 3.49Å; A111-G114 PolarHBondContact O-N 2.75Å
112	S	83	Confident	89.4	Confident	102 Å²	102	62.2 Å²	62.2	71%	0.713	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.8	177	61.1	0	0	0	0	114	Q108 Q109	Q108-S112 PolarHBondContact O-N 3.05Å; Q108-S112 PolarHBondContact O-OG 3.43Å; Q109-S112 PolarHBondContact O-OG 2.96Å
113	K	86.5	Confident	88.7	Confident	149 Å²	149	63.6 Å²	63.6	65%	0.648	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	12.9	171.1	-66.1	178.1	-178.5	-176.2	0	113.3	Q109 D110 A111 R115	Q109-K113 WeakPolarHBondContact O-CB 3.42Å; Q109-K113 WeakPolarHBondContact O-CD 3.45Å; Q109-K113 VanDerWaalsContact O-CG 3.26Å; Q109-K113 WeakPolarHBondContact O-CG 3.22Å; Q109-K113 PolarHBondContact O-N 2.82Å; D110-K113 CarbonylContact O-C 3.54Å; D110-K113 PolarHBondContact O-N 3.22Å; A111-K113 PolarHBondContact O-N 3.49Å; K113-R115 HydrophobicContact CB-CG 4.43Å; K113-R115 PolarHBondContact O-N 3.48Å; K113-R115 VanDerWaalsContact O-N 3.16Å
114	G	82.3	Confident	87.9	Confident	56 Å²	56	67 Å²	67	58%	0.577	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	4.5	179.6	0	0	0	0	0	115.8	D110 A111 V116	D110-G114 PolarHBondContact O-N 2.71Å; A111-G114 PolarHBondContact O-N 2.75Å; G114-V116 VanDerWaalsContact C-N 3.33Å; G114-V116 PolarHBondContact O-N 3.33Å
115	R	84.8	Confident	87.3	Confident	173 Å²	173	66 Å²	66	65%	0.653	35%	0.352	S	S	*	.			trans	-81.1	73.2	-174	-65.5	-178.4	173.8	-167.6	-5.6	111.9	D110 K113	D110-R115 HydrophobicContact CB-CB 4.06Å; D110-R115 WeakPolarHBondContact O-CA 3.27Å; D110-R115 WeakPolarHBondContact O-CB 3.15Å; D110-R115 PolarHBondContact O-N 2.92Å; K113-R115 HydrophobicContact CB-CG 4.43Å; K113-R115 PolarHBondContact O-N 3.48Å; K113-R115 VanDerWaalsContact O-N 3.16Å
116	V	88.8	Confident	86.8	Confident	77 Å²	77	70 Å²	70	47%	0.467	38%	0.376	S	S	.	.			trans	-77.7	144.7	179.5	-63.5	0	0	0	0	113	R103 Y104 G114	R103-V116 HydrophobicContact CB-CG1 3.97Å; Y104-V116 CarbonylContact O-C 3.56Å; G114-V116 VanDerWaalsContact C-N 3.33Å; G114-V116 PolarHBondContact O-N 3.33Å
117	Q	85.5	Confident	86.7	Confident	64 Å²	64	64.3 Å²	64.3	30%	0.299	35%	0.352	S	S	.	.	S	Bend	trans	-96	2.5	169.8	-61	-140.6	-62.6	0	0	112.8	Y104 K106	Y104-Q117 HydrophobicContact CD2-CB 4.1Å; Y104-Q117 HydrophobicContact CE1-CB 4.44Å; Y104-Q117 HydrophobicContact CE2-CB 3.59Å; Y104-Q117 VanDerWaalsContact CZ-O 3.31Å; Y104-Q117 PolarHBondContact O-N 2.91Å; Y104-Q117 PolarHBondContact OH-O 3.33Å; K106-Q117 HydrophobicContact CG-CG 4.31Å
118	G	86.3	Confident	86.5	Confident	20 Å²	20	63.3 Å²	63.3	21%	0.206	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	159.6	156.4	176.5	0	0	0	0	0	111.8	Y104	Y104-G118 WeakPolarHBondContact CD1-O 3.24Å; Y104-G118 PolarHBondContact N-O 3.47Å
119	S	90.7	Very high	86.4	Confident	57 Å²	57	59.6 Å²	59.6	40%	0.399	33%	0.331	S	S	.	.			trans	-128.8	159.2	178.3	-164.1	0	0	0	0	108.9	I101 L102 Y145	I101-S119 WeakPolarHBondContact CG2-OG 3.49Å; L102-S119 CarbonylContact O-C 3.51Å; S119-Y145 PolarHBondContact N-OH 2.72Å; S119-Y145 PolarHBondContact O-OH 2.96Å
120	L	90.2	Very high	86.4	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.042	30%	0.301	C	S	.	.			trans	-156.6	121.8	179	179.8	66.7	0	0	0	108.5	L102 L138 A140 F143 Y145	L102-L120 HydrophobicContact CB-CB 4.44Å; L102-L120 PolarHBondContact N-O 2.73Å; L102-L120 PolarHBondContact O-N 3.41Å; L120-L138 HydrophobicContact CD2-CB 3.95Å; L120-L138 HydrophobicContact CD2-CD1 4.13Å; L120-A140 HydrophobicContact CD1-CB 3.6Å; L120-F143 HydrophobicContact CD1-CB 4.29Å; L120-Y145 HydrophobicContact CB-CD2 4.4Å; L120-Y145 HydrophobicContact CB-CE2 3.88Å; L120-Y145 HydrophobicContact CD2-CD2 3.84Å; L120-Y145 HydrophobicContact CD2-CE2 4.16Å; L120-Y145 HydrophobicContact CD2-CG 4.11Å
121	D	89.4	Confident	86.4	Confident	47 Å²	47	55.2 Å²	55.2	25%	0.251	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-73.4	125.8	163.9	-167.9	-55.3	0	0	0	108.3	I101 S123	I101-D121 HydrophobicContact CD1-CB 3.86Å; I101-D121 WeakPolarHBondContact CD1-OD2 3.28Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.34Å; D121-S123 PolarHBondContact OD1-N 3.02Å; D121-S123 PolarHBondContact OD1-OG 2.87Å
122	V	88.3	Confident	86.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-82.5	-19.5	-175.3	-59.7	0	0	0	0	113.1	L97 G100 L102 H124 A125 L162 H165 R166	L97-V122 HydrophobicContact CD1-CG1 4.13Å; L97-V122 HydrophobicContact CD1-CG2 4.29Å; G100-V122 WeakPolarHBondContact O-CG2 3.28Å; G100-V122 PolarHBondContact O-N 3.48Å; L102-V122 HydrophobicContact CB-CG1 3.69Å; V122-H124 PolarHBondContact O-N 3.01Å; V122-A125 WeakPolarHBondContact O-CB 3.39Å; V122-A125 PolarHBondContact O-N 2.92Å; V122-A125 VanDerWaalsContact O-N 3.13Å; V122-L162 HydrophobicContact CB-CD2 4.45Å; V122-L162 HydrophobicContact CG1-CD2 3.78Å; V122-H165 HydrophobicContact CG2-CB 4.21Å; V122-R166 HydrophobicContact CB-CG 3.8Å; V122-R166 HydrophobicContact CG2-CG 3.49Å; V122-R166 VanDerWaalsContact CG2-CG 3.49Å; V122-R166 WeakPolarHBondContact O-CD 3.41Å; V122-R166 VanDerWaalsContact O-CG 3.27Å; V122-R166 WeakPolarHBondContact O-CG 3.33Å; V122-R166 PolarHBondContact O-NE 2.83Å
123	S	81	Confident	86.5	Confident	31 Å²	31	57.8 Å²	57.8	22%	0.217	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-41	-177.3	66.6	0	0	0	0	112.1	D121 A125	D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.34Å; D121-S123 PolarHBondContact OD1-N 3.02Å; D121-S123 PolarHBondContact OD1-OG 2.87Å; S123-A125 VanDerWaalsContact C-N 3.31Å
124	H	77.1	Confident	86.9	Confident	151 Å²	151	51.4 Å²	51.4	70%	0.699	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.1	175.8	-60.6	-69.8	0	0	0	113.9	V122	V122-H124 PolarHBondContact O-N 3.01Å
125	A	83.1	Confident	87.4	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.017	27%	0.266	C	S	.	.	S	Bend	trans	-89.3	130.2	-178.6	0	0	0	0	0	111.9	V122 S123 M127 L138 D139 A140 R166	V122-A125 WeakPolarHBondContact O-CB 3.39Å; V122-A125 PolarHBondContact O-N 2.92Å; V122-A125 VanDerWaalsContact O-N 3.13Å; S123-A125 VanDerWaalsContact C-N 3.31Å; A125-M127 PolarHBondContact O-N 2.92Å; A125-L138 HydrophobicContact CB-CD2 4.49Å; A125-D139 CarbonylContact C-O 3.56Å; A125-D139 WeakPolarHBondContact CA-O 3.5Å; A125-A140 HydrophobicContact CB-CB 4.19Å; A125-R166 PolarHBondContact O-NE 3.46Å
126	V	84.1	Confident	87.9	Confident	85 Å²	85	44.5 Å²	44.5	52%	0.515	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.9	164.6	-180	0	0	0	0	107.8	V51 D139	V51-V126 HydrophobicContact CG1-CG1 4.12Å; V126-D139 PolarHBondContact N-O 3.34Å; V126-D139 PolarHBondContact O-N 2.86Å
127	M	88.4	Confident	88.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.5	175.7	-170.9	168.9	76.3	0	0	110.7	I52 A125 I129 I136 L138 V159 L162 Q163	I52-M127 HydrophobicContact CB-CE 3.73Å; I52-M127 HydrophobicContact CG1-CE 4.05Å; I52-M127 HydrophobicContact CG2-CE 3.63Å; I52-M127 PolarHBondContact N-O 2.96Å; A125-M127 PolarHBondContact O-N 2.92Å; M127-I129 HydrophobicContact CE-CG2 4.33Å; M127-I129 HydrophobicContact CG-CG2 4.18Å; M127-I129 HydrophobicContact SD-CG2 4.47Å; M127-I136 HydrophobicContact CG-CG2 3.94Å; M127-I136 HydrophobicContact SD-CG2 3.9Å; M127-L138 HydrophobicContact CB-CD2 3.73Å; M127-L138 HydrophobicContact CG-CD2 3.62Å; M127-L138 HydrophobicContact SD-CD2 3.96Å; M127-V159 HydrophobicContact CE-CG1 4.07Å; M127-L162 HydrophobicContact SD-CB 3.82Å; M127-L162 HydrophobicContact SD-CD1 3.92Å; M127-L162 HydrophobicContact SD-CG 4.49Å; M127-Q163 HydrophobicContact CE-CG 3.78Å
128	S	88.8	Confident	88.4	Confident	29 Å²	29	38.8 Å²	38.8	20%	0.203	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.2	168	65.5	0	0	0	0	110.8	E50 D137	E50-S128 CarbonylContact O-C 3.58Å; E50-S128 VanDerWaalsContact O-CA 3.32Å; E50-S128 WeakPolarHBondContact O-CA 3.26Å; S128-D137 PolarHBondContact N-O 2.82Å; S128-D137 PolarHBondContact O-N 3.05Å; S128-D137 PolarHBondContact OG-O 3.16Å
129	I	90.1	Very high	88.4	Confident	3 Å²	3	41 Å²	41	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.8	-173.6	71.4	175.5	0	0	0	111.6	W49 E50 I52 M127 K131 R135 I136 F155 V159	W49-I129 WeakPolarHBondContact CA-O 3.42Å; E50-I129 HydrophobicContact CB-CG1 4.22Å; E50-I129 PolarHBondContact N-O 2.75Å; E50-I129 PolarHBondContact O-N 3.24Å; I52-I129 HydrophobicContact CD1-CD1 3.61Å; I52-I129 HydrophobicContact CD1-CG1 3.94Å; I52-I129 HydrophobicContact CG1-CD1 3.74Å; I52-I129 HydrophobicContact CG1-CG1 3.81Å; I52-I129 HydrophobicContact CG1-CG2 4Å; M127-I129 HydrophobicContact CE-CG2 4.33Å; M127-I129 HydrophobicContact CG-CG2 4.18Å; M127-I129 HydrophobicContact SD-CG2 4.47Å; I129-K131 HydrophobicContact CD1-CG 4.09Å; I129-K131 HydrophobicContact CG1-CG 4.41Å; I129-R135 CarbonylContact C-O 3.57Å; I129-R135 WeakPolarHBondContact CA-O 3.45Å; I129-I136 HydrophobicContact CG2-CG1 4.32Å; I129-I136 HydrophobicContact CG2-CG2 4.26Å; I129-F155 HydrophobicContact CB-CE2 4.09Å; I129-F155 HydrophobicContact CB-CZ 3.94Å; I129-F155 HydrophobicContact CD1-CZ 3.97Å; I129-F155 HydrophobicContact CG1-CZ 4.3Å; I129-V159 HydrophobicContact CD1-CG1 4.27Å; I129-V159 HydrophobicContact CD1-CG2 4.45Å; I129-V159 HydrophobicContact CG2-CG2 3.92Å
130	N	90.8	Very high	87.8	Confident	8 Å²	8	40 Å²	40	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	91.2	172.7	-173.7	-74.5	0	0	0	108.8	D48 W49 K132 S133 N134 R135	D48-N130 WeakPolarHBondContact CB-ND2 3.24Å; D48-N130 WeakPolarHBondContact O-CA 3.33Å; D48-N130 VanDerWaalsContact O-CG 3.26Å; D48-N130 PolarHBondContact O-ND2 2.89Å; W49-N130 HydrophobicContact CD2-CB 3.71Å; W49-N130 HydrophobicContact CE3-CB 3.74Å; W49-N130 HydrophobicContact CG-CB 4.34Å; W49-N130 HydrophobicContact CH2-CB 3.99Å; W49-N130 HydrophobicContact CZ2-CB 3.93Å; W49-N130 HydrophobicContact CZ3-CB 3.88Å; W49-N130 PolarHBondContact NE1-ND2 3.02Å; N130-K132 VanDerWaalsContact C-N 3.34Å; N130-K132 PolarHBondContact O-N 3.22Å; N130-S133 PolarHBondContact O-N 3.45Å; N130-S133 VanDerWaalsContact O-N 3.13Å; N130-S133 WeakPolarHBondContact OD1-CB 3.46Å; N130-S133 PolarHBondContact OD1-N 2.87Å; N130-S133 VanDerWaalsContact OD1-N 3.08Å; N130-S133 PolarHBondContact OD1-OG 2.89Å; N130-N134 PolarHBondContact O-N 3.1Å; N130-R135 HydrophobicContact CB-CB 4.19Å; N130-R135 PolarHBondContact N-O 3.33Å; N130-R135 PolarHBondContact O-N 2.96Å
131	K	88.5	Confident	86.7	Confident	71 Å²	71	42.7 Å²	42.7	31%	0.309	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-52.8	-50	-173.7	-64.8	173.8	179.1	162.6	0	111.3	E50 I129 S133 N134 H152 F155	E50-K131 WeakPolarHBondContact OE1-CE 3.41Å; E50-K131 IonicContact OE1-NZ 2.72Å; E50-K131 PolarHBondContact OE1-NZ 3.33Å; E50-K131 VanDerWaalsContact OE2-CE 3.25Å; E50-K131 WeakPolarHBondContact OE2-CE 3.38Å; E50-K131 IonicContact OE2-NZ 2.67Å; E50-K131 PolarHBondContact OE2-NZ 3.16Å; I129-K131 HydrophobicContact CD1-CG 4.09Å; I129-K131 HydrophobicContact CG1-CG 4.41Å; K131-S133 PolarHBondContact O-N 3.32Å; K131-S133 VanDerWaalsContact O-N 3.09Å; K131-N134 PolarHBondContact O-N 2.87Å; K131-N134 PolarHBondContact O-OD1 2.87Å; K131-H152 PolarHBondContact O-NE2 3.16Å; K131-F155 HydrophobicContact CB-CE1 4.2Å; K131-F155 HydrophobicContact CB-CZ 4.38Å; K131-F155 HydrophobicContact CG-CE1 3.95Å; K131-F155 HydrophobicContact CG-CZ 4Å
132	K	83.8	Confident	85.5	Confident	151 Å²	151	46.1 Å²	46.1	66%	0.657	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-60.6	-21.6	-178.4	-64.5	-176.9	-171.9	167.3	0	115.6	D48 N130	D48-K132 HydrophobicContact CB-CD 4.39Å; D48-K132 WeakPolarHBondContact OD1-CE 3.37Å; D48-K132 IonicContact OD1-NZ 2.68Å; D48-K132 PolarHBondContact OD1-NZ 3.35Å; D48-K132 IonicContact OD2-NZ 3.21Å; N130-K132 VanDerWaalsContact C-N 3.34Å; N130-K132 PolarHBondContact O-N 3.22Å
133	S	88.2	Confident	84.9	Confident	31 Å²	31	51.8 Å²	51.8	22%	0.217	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-123.4	13.4	-179.7	74.3	0	0	0	0	114.4	N130 K131 R135 K148	N130-S133 PolarHBondContact O-N 3.45Å; N130-S133 VanDerWaalsContact O-N 3.13Å; N130-S133 WeakPolarHBondContact OD1-CB 3.46Å; N130-S133 PolarHBondContact OD1-N 2.87Å; N130-S133 VanDerWaalsContact OD1-N 3.08Å; N130-S133 PolarHBondContact OD1-OG 2.89Å; K131-S133 PolarHBondContact O-N 3.32Å; K131-S133 VanDerWaalsContact O-N 3.09Å; S133-R135 VanDerWaalsContact C-N 3.3Å; S133-R135 PolarHBondContact O-N 2.92Å; S133-R135 WeakPolarHBondContact OG-CG 3.24Å; S133-R135 PolarHBondContact OG-NE 3Å; S133-K148 WeakPolarHBondContact O-CE 3.33Å
134	N	94.3	Very high	85	Confident	14 Å²	14	54 Å²	54	8%	0.075	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	39.9	177.1	-68.1	-34.3	0	0	0	113.9	N130 K131 K148 A149 S151 H152 F155	N130-N134 PolarHBondContact O-N 3.1Å; K131-N134 PolarHBondContact O-N 2.87Å; K131-N134 PolarHBondContact O-OD1 2.87Å; N134-K148 CarbonylContact O-C 3.49Å; N134-K148 VanDerWaalsContact O-CA 3.31Å; N134-K148 WeakPolarHBondContact O-CA 3.2Å; N134-K148 WeakPolarHBondContact O-CG 3.4Å; N134-A149 HydrophobicContact CB-CB 4.42Å; N134-A149 PolarHBondContact O-N 3.29Å; N134-S151 PolarHBondContact ND2-O 3.29Å; N134-H152 PolarHBondContact ND2-N 2.87Å; N134-H152 WeakPolarHBondContact OD1-CA 3.47Å; N134-H152 PolarHBondContact OD1-CD2 2.87Å; N134-F155 HydrophobicContact CB-CB 3.91Å; N134-F155 HydrophobicContact CB-CD2 4.31Å; N134-F155 HydrophobicContact CB-CG 4.18Å; N134-F155 WeakPolarHBondContact OD1-CB 3.48Å; N134-F155 WeakPolarHBondContact OD1-CG 3.46Å
135	R	94.3	Very high	85.6	Confident	80 Å²	80	47.4 Å²	47.4	30%	0.302	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.2	179.7	-54.5	-179.6	-160.3	-170.6	3.5	112.3	W49 I129 N130 S133 I147 K148 F155	W49-R135 HydrophobicContact CH2-CB 3.83Å; W49-R135 HydrophobicContact CZ3-CB 4.31Å; I129-R135 CarbonylContact C-O 3.57Å; I129-R135 WeakPolarHBondContact CA-O 3.45Å; N130-R135 HydrophobicContact CB-CB 4.19Å; N130-R135 PolarHBondContact N-O 3.33Å; N130-R135 PolarHBondContact O-N 2.96Å; S133-R135 VanDerWaalsContact C-N 3.3Å; S133-R135 PolarHBondContact O-N 2.92Å; S133-R135 WeakPolarHBondContact OG-CG 3.24Å; S133-R135 PolarHBondContact OG-NE 3Å; R135-I147 CarbonylContact C-O 3.6Å; R135-I147 VanDerWaalsContact CA-O 3.28Å; R135-I147 WeakPolarHBondContact CA-O 3.38Å; R135-K148 HydrophobicContact CG-CB 4.21Å; R135-K148 HydrophobicContact CG-CD 4.46Å; R135-K148 HydrophobicContact CG-CG 4.04Å; R135-F155 WeakPolarHBondContact O-CE2 3.3Å
136	I	94.9	Very high	86.1	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.5	174.7	-52.5	171.6	0	0	0	105.5	M127 I129 L138 I147 F155 W158 V159 L162	M127-I136 HydrophobicContact CG-CG2 3.94Å; M127-I136 HydrophobicContact SD-CG2 3.9Å; I129-I136 HydrophobicContact CG2-CG1 4.32Å; I129-I136 HydrophobicContact CG2-CG2 4.26Å; I136-L138 HydrophobicContact CG2-CD2 4.49Å; I136-L138 HydrophobicContact CG2-CG 4.22Å; I136-I147 PolarHBondContact N-O 2.93Å; I136-I147 WeakPolarHBondContact O-CA 3.36Å; I136-I147 WeakPolarHBondContact O-CB 3.29Å; I136-I147 PolarHBondContact O-N 2.91Å; I136-F155 HydrophobicContact CD1-CD2 4.22Å; I136-F155 HydrophobicContact CD1-CE2 4.49Å; I136-F155 HydrophobicContact CG1-CD2 3.86Å; I136-F155 HydrophobicContact CG1-CE2 3.77Å; I136-W158 HydrophobicContact CD1-CB 4.05Å; I136-V159 HydrophobicContact CD1-CG2 3.63Å; I136-V159 HydrophobicContact CG1-CG2 3.88Å; I136-L162 HydrophobicContact CD1-CD1 4.14Å; I136-L162 HydrophobicContact CG2-CD1 3.98Å
137	D	93.6	Very high	86.6	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.6	173.9	-77.6	9.1	0	0	0	107.4	W49 S128 H146	W49-D137 HydrophobicContact CH2-CB 4.47Å; W49-D137 HydrophobicContact CZ3-CB 4Å; S128-D137 PolarHBondContact N-O 2.82Å; S128-D137 PolarHBondContact O-N 3.05Å; S128-D137 PolarHBondContact OG-O 3.16Å; D137-H146 VanDerWaalsContact OD1-CA 3.28Å; D137-H146 WeakPolarHBondContact OD1-CA 3.49Å; D137-H146 WeakPolarHBondContact OD1-CB 3.3Å; D137-H146 IonicContact OD1-CG 2.71Å; D137-H146 IonicContact OD1-ND1 3.94Å; D137-H146 PolarHBondContact OD1-ND1 2.84Å; D137-H146 IonicContact OD2-CE1 2.75Å; D137-H146 PolarHBondContact OD2-CE1 2.77Å; D137-H146 IonicContact OD2-CG 3.08Å; D137-H146 IonicContact OD2-ND1 2.99Å; D137-H146 PolarHBondContact OD2-ND1 3.07Å
138	L	90.8	Very high	87	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.3	176.6	-67.5	166.5	0	0	0	109.2	L102 L120 A125 M127 I136 L144 Y145 I147 L162	L102-L138 HydrophobicContact CD2-CD1 3.48Å; L102-L138 VanDerWaalsContact CD2-CD1 3.48Å; L120-L138 HydrophobicContact CD2-CB 3.95Å; L120-L138 HydrophobicContact CD2-CD1 4.13Å; A125-L138 HydrophobicContact CB-CD2 4.49Å; M127-L138 HydrophobicContact CB-CD2 3.73Å; M127-L138 HydrophobicContact CG-CD2 3.62Å; M127-L138 HydrophobicContact SD-CD2 3.96Å; I136-L138 HydrophobicContact CG2-CD2 4.49Å; I136-L138 HydrophobicContact CG2-CG 4.22Å; L138-L144 WeakPolarHBondContact O-CA 3.36Å; L138-Y145 PolarHBondContact N-O 2.99Å; L138-Y145 PolarHBondContact O-N 2.71Å; L138-I147 HydrophobicContact CD1-CD1 4.08Å; L138-L162 HydrophobicContact CD1-CD1 4.23Å; L138-L162 HydrophobicContact CD1-CD2 4.08Å
139	D	85.9	Confident	87.3	Confident	66 Å²	66	47.1 Å²	47.1	35%	0.353	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.6	-176.7	-166.2	-15.8	0	0	0	111.3	A125 V126 G141 L144	A125-D139 CarbonylContact C-O 3.56Å; A125-D139 WeakPolarHBondContact CA-O 3.5Å; V126-D139 PolarHBondContact N-O 3.34Å; V126-D139 PolarHBondContact O-N 2.86Å; D139-G141 PolarHBondContact OD1-N 3.29Å; D139-L144 HydrophobicContact CB-CD1 3.81Å
140	A	78.8	Confident	87.3	Confident	35 Å²	35	54.4 Å²	54.4	29%	0.289	28%	0.279	S	S	.	.			trans	-106.2	26.9	172.8	0	0	0	0	0	112.6	L120 A125 D142 F143	L120-A140 HydrophobicContact CD1-CB 3.6Å; A125-A140 HydrophobicContact CB-CB 4.19Å; A140-D142 VanDerWaalsContact C-N 3.31Å; A140-D142 PolarHBondContact O-N 3.01Å; A140-F143 PolarHBondContact N-O 3.44Å; A140-F143 VanDerWaalsContact N-O 3.12Å
141	G	66.3	Low	87.4	Confident	65 Å²	65	55.7 Å²	55.7	67%	0.67	29%	0.288	S	S	*	.	S	Bend	trans	79.9	-69.8	-178.9	0	0	0	0	0	112.7	D139 F143	D139-G141 PolarHBondContact OD1-N 3.29Å; G141-F143 VanDerWaalsContact C-N 3.35Å
142	D	65.5	Low	87.3	Confident	120 Å²	120	56.5 Å²	56.5	64%	0.642	29%	0.293	S	S	*	.	S	Bend	trans	-74.2	-28.4	178.9	-69.1	-37	0	0	0	112.2	A140	A140-D142 VanDerWaalsContact C-N 3.31Å; A140-D142 PolarHBondContact O-N 3.01Å
143	F	74.5	Confident	87.5	Confident	118 Å²	118	54.6 Å²	54.6	52%	0.518	29%	0.29	S	S	.	.			trans	-127.6	109.3	-175.1	-58	-68.3	0	0	0	112.3	L120 A140 G141 Y145	L120-F143 HydrophobicContact CD1-CB 4.29Å; A140-F143 PolarHBondContact N-O 3.44Å; A140-F143 VanDerWaalsContact N-O 3.12Å; G141-F143 VanDerWaalsContact C-N 3.35Å; F143-Y145 HydrophobicContact CB-CD1 4.32Å; F143-Y145 HydrophobicContact CB-CE1 3.99Å
144	L	83.1	Confident	87.5	Confident	78 Å²	78	56.3 Å²	56.3	41%	0.408	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.5	170.8	179.2	59.5	0	0	0	110.8	L138 D139	L138-L144 WeakPolarHBondContact O-CA 3.36Å; D139-L144 HydrophobicContact CB-CD1 3.81Å
145	Y	90.6	Very high	87.4	Confident	13 Å²	13	55.7 Å²	55.7	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	95.4	178.6	-79.1	24.6	0	0	0	110	K81 L102 Y104 S119 L120 L138 F143 I147	K81-Y145 VanDerWaalsContact CE-CD2 3.44Å; K81-Y145 VanDerWaalsContact NZ-CE1 3.33Å; L102-Y145 HydrophobicContact CD2-CD2 4.47Å; Y104-Y145 AromaticContact CD1-CE2 3.9Å; Y104-Y145 HydrophobicContact CD1-CE2 3.9Å; Y104-Y145 AromaticContact CE1-CE2 3.97Å; Y104-Y145 HydrophobicContact CE1-CE2 3.97Å; Y104-Y145 AromaticContact CE1-CZ 3.87Å; S119-Y145 PolarHBondContact N-OH 2.72Å; S119-Y145 PolarHBondContact O-OH 2.96Å; L120-Y145 HydrophobicContact CB-CD2 4.4Å; L120-Y145 HydrophobicContact CB-CE2 3.88Å; L120-Y145 HydrophobicContact CD2-CD2 3.84Å; L120-Y145 HydrophobicContact CD2-CE2 4.16Å; L120-Y145 HydrophobicContact CD2-CG 4.11Å; L138-Y145 PolarHBondContact N-O 2.99Å; L138-Y145 PolarHBondContact O-N 2.71Å; F143-Y145 HydrophobicContact CB-CD1 4.32Å; F143-Y145 HydrophobicContact CB-CE1 3.99Å; Y145-I147 PolarHBondContact O-N 2.94Å
146	H	93.3	Very high	87.2	Confident	36 Å²	36	57 Å²	57	17%	0.167	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.2	165.3	-48.8	-79.1	0	0	0	110.4	R82 W90 D137	R82-H146 HydrophobicContact CB-CB 3.66Å; R82-H146 PolarHBondContact N-O 2.79Å; W90-H146 HydrophobicContact CH2-CB 4.04Å; W90-H146 HydrophobicContact CZ3-CB 4.34Å; D137-H146 VanDerWaalsContact OD1-CA 3.28Å; D137-H146 WeakPolarHBondContact OD1-CA 3.49Å; D137-H146 WeakPolarHBondContact OD1-CB 3.3Å; D137-H146 IonicContact OD1-CG 2.71Å; D137-H146 IonicContact OD1-ND1 3.94Å; D137-H146 PolarHBondContact OD1-ND1 2.84Å; D137-H146 IonicContact OD2-CE1 2.75Å; D137-H146 PolarHBondContact OD2-CE1 2.77Å; D137-H146 IonicContact OD2-CG 3.08Å; D137-H146 IonicContact OD2-ND1 2.99Å; D137-H146 PolarHBondContact OD2-ND1 3.07Å
147	I	95.3	Very high	86.8	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.7	-176.9	-52.7	175	0	0	0	109.2	L79 L80 F95 L102 R135 I136 L138 Y145	L79-I147 HydrophobicContact CB-CG2 3.73Å; L79-I147 HydrophobicContact CD1-CG2 3.5Å; L79-I147 HydrophobicContact CG-CG2 4.22Å; L80-I147 CarbonylContact O-C 3.53Å; L80-I147 WeakPolarHBondContact O-CA 3.23Å; F95-I147 HydrophobicContact CD1-CD1 4.42Å; F95-I147 HydrophobicContact CE1-CD1 3.66Å; F95-I147 HydrophobicContact CE1-CG1 4.22Å; F95-I147 HydrophobicContact CE2-CG2 4.44Å; F95-I147 HydrophobicContact CZ-CD1 3.94Å; F95-I147 HydrophobicContact CZ-CG1 4Å; F95-I147 HydrophobicContact CZ-CG2 4.28Å; L102-I147 HydrophobicContact CD2-CD1 3.98Å; R135-I147 CarbonylContact C-O 3.6Å; R135-I147 VanDerWaalsContact CA-O 3.28Å; R135-I147 WeakPolarHBondContact CA-O 3.38Å; I136-I147 PolarHBondContact N-O 2.93Å; I136-I147 WeakPolarHBondContact O-CA 3.36Å; I136-I147 WeakPolarHBondContact O-CB 3.29Å; I136-I147 PolarHBondContact O-N 2.91Å; L138-I147 HydrophobicContact CD1-CD1 4.08Å; Y145-I147 PolarHBondContact O-N 2.94Å
148	K	95.3	Very high	86.8	Confident	69 Å²	69	60.4 Å²	60.4	30%	0.3	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.3	174	-174.3	-170.3	169.9	-176	0	111.5	L80 W90 S133 N134 R135	L80-K148 HydrophobicContact CB-CB 4.24Å; L80-K148 WeakPolarHBondContact CB-O 3.37Å; L80-K148 HydrophobicContact CD1-CD 4.47Å; L80-K148 PolarHBondContact N-O 2.69Å; L80-K148 PolarHBondContact O-N 2.79Å; W90-K148 HydrophobicContact CD2-CB 4.46Å; W90-K148 HydrophobicContact CE3-CB 3.9Å; W90-K148 HydrophobicContact CH2-CB 3.92Å; W90-K148 HydrophobicContact CZ2-CB 4.47Å; W90-K148 HydrophobicContact CZ3-CB 3.61Å; S133-K148 WeakPolarHBondContact O-CE 3.33Å; N134-K148 CarbonylContact O-C 3.49Å; N134-K148 VanDerWaalsContact O-CA 3.31Å; N134-K148 WeakPolarHBondContact O-CA 3.2Å; N134-K148 WeakPolarHBondContact O-CG 3.4Å; R135-K148 HydrophobicContact CG-CB 4.21Å; R135-K148 HydrophobicContact CG-CD 4.46Å; R135-K148 HydrophobicContact CG-CG 4.04Å
149	A	95.1	Very high	86.9	Confident	2 Å²	2	60.8 Å²	60.8	2%	0.017	32%	0.318	C	S	.	.			trans	-85.3	161.9	171.3	0	0	0	0	0	112.2	L79 N134 L154 F155	L79-A149 HydrophobicContact CD2-CB 3.87Å; N134-A149 HydrophobicContact CB-CB 4.42Å; N134-A149 PolarHBondContact O-N 3.29Å; A149-L154 HydrophobicContact CB-CB 4.08Å; A149-F155 HydrophobicContact CB-CB 3.89Å
150	K	90.6	Very high	87	Confident	156 Å²	156	61.8 Å²	61.8	68%	0.678	33%	0.326	S	S	*	.	S	Bend	trans	-85.4	-37.3	-179.4	-76.5	-166.4	170.3	-164.1	0	113.9
151	S	91.8	Very high	87.6	Confident	35 Å²	35	63.3 Å²	63.3	25%	0.245	33%	0.326	C	S	.	.	S	Bend	trans	-118.4	168.6	174.5	74.4	0	0	0	0	111.1	N134 D153 L154 F155	N134-S151 PolarHBondContact ND2-O 3.29Å; S151-D153 VanDerWaalsContact C-N 3.34Å; S151-D153 WeakPolarHBondContact CB-OD2 3.24Å; S151-D153 PolarHBondContact OG-OD2 2.8Å; S151-L154 PolarHBondContact OG-N 3.2Å; S151-F155 PolarHBondContact O-N 2.93Å; S151-F155 VanDerWaalsContact O-N 3.16Å
152	H	88.3	Confident	88.9	Confident	88 Å²	88	60.3 Å²	60.3	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-35.3	173.6	-81	98.3	0	0	0	111.6	K131 N134 F155 Y156	K131-H152 PolarHBondContact O-NE2 3.16Å; N134-H152 PolarHBondContact ND2-N 2.87Å; N134-H152 WeakPolarHBondContact OD1-CA 3.47Å; N134-H152 PolarHBondContact OD1-CD2 2.87Å; H152-F155 WeakPolarHBondContact O-CA 3.5Å; H152-F155 WeakPolarHBondContact O-CB 3.47Å; H152-F155 PolarHBondContact O-N 3.12Å; H152-F155 VanDerWaalsContact O-N 3.13Å; H152-Y156 HydrophobicContact CB-CD2 4.46Å; H152-Y156 HydrophobicContact CB-CE2 4.38Å; H152-Y156 WeakPolarHBondContact O-CD2 3.42Å; H152-Y156 PolarHBondContact O-N 3.23Å
153	D	86.1	Confident	90	Very high	110 Å²	110	56.8 Å²	56.8	59%	0.588	28%	0.275	S	S	*	.	H	α-helix	trans	-64.9	-47.4	-179.2	-15.1	-76.1	0	0	0	110.2	S151 F155 Y156 I157	S151-D153 VanDerWaalsContact C-N 3.34Å; S151-D153 WeakPolarHBondContact CB-OD2 3.24Å; S151-D153 PolarHBondContact OG-OD2 2.8Å; D153-F155 VanDerWaalsContact C-N 3.29Å; D153-F155 PolarHBondContact O-N 3.27Å; D153-Y156 PolarHBondContact O-N 3.4Å; D153-I157 WeakPolarHBondContact O-CB 3.48Å; D153-I157 WeakPolarHBondContact O-CD1 3.41Å; D153-I157 WeakPolarHBondContact O-CG1 3.28Å; D153-I157 PolarHBondContact O-N 2.89Å
154	L	88.3	Confident	90.6	Very high	68 Å²	68	53 Å²	53	36%	0.356	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-37.4	171.6	-74.4	172.8	0	0	0	112.1	A149 S151 W158	A149-L154 HydrophobicContact CB-CB 4.08Å; S151-L154 PolarHBondContact OG-N 3.2Å; L154-W158 WeakPolarHBondContact O-CB 3.46Å; L154-W158 VanDerWaalsContact O-CD1 3.22Å; L154-W158 PolarHBondContact O-N 3.21Å; L154-W158 VanDerWaalsContact O-N 3.12Å
155	F	93.4	Very high	90.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-50.4	175.4	164.2	-102	0	0	0	111.5	I129 K131 N134 R135 I136 A149 S151 H152 D153 W158 V159	I129-F155 HydrophobicContact CB-CE2 4.09Å; I129-F155 HydrophobicContact CB-CZ 3.94Å; I129-F155 HydrophobicContact CD1-CZ 3.97Å; I129-F155 HydrophobicContact CG1-CZ 4.3Å; K131-F155 HydrophobicContact CB-CE1 4.2Å; K131-F155 HydrophobicContact CB-CZ 4.38Å; K131-F155 HydrophobicContact CG-CE1 3.95Å; K131-F155 HydrophobicContact CG-CZ 4Å; N134-F155 HydrophobicContact CB-CB 3.91Å; N134-F155 HydrophobicContact CB-CD2 4.31Å; N134-F155 HydrophobicContact CB-CG 4.18Å; N134-F155 WeakPolarHBondContact OD1-CB 3.48Å; N134-F155 WeakPolarHBondContact OD1-CG 3.46Å; R135-F155 WeakPolarHBondContact O-CE2 3.3Å; I136-F155 HydrophobicContact CD1-CD2 4.22Å; I136-F155 HydrophobicContact CD1-CE2 4.49Å; I136-F155 HydrophobicContact CG1-CD2 3.86Å; I136-F155 HydrophobicContact CG1-CE2 3.77Å; A149-F155 HydrophobicContact CB-CB 3.89Å; S151-F155 PolarHBondContact O-N 2.93Å; S151-F155 VanDerWaalsContact O-N 3.16Å; H152-F155 WeakPolarHBondContact O-CA 3.5Å; H152-F155 WeakPolarHBondContact O-CB 3.47Å; H152-F155 PolarHBondContact O-N 3.12Å; H152-F155 VanDerWaalsContact O-N 3.13Å; D153-F155 VanDerWaalsContact C-N 3.29Å; D153-F155 PolarHBondContact O-N 3.27Å; F155-W158 PolarHBondContact O-N 2.92Å; F155-V159 HydrophobicContact CD2-CG2 4.11Å; F155-V159 HydrophobicContact CE1-CG2 4.46Å; F155-V159 HydrophobicContact CE2-CG2 3.79Å; F155-V159 HydrophobicContact CZ-CG2 4Å; F155-V159 WeakPolarHBondContact O-CG2 3.38Å; F155-V159 PolarHBondContact O-N 3.42Å
156	Y	89.3	Confident	90.8	Very high	107 Å²	107	49.7 Å²	49.7	42%	0.42	25%	0.247	S	C	.	.	H	α-helix	trans	-66.1	-41.4	179.4	-74	-64.4	0	0	0	112.7	H152 D153 W158 V159 T160	H152-Y156 HydrophobicContact CB-CD2 4.46Å; H152-Y156 HydrophobicContact CB-CE2 4.38Å; H152-Y156 WeakPolarHBondContact O-CD2 3.42Å; H152-Y156 PolarHBondContact O-N 3.23Å; D153-Y156 PolarHBondContact O-N 3.4Å; Y156-W158 VanDerWaalsContact C-N 3.3Å; Y156-W158 PolarHBondContact O-N 2.96Å; Y156-V159 PolarHBondContact O-N 3.18Å; Y156-T160 WeakPolarHBondContact O-CB 3.42Å; Y156-T160 PolarHBondContact O-N 2.95Å; Y156-T160 PolarHBondContact O-OG1 2.92Å; Y156-T160 VanDerWaalsContact O-OG1 3.09Å
157	I	87.4	Confident	90.2	Very high	91 Å²	91	50.8 Å²	50.8	47%	0.467	25%	0.254	S	S	.	.	H	α-helix	trans	-54.7	-47.3	174.2	-71.2	163.6	0	0	0	110.9	D153 K161	D153-I157 WeakPolarHBondContact O-CB 3.48Å; D153-I157 WeakPolarHBondContact O-CD1 3.41Å; D153-I157 WeakPolarHBondContact O-CG1 3.28Å; D153-I157 PolarHBondContact O-N 2.89Å; I157-K161 WeakPolarHBondContact O-CB 3.41Å; I157-K161 WeakPolarHBondContact O-CG 3.48Å; I157-K161 PolarHBondContact O-N 3.27Å
158	W	93.6	Very high	89.6	Confident	8 Å²	8	52.5 Å²	52.5	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-36.8	-179.9	-84.3	88.7	0	0	0	113.2	C75 L79 F95 L97 L102 I136 L154 F155 Y156 L162	C75-W158 VanDerWaalsContact O-CH2 3.3Å; C75-W158 WeakPolarHBondContact O-CH2 3.41Å; L79-W158 HydrophobicContact CD1-CD2 3.65Å; L79-W158 HydrophobicContact CD1-CE3 4Å; L79-W158 HydrophobicContact CD1-CG 3.94Å; L79-W158 HydrophobicContact CD1-CZ2 4.28Å; L79-W158 HydrophobicContact CD1-CZ3 4.46Å; L79-W158 HydrophobicContact CD2-CG 4.35Å; L79-W158 HydrophobicContact CG-CD2 4.47Å; F95-W158 HydrophobicContact CB-CH2 3.57Å; F95-W158 HydrophobicContact CB-CZ2 4.17Å; F95-W158 HydrophobicContact CB-CZ3 4.13Å; L97-W158 HydrophobicContact CB-CH2 4.46Å; L97-W158 HydrophobicContact CB-CZ3 3.93Å; L102-W158 HydrophobicContact CD1-CZ3 3.77Å; I136-W158 HydrophobicContact CD1-CB 4.05Å; L154-W158 WeakPolarHBondContact O-CB 3.46Å; L154-W158 VanDerWaalsContact O-CD1 3.22Å; L154-W158 PolarHBondContact O-N 3.21Å; L154-W158 VanDerWaalsContact O-N 3.12Å; F155-W158 PolarHBondContact O-N 2.92Å; Y156-W158 VanDerWaalsContact C-N 3.3Å; Y156-W158 PolarHBondContact O-N 2.96Å; W158-L162 VanDerWaalsContact O-CB 3.32Å; W158-L162 WeakPolarHBondContact O-CB 3.42Å; W158-L162 WeakPolarHBondContact O-CD1 3.34Å; W158-L162 WeakPolarHBondContact O-CG 3.43Å; W158-L162 PolarHBondContact O-N 2.87Å
159	V	92.3	Very high	88.7	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-51.4	173.6	168.8	0	0	0	0	110.8	M127 I129 I136 F155 Y156 K161 L162 Q163	M127-V159 HydrophobicContact CE-CG1 4.07Å; I129-V159 HydrophobicContact CD1-CG1 4.27Å; I129-V159 HydrophobicContact CD1-CG2 4.45Å; I129-V159 HydrophobicContact CG2-CG2 3.92Å; I136-V159 HydrophobicContact CD1-CG2 3.63Å; I136-V159 HydrophobicContact CG1-CG2 3.88Å; F155-V159 HydrophobicContact CD2-CG2 4.11Å; F155-V159 HydrophobicContact CE1-CG2 4.46Å; F155-V159 HydrophobicContact CE2-CG2 3.79Å; F155-V159 HydrophobicContact CZ-CG2 4Å; F155-V159 WeakPolarHBondContact O-CG2 3.38Å; F155-V159 PolarHBondContact O-N 3.42Å; Y156-V159 PolarHBondContact O-N 3.18Å; V159-K161 PolarHBondContact O-N 2.91Å; V159-L162 PolarHBondContact O-N 3.07Å; V159-Q163 WeakPolarHBondContact O-CG 3.5Å; V159-Q163 PolarHBondContact O-N 3.11Å
160	T	88.9	Confident	87.4	Confident	88 Å²	88	56.1 Å²	56.1	54%	0.54	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-42.5	179.4	-57.6	0	0	0	0	112	Y156 Q163 A164	Y156-T160 WeakPolarHBondContact O-CB 3.42Å; Y156-T160 PolarHBondContact O-N 2.95Å; Y156-T160 PolarHBondContact O-OG1 2.92Å; Y156-T160 VanDerWaalsContact O-OG1 3.09Å; T160-Q163 PolarHBondContact O-N 3.15Å; T160-A164 PolarHBondContact O-N 2.85Å
161	K	90.4	Very high	86.4	Confident	66 Å²	66	50.9 Å²	50.9	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-42.4	176.2	-76.7	-74.5	-170.8	174.5	0	112.1	G73 C75 L97 I157 V159 Q163 A164 H165	G73-K161 PolarHBondContact O-NZ 2.86Å; C75-K161 HydrophobicContact CB-CB 3.96Å; C75-K161 HydrophobicContact CB-CD 4Å; C75-K161 HydrophobicContact CB-CG 3.81Å; L97-K161 HydrophobicContact CD2-CB 4.18Å; I157-K161 WeakPolarHBondContact O-CB 3.41Å; I157-K161 WeakPolarHBondContact O-CG 3.48Å; I157-K161 PolarHBondContact O-N 3.27Å; V159-K161 PolarHBondContact O-N 2.91Å; K161-Q163 VanDerWaalsContact C-N 3.34Å; K161-Q163 PolarHBondContact O-N 2.82Å; K161-A164 PolarHBondContact O-N 2.75Å; K161-H165 PolarHBondContact O-CD2 3.45Å; K161-H165 PolarHBondContact O-N 2.87Å
162	L	92.9	Very high	85.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-42.9	174.4	-75.1	164.9	0	0	0	111.6	L97 L102 V122 M127 I136 L138 W158 V159 H165 R166	L97-L162 HydrophobicContact CD1-CD2 4.18Å; L97-L162 HydrophobicContact CD2-CD2 3.74Å; L97-L162 HydrophobicContact CD2-CG 4.03Å; L102-L162 HydrophobicContact CD2-CD2 4.35Å; V122-L162 HydrophobicContact CB-CD2 4.45Å; V122-L162 HydrophobicContact CG1-CD2 3.78Å; M127-L162 HydrophobicContact SD-CB 3.82Å; M127-L162 HydrophobicContact SD-CD1 3.92Å; M127-L162 HydrophobicContact SD-CG 4.49Å; I136-L162 HydrophobicContact CD1-CD1 4.14Å; I136-L162 HydrophobicContact CG2-CD1 3.98Å; L138-L162 HydrophobicContact CD1-CD1 4.23Å; L138-L162 HydrophobicContact CD1-CD2 4.08Å; W158-L162 VanDerWaalsContact O-CB 3.32Å; W158-L162 WeakPolarHBondContact O-CB 3.42Å; W158-L162 WeakPolarHBondContact O-CD1 3.34Å; W158-L162 WeakPolarHBondContact O-CG 3.43Å; W158-L162 PolarHBondContact O-N 2.87Å; V159-L162 PolarHBondContact O-N 3.07Å; L162-H165 PolarHBondContact O-N 2.95Å; L162-R166 WeakPolarHBondContact O-CB 3.17Å; L162-R166 WeakPolarHBondContact O-CG 3.43Å; L162-R166 PolarHBondContact O-N 3.47Å
163	Q	90.1	Very high	83.7	Confident	47 Å²	47	52.2 Å²	52.2	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-47.8	175.3	-69.3	174	-83.5	0	0	112.3	I52 M127 V159 T160 K161 H165 R166 L167	I52-Q163 HydrophobicContact CG2-CG 3.98Å; M127-Q163 HydrophobicContact CE-CG 3.78Å; V159-Q163 WeakPolarHBondContact O-CG 3.5Å; V159-Q163 PolarHBondContact O-N 3.11Å; T160-Q163 PolarHBondContact O-N 3.15Å; K161-Q163 VanDerWaalsContact C-N 3.34Å; K161-Q163 PolarHBondContact O-N 2.82Å; Q163-H165 PolarHBondContact O-N 2.62Å; Q163-R166 PolarHBondContact O-N 3.06Å; Q163-L167 PolarHBondContact O-N 3.02Å
164	A	85.8	Confident	82.2	Confident	39 Å²	39	51.4 Å²	51.4	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-42.5	179.2	0	0	0	0	0	112.5	P72 T160 K161 L167 Y168	P72-A164 HydrophobicContact CB-CB 4.33Å; P72-A164 HydrophobicContact CG-CB 4.42Å; T160-A164 PolarHBondContact O-N 2.85Å; K161-A164 PolarHBondContact O-N 2.75Å; A164-L167 PolarHBondContact O-N 2.82Å; A164-Y168 WeakPolarHBondContact O-CB 3.46Å; A164-Y168 PolarHBondContact O-N 2.99Å
165	H	89.4	Confident	80.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.4	-31.5	176.7	-80.7	-76.4	0	0	0	113.5	P72 L97 G100 V122 K161 L162 Q163 K169	P72-H165 PolarHBondContact O-CE1 3.48Å; P72-H165 PolarHBondContact O-NE2 3.39Å; L97-H165 HydrophobicContact CD1-CB 4.16Å; L97-H165 HydrophobicContact CD2-CB 4.22Å; L97-H165 WeakPolarHBondContact CD2-CD2 3.49Å; L97-H165 HydrophobicContact CG-CB 4.27Å; L97-H165 VanDerWaalsContact CG-CD2 3.43Å; L97-H165 WeakPolarHBondContact CG-CD2 3.4Å; G100-H165 PolarHBondContact N-ND1 2.76Å; V122-H165 HydrophobicContact CG2-CB 4.21Å; K161-H165 PolarHBondContact O-CD2 3.45Å; K161-H165 PolarHBondContact O-N 2.87Å; L162-H165 PolarHBondContact O-N 2.95Å; Q163-H165 PolarHBondContact O-N 2.62Å; H165-K169 PolarHBondContact O-N 3.18Å
166	R	88.4	Confident	78.3	Confident	20 Å²	20	58.2 Å²	58.2	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-45.1	172.1	-74.3	176.9	73.7	-106.9	-19.7	111.4	I52 D54 V122 A125 L162 Q163 K170	I52-R166 PolarHBondContact O-NH1 2.77Å; D54-R166 IonicContact OD1-CZ 3.02Å; D54-R166 IonicContact OD1-NH1 3.22Å; D54-R166 PolarHBondContact OD1-NH1 3.27Å; D54-R166 IonicContact OD1-NH2 2.83Å; D54-R166 PolarHBondContact OD1-NH2 2.99Å; D54-R166 IonicContact OD2-NH2 3.68Å; V122-R166 HydrophobicContact CB-CG 3.8Å; V122-R166 HydrophobicContact CG2-CG 3.49Å; V122-R166 VanDerWaalsContact CG2-CG 3.49Å; V122-R166 WeakPolarHBondContact O-CD 3.41Å; V122-R166 VanDerWaalsContact O-CG 3.27Å; V122-R166 WeakPolarHBondContact O-CG 3.33Å; V122-R166 PolarHBondContact O-NE 2.83Å; A125-R166 PolarHBondContact O-NE 3.46Å; L162-R166 WeakPolarHBondContact O-CB 3.17Å; L162-R166 WeakPolarHBondContact O-CG 3.43Å; L162-R166 PolarHBondContact O-N 3.47Å; Q163-R166 PolarHBondContact O-N 3.06Å; R166-K170 WeakPolarHBondContact O-CB 3.47Å; R166-K170 PolarHBondContact O-N 3.3Å
167	L	81.6	Confident	76.3	Confident	60 Å²	60	60 Å²	60	31%	0.314	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-44.7	177.5	-176.8	60.8	0	0	0	112.1	Q163 A164 K170 N171	Q163-L167 PolarHBondContact O-N 3.02Å; A164-L167 PolarHBondContact O-N 2.82Å; L167-K170 WeakPolarHBondContact O-CB 3.49Å; L167-K170 PolarHBondContact O-N 3.29Å; L167-N171 PolarHBondContact O-N 3.27Å; L167-N171 PolarHBondContact O-OD1 2.81Å
168	Y	82.9	Confident	74.1	Confident	39 Å²	39	57.3 Å²	57.3	15%	0.153	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-52.2	178.2	171.5	-105.5	0	0	0	113	M69 P71 P72 A164 K170 N171 E172	M69-Y168 WeakPolarHBondContact O-CE2 3.32Å; P71-Y168 HydrophobicContact CB-CE1 4.18Å; P71-Y168 HydrophobicContact CB-CE2 4.19Å; P72-Y168 HydrophobicContact CG-CG 4.07Å; A164-Y168 WeakPolarHBondContact O-CB 3.46Å; A164-Y168 PolarHBondContact O-N 2.99Å; Y168-K170 VanDerWaalsContact C-N 3.3Å; Y168-K170 PolarHBondContact O-N 2.91Å; Y168-N171 PolarHBondContact O-N 3.01Å; Y168-N171 VanDerWaalsContact O-N 3.14Å; Y168-E172 HydrophobicContact CE1-CG 4.26Å; Y168-E172 WeakPolarHBondContact CE1-OE2 3.38Å; Y168-E172 HydrophobicContact CE2-CG 4.28Å; Y168-E172 PolarHBondContact O-N 2.93Å
169	K	76.3	Confident	71.4	Confident	48 Å²	48	58.7 Å²	58.7	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-37.3	179.5	-98.3	-71.4	170.5	-132.5	0	113	A99 H165 N171 E172 T173	A99-K169 VanDerWaalsContact O-CE 3.24Å; A99-K169 WeakPolarHBondContact O-CE 3.43Å; H165-K169 PolarHBondContact O-N 3.18Å; K169-N171 VanDerWaalsContact C-N 3.31Å; K169-N171 PolarHBondContact O-N 2.96Å; K169-E172 VanDerWaalsContact CD-OE2 3.25Å; K169-E172 WeakPolarHBondContact CD-OE2 3.23Å; K169-E172 VanDerWaalsContact CE-OE2 3.26Å; K169-E172 WeakPolarHBondContact CE-OE2 3.49Å; K169-E172 IonicContact NZ-OE1 2.63Å; K169-E172 PolarHBondContact NZ-OE1 2.7Å; K169-E172 IonicContact NZ-OE2 2.71Å; K169-E172 PolarHBondContact NZ-OE2 2.7Å; K169-E172 PolarHBondContact O-N 2.9Å; K169-T173 PolarHBondContact O-N 2.96Å; K169-T173 VanDerWaalsContact O-N 3.09Å; K169-T173 PolarHBondContact O-OG1 2.83Å
170	K	68.9	Low	68.9	Low	100 Å²	100	64 Å²	64	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-38.6	176.4	-165.8	178.3	-173.4	178.5	0	111.6	D54 R166 L167 Y168 T173 T174	D54-K170 IonicContact OD2-NZ 3.23Å; D54-K170 PolarHBondContact OD2-NZ 3.09Å; R166-K170 WeakPolarHBondContact O-CB 3.47Å; R166-K170 PolarHBondContact O-N 3.3Å; L167-K170 WeakPolarHBondContact O-CB 3.49Å; L167-K170 PolarHBondContact O-N 3.29Å; Y168-K170 VanDerWaalsContact C-N 3.3Å; Y168-K170 PolarHBondContact O-N 2.91Å; K170-T173 PolarHBondContact O-OG1 2.73Å; K170-T174 PolarHBondContact O-N 3.4Å; K170-T174 PolarHBondContact O-OG1 3.14Å
171	N	69.1	Low	66.6	Low	46 Å²	46	65.2 Å²	65.2	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-44.9	175.3	-68	0.1	0	0	0	111.4	M69 L167 Y168 K169 T173 T174 H175	M69-N171 PolarHBondContact SD-ND2 2.86Å; L167-N171 PolarHBondContact O-N 3.27Å; L167-N171 PolarHBondContact O-OD1 2.81Å; Y168-N171 PolarHBondContact O-N 3.01Å; Y168-N171 VanDerWaalsContact O-N 3.14Å; K169-N171 VanDerWaalsContact C-N 3.31Å; K169-N171 PolarHBondContact O-N 2.96Å; N171-T173 VanDerWaalsContact C-N 3.33Å; N171-T173 PolarHBondContact O-N 2.94Å; N171-T174 WeakPolarHBondContact O-CA 3.17Å; N171-T174 WeakPolarHBondContact O-CB 3.39Å; N171-T174 PolarHBondContact O-N 2.66Å; N171-H175 PolarHBondContact O-CD2 2.93Å; N171-H175 PolarHBondContact O-N 2.9Å
172	E	66.7	Low	64.1	Low	70 Å²	70	68.2 Å²	68.2	33%	0.327	37%	0.373	S	S	.	.	H	α-helix	trans	-52.1	-48.8	173.4	-77.5	-178.6	87.8	0	0	112.1	Y168 K169 T174 H175 A176	Y168-E172 HydrophobicContact CE1-CG 4.26Å; Y168-E172 WeakPolarHBondContact CE1-OE2 3.38Å; Y168-E172 HydrophobicContact CE2-CG 4.28Å; Y168-E172 PolarHBondContact O-N 2.93Å; K169-E172 VanDerWaalsContact CD-OE2 3.25Å; K169-E172 WeakPolarHBondContact CD-OE2 3.23Å; K169-E172 VanDerWaalsContact CE-OE2 3.26Å; K169-E172 WeakPolarHBondContact CE-OE2 3.49Å; K169-E172 IonicContact NZ-OE1 2.63Å; K169-E172 PolarHBondContact NZ-OE1 2.7Å; K169-E172 IonicContact NZ-OE2 2.71Å; K169-E172 PolarHBondContact NZ-OE2 2.7Å; K169-E172 PolarHBondContact O-N 2.9Å; E172-T174 PolarHBondContact O-N 2.68Å; E172-H175 PolarHBondContact O-N 2.91Å; E172-A176 WeakPolarHBondContact O-CB 3.37Å; E172-A176 PolarHBondContact O-N 2.96Å
173	T	56.1	Low	61.5	Low	81 Å²	81	73.1 Å²	73.1	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-26.5	178.8	47.6	0	0	0	0	113.6	K169 K170 N171 H177	K169-T173 PolarHBondContact O-N 2.96Å; K169-T173 VanDerWaalsContact O-N 3.09Å; K169-T173 PolarHBondContact O-OG1 2.83Å; K170-T173 PolarHBondContact O-OG1 2.73Å; N171-T173 VanDerWaalsContact C-N 3.33Å; N171-T173 PolarHBondContact O-N 2.94Å; T173-H177 PolarHBondContact O-ND1 3.3Å
174	T	54.9	Low	59.1	Low	92 Å²	92	76.4 Å²	76.4	56%	0.564	42%	0.421	S	S	*	.	H	α-helix	trans	-78.7	-44.5	177.5	-54.1	0	0	0	0	110.9	K170 N171 E172 A176 H177 G178	K170-T174 PolarHBondContact O-N 3.4Å; K170-T174 PolarHBondContact O-OG1 3.14Å; N171-T174 WeakPolarHBondContact O-CA 3.17Å; N171-T174 WeakPolarHBondContact O-CB 3.39Å; N171-T174 PolarHBondContact O-N 2.66Å; E172-T174 PolarHBondContact O-N 2.68Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 2.76Å; T174-H177 PolarHBondContact O-N 2.83Å; T174-G178 PolarHBondContact O-N 2.98Å; T174-G178 VanDerWaalsContact O-N 3.12Å
175	H	51.8	Low	56.9	Low	143 Å²	143	77.9 Å²	77.9	66%	0.662	43%	0.429	S	S	*	.	H	α-helix	trans	-64.1	-35	175.1	-73.8	-73.7	0	0	0	112.6	N171 E172 H177 G178 G179	N171-H175 PolarHBondContact O-CD2 2.93Å; N171-H175 PolarHBondContact O-N 2.9Å; E172-H175 PolarHBondContact O-N 2.91Å; H175-H177 VanDerWaalsContact C-N 3.31Å; H175-H177 PolarHBondContact O-N 3.27Å; H175-G178 PolarHBondContact O-N 3.27Å; H175-G178 VanDerWaalsContact O-N 3.16Å; H175-G179 PolarHBondContact O-N 3.05Å
176	A	47.8	Very low	54.2	Low	68 Å²	68	83.6 Å²	83.6	56%	0.562	46%	0.46	S	S	*	.	H	α-helix	trans	-60.7	-36.2	174.8	0	0	0	0	0	113.2	E172 T174	E172-A176 WeakPolarHBondContact O-CB 3.37Å; E172-A176 PolarHBondContact O-N 2.96Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 2.76Å
177	H	46.5	Very low	51.7	Low	145 Å²	145	86.6 Å²	86.6	67%	0.671	49%	0.489	S	S	*	.	H	α-helix	trans	-73.4	-37.8	172.7	-86.9	64.5	0	0	0	112.4	T173 T174 H175 L181	T173-H177 PolarHBondContact O-ND1 3.3Å; T174-H177 PolarHBondContact O-N 2.83Å; H175-H177 VanDerWaalsContact C-N 3.31Å; H175-H177 PolarHBondContact O-N 3.27Å; H177-L181 PolarHBondContact O-N 2.73Å
178	G	41.1	Very low	49.6	Very low	35 Å²	35	89.3 Å²	89.3	36%	0.361	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-44	176.2	0	0	0	0	0	113.1	T174 H175 L180 L181 Q182	T174-G178 PolarHBondContact O-N 2.98Å; T174-G178 VanDerWaalsContact O-N 3.12Å; H175-G178 PolarHBondContact O-N 3.27Å; H175-G178 VanDerWaalsContact O-N 3.16Å; G178-L180 PolarHBondContact O-N 2.71Å; G178-L181 PolarHBondContact O-N 3.27Å; G178-Q182 PolarHBondContact O-N 3.36Å
179	G	37.3	Very low	47.3	Very low	37 Å²	37	95.4 Å²	95.4	38%	0.381	54%	0.538	S	S	.	.	H	α-helix	trans	-58.2	-45.6	179.1	0	0	0	0	0	112.9	H175 L181 Q182 T183	H175-G179 PolarHBondContact O-N 3.05Å; G179-L181 VanDerWaalsContact C-N 3.33Å; G179-L181 PolarHBondContact O-N 3.24Å; G179-Q182 PolarHBondContact O-N 3.08Å; G179-Q182 VanDerWaalsContact O-N 3.11Å; G179-T183 PolarHBondContact O-N 3.18Å; G179-T183 PolarHBondContact O-OG1 2.78Å
180	L	40.7	Very low	45.2	Very low	118 Å²	118	100.1 Å²	100.1	62%	0.618	57%	0.571	S	S	*	*	H	α-helix	trans	-59.6	-41.9	179.2	-171	69.8	0	0	0	112.5	G178 Q182 L184	G178-L180 PolarHBondContact O-N 2.71Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 3.05Å
181	L	41.1	Very low	43.2	Very low	113 Å²	113	98.6 Å²	98.6	59%	0.592	58%	0.584	S	S	*	*	H	α-helix	trans	-67.8	-34.2	176.1	-70.4	167.3	0	0	0	112.3	H177 G178 G179 L184 S185	H177-L181 PolarHBondContact O-N 2.73Å; G178-L181 PolarHBondContact O-N 3.27Å; G179-L181 VanDerWaalsContact C-N 3.33Å; G179-L181 PolarHBondContact O-N 3.24Å; L181-L184 PolarHBondContact O-N 2.78Å; L181-S185 WeakPolarHBondContact O-CB 3.48Å; L181-S185 PolarHBondContact O-N 3.08Å; L181-S185 PolarHBondContact O-OG 2.96Å
182	Q	36.9	Very low	41.1	Very low	130 Å²	130	106 Å²	106	61%	0.607	62%	0.617	S	S	*	*	H	α-helix	trans	-74.1	-34.5	179.3	-157.3	161.4	16.5	0	0	112.6	G178 G179 L180 L184 S185 N186	G178-Q182 PolarHBondContact O-N 3.36Å; G179-Q182 PolarHBondContact O-N 3.08Å; G179-Q182 VanDerWaalsContact O-N 3.11Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; Q182-L184 VanDerWaalsContact C-N 3.35Å; Q182-S185 PolarHBondContact O-N 2.75Å; Q182-N186 PolarHBondContact O-N 2.71Å; Q182-N186 VanDerWaalsContact O-N 3.09Å
183	T	38.8	Very low	39.3	Very low	105 Å²	105	106.7 Å²	106.7	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-63.5	-40.7	171.1	-26.5	0	0	0	0	111.9	G179 S185 A187	G179-T183 PolarHBondContact O-N 3.18Å; G179-T183 PolarHBondContact O-OG1 2.78Å; T183-S185 VanDerWaalsContact C-N 3.29Å; T183-S185 PolarHBondContact O-N 3.34Å; T183-A187 PolarHBondContact O-N 3.27Å
184	L	40.3	Very low	37.9	Very low	116 Å²	116	112.6 Å²	112.6	61%	0.607	66%	0.656	S	S	*	*	H	α-helix	trans	-66.8	-30.6	175.6	-69.9	167.9	0	0	0	112.5	L180 L181 Q182	L180-L184 WeakPolarHBondContact O-CG 3.27Å; L180-L184 PolarHBondContact O-N 3.05Å; L181-L184 PolarHBondContact O-N 2.78Å; Q182-L184 VanDerWaalsContact C-N 3.35Å
185	S	37.6	Very low	36.6	Very low	70 Å²	70	118.9 Å²	118.9	49%	0.49	67%	0.669	S	S	.	*	H	α-helix	trans	-75.5	-39.9	179.9	-58.7	0	0	0	0	112.4	L181 Q182 T183 A187 T188	L181-S185 WeakPolarHBondContact O-CB 3.48Å; L181-S185 PolarHBondContact O-N 3.08Å; L181-S185 PolarHBondContact O-OG 2.96Å; Q182-S185 PolarHBondContact O-N 2.75Å; T183-S185 VanDerWaalsContact C-N 3.29Å; T183-S185 PolarHBondContact O-N 3.34Å; S185-A187 VanDerWaalsContact C-N 3.31Å; S185-A187 PolarHBondContact O-N 3.26Å; S185-T188 PolarHBondContact O-N 2.73Å; S185-T188 PolarHBondContact O-OG1 2.87Å; S185-T188 VanDerWaalsContact O-OG1 3.05Å
186	N	33.3	Very low	35.4	Very low	119 Å²	119	119.5 Å²	119.5	64%	0.636	68%	0.678	S	S	*	*	H	α-helix	trans	-73.8	-20.6	-179.3	-74.8	3.8	0	0	0	113.4	Q182 T188	Q182-N186 PolarHBondContact O-N 2.71Å; Q182-N186 VanDerWaalsContact O-N 3.09Å; N186-T188 PolarHBondContact O-N 2.88Å
187	A	35.5	Very low	34.4	Very low	84 Å²	84	120.1 Å²	120.1	69%	0.694	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-11.2	177.3	0	0	0	0	0	114.3	T183 S185	T183-A187 PolarHBondContact O-N 3.27Å; S185-A187 VanDerWaalsContact C-N 3.31Å; S185-A187 PolarHBondContact O-N 3.26Å
188	T	38.1	Very low	33.3	Very low	116 Å²	116	120.6 Å²	120.6	71%	0.712	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	6.4	-176.8	50.6	0	0	0	0	114.6	S185 N186	S185-T188 PolarHBondContact O-N 2.73Å; S185-T188 PolarHBondContact O-OG1 2.87Å; S185-T188 VanDerWaalsContact O-OG1 3.05Å; N186-T188 PolarHBondContact O-N 2.88Å
189	Q	34.4	Very low	32.6	Very low	168 Å²	168	124.8 Å²	124.8	79%	0.785	72%	0.716	S	S	*	*	S	Bend	trans	-131.1	63.2	177.7	-65.6	-164.8	12	0	0	114.1
190	T	32.4	Very low	32	Very low	146 Å²	146	128.4 Å²	128.4	90%	0.896	74%	0.736	S	S	*	*			trans	-158.7	97.5	147.8	11.8	0	0	0	0	109.5
191	G	26.1	Very low	31.2	Very low	69 Å²	69	130.8 Å²	130.8	71%	0.711	75%	0.749	S	S	*	*			trans	-164.9	125.7	-179.2	0	0	0	0	0	112.1
192	Q	26.6	Very low	30.5	Very low	201 Å²	201	130.5 Å²	130.5	94%	0.939	76%	0.763	S	S	*	*			trans	71	131.2	-171.8	-51.7	-177	14.3	0	0	114.9
193	A	27.8	Very low	29.9	Very low	84 Å²	84	127.4 Å²	127.4	69%	0.694	77%	0.766	S	S	*	*			cis	-159.8	152.9	-15.4	0	0	0	0	0	110.6
194	H	27.3	Very low	29.2	Very low	205 Å²	205	128.4 Å²	128.4	95%	0.949	77%	0.771	S	S	*	*			trans	-150.4	159.3	146.8	-106.1	-77.3	0	0	0	109.7
195	R	27.8	Very low	28.4	Very low	224 Å²	224	130.4 Å²	130.4	85%	0.845	78%	0.778	S	S	*	*			trans	-131.4	153.5	-167.4	-148.3	-176.1	-172.9	-176.4	0.9	110.3
196	N	26.6	Very low	27.9	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	79%	0.787	S	S	*	*			trans	77.4	137.5	175.6	-50.9	-0	0	0	0	115.5
197	G	26.5	Very low	27.4	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	79%	0.79	S	S	*	*			trans	158.8	106.3	-179.9	0	0	0	0	0	110.7
198	D	24	Very low	27	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	80%	0.797	S	S	*	*			trans	-79.3	159.5	-167.4	-101.4	-50.4	0	0	0	116.1
199	V	25.1	Very low	26.5	Very low	122 Å²	122	131.5 Å²	131.5	74%	0.739	80%	0.803	S	S	*	*			trans	57.2	115.9	144.5	173.6	0	0	0	0	119.2
200	S	24.7	Very low	26	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	81%	0.806	S	S	*	*				-176.9	168.7	91.9	-149.2	0	0	0	0	114.6
201	L	24.8	Very low	26	Very low	168 Å²	168	127.1 Å²	127.1	88%	0.88	81%	0.81	S	S	*	*			trans	-91.6	143.6	-179.9	-101.4	68	0	0	0	113.5
202	A	25.6	Very low	25.9	Very low	107 Å²	107	127.3 Å²	127.3	88%	0.884	81%	0.811	S	S	*	*				169.7	136	125.6	0	0	0	0	0	110.2
203	G	24.2	Very low	25.8	Very low	65 Å²	65	124.4 Å²	124.4	67%	0.67	81%	0.807	S	S	*	*			cis	159.4	155.6	-8	0	0	0	0	0	111
204	V	25.4	Very low	25.8	Very low	126 Å²	126	128.4 Å²	128.4	76%	0.764	82%	0.816	S	S	*	*			trans	67	99.6	168.2	-174.6	0	0	0	0	113.6
205	E	23.5	Very low	25.8	Very low	158 Å²	158	124.2 Å²	124.2	74%	0.738	81%	0.807	S	S	*	*				67.6	150.9	85.8	-70.6	179.3	-142.2	0	0	113.7
206	N	25.5	Very low	25.9	Very low	129 Å²	129	119.3 Å²	119.3	69%	0.69	81%	0.807	S	S	*	*			cis	-165.9	170.8	-5.9	-109.3	-28.6	0	0	0	106.1
207	S	24.5	Very low	26.1	Very low	100 Å²	100	116 Å²	116	70%	0.699	80%	0.801	S	S	*	*			cis	-167.4	172.7	-13.5	48.5	0	0	0	0	108.4
208	A	25.6	Very low	26.4	Very low	102 Å²	102	118.4 Å²	118.4	84%	0.843	80%	0.795	S	S	*	*			trans	9.4	151.7	160.8	0	0	0	0	0	122.4
209	G	29.1	Very low	27	Very low	81 Å²	81	116.4 Å²	116.4	84%	0.835	79%	0.789	S	S	*	*			cis	127.6	127.8	5.6	0	0	0	0	0	111.9
210	G	22.7	Very low	27.5	Very low	82 Å²	82	113.9 Å²	113.9	85%	0.845	78%	0.781	S	S	*	*			trans	-160.7	136.2	178.5	0	0	0	0	0	111.6
211	S	33.5	Very low	28.2	Very low	139 Å²	139	112.7 Å²	112.7	97%	0.972	77%	0.769	S	S	*	*			trans	-99.6	137.1	-173.8	-72.9	0	0	0	0	112.9
212	G	23.2	Very low	28.9	Very low	73 Å²	73	110 Å²	110	75%	0.753	76%	0.755	S	S	*	*			trans	-140.8	123.8	173.6	0	0	0	0	0	111.8
213	V	24.9	Very low	29.6	Very low	141 Å²	141	108.3 Å²	108.3	86%	0.855	74%	0.737	S	S	*	*			trans	-7.3	117.9	171.1	-175.9	0	0	0	0	117	P215	V213-P215 WeakPolarHBondContact O-CD 3.4Å
214	L	27.1	Very low	30.3	Very low	167 Å²	167	113 Å²	113	87%	0.874	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-68.4	124.2	167.7	-78.7	165.2	0	0	0	111.9
215	P	27.9	Very low	31	Very low	117 Å²	117	110.7 Å²	110.7	76%	0.76	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-69.8	139.9	167.1	-17.4	32.5	0	0	0	111.5	V213 A217	V213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-A217 PolarHBondContact O-N 2.89Å
216	S	29.3	Very low	31.9	Very low	122 Å²	122	105.6 Å²	105.6	85%	0.853	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.9	179.9	-168.7	0	0	0	0	112.3
217	A	31.7	Very low	32.6	Very low	86 Å²	86	101.7 Å²	101.7	71%	0.711	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-80.4	139.1	-176.1	0	0	0	0	0	113.1	P215 T219	P215-A217 PolarHBondContact O-N 2.89Å; A217-T219 PolarHBondContact O-N 2.67Å
218	N	31.3	Very low	33.5	Very low	131 Å²	131	105.7 Å²	105.7	70%	0.701	69%	0.692	S	S	*	*			trans	-50.6	102.2	-173.2	-76.3	-67.9	0	0	0	115.6	A220 V221	N218-A220 PolarHBondContact O-N 3.21Å; N218-V221 HydrophobicContact CB-CG2 4.22Å; N218-V221 PolarHBondContact O-N 2.97Å; N218-V221 VanDerWaalsContact O-N 3.12Å
219	T	36.7	Very low	34.4	Very low	115 Å²	115	105.6 Å²	105.6	71%	0.706	68%	0.676	S	S	*	*	H	α-helix	trans	-53.8	-26.1	175.9	-33.6	0	0	0	0	113.8	A217 V221 S223	A217-T219 PolarHBondContact O-N 2.67Å; T219-V221 VanDerWaalsContact C-N 3.32Å; T219-V221 PolarHBondContact O-N 3.18Å; T219-S223 PolarHBondContact O-N 2.76Å
220	A	36.2	Very low	35	Very low	68 Å²	68	110.5 Å²	110.5	56%	0.562	67%	0.67	S	S	*	*	H	α-helix	trans	-70	-19.1	-179.2	0	0	0	0	0	115	N218 S223	N218-A220 PolarHBondContact O-N 3.21Å; A220-S223 PolarHBondContact O-OG 3.48Å
221	V	38.6	Very low	35.8	Very low	90 Å²	90	114.5 Å²	114.5	55%	0.545	67%	0.666	S	S	.	*	H	α-helix	trans	-80.3	-49	177.6	-178.6	0	0	0	0	110	N218 T219 S223 K224 V225	N218-V221 HydrophobicContact CB-CG2 4.22Å; N218-V221 PolarHBondContact O-N 2.97Å; N218-V221 VanDerWaalsContact O-N 3.12Å; T219-V221 VanDerWaalsContact C-N 3.32Å; T219-V221 PolarHBondContact O-N 3.18Å; V221-S223 VanDerWaalsContact C-N 3.29Å; V221-S223 PolarHBondContact O-N 3.06Å; V221-K224 PolarHBondContact O-N 3.4Å; V221-K224 VanDerWaalsContact O-N 3.14Å; V221-V225 PolarHBondContact O-N 3.11Å
222	N	39.9	Very low	36.4	Very low	112 Å²	112	111 Å²	111	60%	0.599	64%	0.641	S	S	*	*	H	α-helix	trans	-60.5	-37.4	179.3	-72.8	-20	0	0	0	112.2	K224 V225 S226	N222-K224 VanDerWaalsContact C-N 3.29Å; N222-K224 PolarHBondContact O-N 2.91Å; N222-V225 PolarHBondContact O-N 2.69Å; N222-S226 PolarHBondContact O-N 2.93Å; N222-S226 PolarHBondContact O-OG 3.31Å; N222-S226 VanDerWaalsContact O-OG 3.09Å
223	S	41	Very low	37.4	Very low	71 Å²	71	114.5 Å²	114.5	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-61.9	-33.9	177.6	68.9	0	0	0	0	113.4	T219 A220 V221 A227	T219-S223 PolarHBondContact O-N 2.76Å; A220-S223 PolarHBondContact O-OG 3.48Å; V221-S223 VanDerWaalsContact C-N 3.29Å; V221-S223 PolarHBondContact O-N 3.06Å; S223-A227 VanDerWaalsContact O-CB 3.24Å; S223-A227 WeakPolarHBondContact O-CB 3.2Å; S223-A227 PolarHBondContact O-N 3.42Å
224	K	38.7	Very low	38.8	Very low	164 Å²	164	112.5 Å²	112.5	71%	0.713	62%	0.622	S	S	*	*	H	α-helix	trans	-70.8	-42.6	174.2	-77.6	-175.5	174.2	-179.7	0	112.5	V221 N222 A227 W228	V221-K224 PolarHBondContact O-N 3.4Å; V221-K224 VanDerWaalsContact O-N 3.14Å; N222-K224 VanDerWaalsContact C-N 3.29Å; N222-K224 PolarHBondContact O-N 2.91Å; K224-A227 PolarHBondContact O-N 2.88Å; K224-W228 WeakPolarHBondContact O-CB 3.41Å; K224-W228 PolarHBondContact O-N 2.97Å
225	V	40.1	Very low	40.2	Very low	76 Å²	76	107.7 Å²	107.7	46%	0.461	60%	0.601	S	S	.	*	H	α-helix	trans	-62.9	-44.4	176.2	-179.5	0	0	0	0	110.2	V221 N222 A227 W228 L229	V221-V225 PolarHBondContact O-N 3.11Å; N222-V225 PolarHBondContact O-N 2.69Å; V225-A227 PolarHBondContact O-N 3.44Å; V225-W228 PolarHBondContact O-N 3.25Å; V225-L229 HydrophobicContact CG1-CD1 4.11Å; V225-L229 WeakPolarHBondContact O-CG 3.32Å; V225-L229 PolarHBondContact O-N 3.22Å
226	S	42.9	Very low	41.6	Very low	52 Å²	52	106.6 Å²	106.6	36%	0.364	59%	0.589	S	S	.	*	H	α-helix	trans	-63.7	-35.9	173.5	-56.9	0	0	0	0	113.4	N222 R230	N222-S226 PolarHBondContact O-N 2.93Å; N222-S226 PolarHBondContact O-OG 3.31Å; N222-S226 VanDerWaalsContact O-OG 3.09Å; S226-R230 VanDerWaalsContact O-CG 3.24Å; S226-R230 WeakPolarHBondContact O-CG 3.47Å; S226-R230 PolarHBondContact O-N 2.78Å; S226-R230 VanDerWaalsContact O-N 3.14Å
227	A	40.7	Very low	43.3	Very low	46 Å²	46	103.7 Å²	103.7	38%	0.38	57%	0.566	S	S	.	*	H	α-helix	trans	-72.3	-31.4	177.1	0	0	0	0	0	113	S223 K224 V225 H231	S223-A227 VanDerWaalsContact O-CB 3.24Å; S223-A227 WeakPolarHBondContact O-CB 3.2Å; S223-A227 PolarHBondContact O-N 3.42Å; K224-A227 PolarHBondContact O-N 2.88Å; V225-A227 PolarHBondContact O-N 3.44Å; A227-H231 PolarHBondContact O-N 3.01Å; A227-H231 PolarHBondContact O-ND1 2.65Å
228	W	42.2	Very low	45.2	Very low	184 Å²	184	102.6 Å²	102.6	70%	0.697	55%	0.553	S	S	*	*	H	α-helix	trans	-70.3	-47.1	172.7	-176.2	80.8	0	0	0	111.2	K224 V225 R230 H231 S232	K224-W228 WeakPolarHBondContact O-CB 3.41Å; K224-W228 PolarHBondContact O-N 2.97Å; V225-W228 PolarHBondContact O-N 3.25Å; W228-R230 PolarHBondContact O-N 2.96Å; W228-H231 WeakPolarHBondContact O-CA 3.35Å; W228-H231 PolarHBondContact O-N 2.94Å; W228-S232 PolarHBondContact O-N 2.65Å; W228-S232 PolarHBondContact O-OG 2.77Å
229	L	44.8	Very low	47.4	Very low	100 Å²	100	98.2 Å²	98.2	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-58.8	-29.8	174.3	-74.8	166.7	0	0	0	113.3	V225 S232	V225-L229 HydrophobicContact CG1-CD1 4.11Å; V225-L229 WeakPolarHBondContact O-CG 3.32Å; V225-L229 PolarHBondContact O-N 3.22Å; L229-S232 WeakPolarHBondContact CA-OG 3.46Å; L229-S232 PolarHBondContact O-OG 3.18Å
230	R	42.1	Very low	49.2	Very low	184 Å²	184	98.3 Å²	98.3	69%	0.694	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.2	172.5	-71.6	170.9	-170.1	177.9	3.7	114.3	S226 W228 H233	S226-R230 VanDerWaalsContact O-CG 3.24Å; S226-R230 WeakPolarHBondContact O-CG 3.47Å; S226-R230 PolarHBondContact O-N 2.78Å; S226-R230 VanDerWaalsContact O-N 3.14Å; W228-R230 PolarHBondContact O-N 2.96Å; R230-H233 PolarHBondContact O-CD2 3.06Å; R230-H233 VanDerWaalsContact O-CD2 3.22Å
231	H	39.7	Very low	51	Low	166 Å²	166	100.6 Å²	100.6	77%	0.769	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-24.2	172.4	-84.5	77.7	0	0	0	112.4	A227 W228 H233	A227-H231 PolarHBondContact O-N 3.01Å; A227-H231 PolarHBondContact O-ND1 2.65Å; W228-H231 WeakPolarHBondContact O-CA 3.35Å; W228-H231 PolarHBondContact O-N 2.94Å; H231-H233 PolarHBondContact O-N 2.82Å
232	S	45.8	Very low	53	Low	65 Å²	65	97.3 Å²	97.3	46%	0.455	50%	0.501	S	S	.	.			trans	-76.8	32.6	174.9	49.7	0	0	0	0	114.3	W228 L229 N234	W228-S232 PolarHBondContact O-N 2.65Å; W228-S232 PolarHBondContact O-OG 2.77Å; L229-S232 WeakPolarHBondContact CA-OG 3.46Å; L229-S232 PolarHBondContact O-OG 3.18Å; S232-N234 VanDerWaalsContact C-N 3.28Å; S232-N234 PolarHBondContact O-N 3.24Å
233	H	44.8	Very low	55	Low	148 Å²	148	96.3 Å²	96.3	69%	0.685	50%	0.496	S	S	*	.			trans	-75.8	80	171.1	-85.8	-57	0	0	0	110.9	R230 H231	R230-H233 PolarHBondContact O-CD2 3.06Å; R230-H233 VanDerWaalsContact O-CD2 3.22Å; H231-H233 PolarHBondContact O-N 2.82Å
234	N	52.3	Low	56.8	Low	98 Å²	98	99.3 Å²	99.3	52%	0.524	50%	0.496	S	S	.	.			trans	-179.9	91	141.6	-91.2	-10.2	0	0	0	108.9	S232 D236 T237	S232-N234 VanDerWaalsContact C-N 3.28Å; S232-N234 PolarHBondContact O-N 3.24Å; N234-D236 PolarHBondContact O-N 3.49Å; N234-T237 WeakPolarHBondContact CB-OG1 3.29Å; N234-T237 PolarHBondContact O-N 2.75Å; N234-T237 VanDerWaalsContact O-N 3.16Å
235	P	57	Low	58.9	Low	66 Å²	66	94.3 Å²	94.3	43%	0.429	48%	0.482	S	S	.	.	H	α-helix	trans	-55.8	-34.3	167.9	24.7	-33.4	0	0	0	110.7	T237 C238 V239 W391	P235-T237 VanDerWaalsContact C-N 3.26Å; P235-T237 PolarHBondContact O-N 3.42Å; P235-C238 WeakPolarHBondContact O-CA 3.47Å; P235-C238 WeakPolarHBondContact O-CB 3.42Å; P235-C238 PolarHBondContact O-N 2.82Å; P235-V239 WeakPolarHBondContact O-CG2 3.35Å; P235-V239 PolarHBondContact O-N 2.96Å; P235-W391 HydrophobicContact CB-CZ3 4.47Å; P235-W391 HydrophobicContact CG-CH2 4.49Å; P235-W391 HydrophobicContact CG-CZ3 4.28Å
236	D	58.2	Low	61.1	Low	94 Å²	94	94.4 Å²	94.4	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-55.1	-34.5	176.5	-56.4	-59.4	0	0	0	114	N234 V239 Q240	N234-D236 PolarHBondContact O-N 3.49Å; D236-V239 WeakPolarHBondContact O-CB 3.27Å; D236-V239 PolarHBondContact O-N 2.95Å; D236-Q240 WeakPolarHBondContact O-CB 3.43Å; D236-Q240 WeakPolarHBondContact O-CG 3.42Å; D236-Q240 PolarHBondContact O-N 3.46Å
237	T	65.4	Low	62.9	Low	61 Å²	61	97.1 Å²	97.1	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-37.7	177	-58.3	0	0	0	0	111	N234 P235 V239 Q240 E241	N234-T237 WeakPolarHBondContact CB-OG1 3.29Å; N234-T237 PolarHBondContact O-N 2.75Å; N234-T237 VanDerWaalsContact O-N 3.16Å; P235-T237 VanDerWaalsContact C-N 3.26Å; P235-T237 PolarHBondContact O-N 3.42Å; T237-V239 VanDerWaalsContact C-N 3.33Å; T237-V239 PolarHBondContact O-N 2.71Å; T237-Q240 PolarHBondContact O-N 2.64Å; T237-E241 WeakPolarHBondContact O-CG 3.32Å; T237-E241 PolarHBondContact O-N 3.1Å
238	C	70.1	Confident	64.8	Low	63 Å²	63	98.5 Å²	98.5	43%	0.426	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-37.3	172.3	-173.6	0	0	0	0	111.7	P235 L242	P235-C238 WeakPolarHBondContact O-CA 3.47Å; P235-C238 WeakPolarHBondContact O-CB 3.42Å; P235-C238 PolarHBondContact O-N 2.82Å; C238-L242 WeakPolarHBondContact O-CB 3.34Å; C238-L242 WeakPolarHBondContact O-CG 3.33Å; C238-L242 PolarHBondContact O-N 2.78Å
239	V	77.6	Confident	66.8	Low	39 Å²	39	90.5 Å²	90.5	24%	0.236	46%	0.461	C	S	.	.	H	α-helix	trans	-62.4	-45.1	172.3	-174.7	0	0	0	0	111.1	P235 D236 T237 N243	P235-V239 WeakPolarHBondContact O-CG2 3.35Å; P235-V239 PolarHBondContact O-N 2.96Å; D236-V239 WeakPolarHBondContact O-CB 3.27Å; D236-V239 PolarHBondContact O-N 2.95Å; T237-V239 VanDerWaalsContact C-N 3.33Å; T237-V239 PolarHBondContact O-N 2.71Å; V239-N243 WeakPolarHBondContact O-CB 3.32Å; V239-N243 PolarHBondContact O-N 2.75Å; V239-N243 PolarHBondContact O-ND2 2.77Å
240	Q	75.5	Confident	68.6	Low	117 Å²	117	88.8 Å²	88.8	55%	0.547	46%	0.457	S	S	.	.	H	α-helix	trans	-63.8	-45.5	-179.7	-73.1	161.4	14.4	0	0	112	D236 T237 N243 R244	D236-Q240 WeakPolarHBondContact O-CB 3.43Å; D236-Q240 WeakPolarHBondContact O-CG 3.42Å; D236-Q240 PolarHBondContact O-N 3.46Å; T237-Q240 PolarHBondContact O-N 2.64Å; Q240-N243 PolarHBondContact O-N 3.34Å; Q240-R244 WeakPolarHBondContact O-CB 3.48Å; Q240-R244 PolarHBondContact O-N 2.8Å
241	E	73.6	Confident	70.5	Confident	117 Å²	117	83.7 Å²	83.7	55%	0.547	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-42.4	177.1	-67.5	-61.3	121.9	0	0	112.2	T237 N243 R244 C245	T237-E241 WeakPolarHBondContact O-CG 3.32Å; T237-E241 PolarHBondContact O-N 3.1Å; E241-N243 VanDerWaalsContact C-N 3.33Å; E241-N243 PolarHBondContact O-N 3.1Å; E241-R244 WeakPolarHBondContact O-CB 3.38Å; E241-R244 PolarHBondContact O-N 2.84Å; E241-C245 PolarHBondContact O-N 2.91Å; E241-C245 PolarHBondContact O-SG 3.46Å; E241-C245 VanDerWaalsContact O-SG 3.39Å
242	L	80.8	Confident	72.4	Confident	20 Å²	20	78.3 Å²	78.3	11%	0.105	42%	0.418	C	S	.	.	H	α-helix	trans	-63.9	-37.4	174.5	-79.7	168.7	0	0	0	112.3	C238 N246 H377 L380 R384	C238-L242 WeakPolarHBondContact O-CB 3.34Å; C238-L242 WeakPolarHBondContact O-CG 3.33Å; C238-L242 PolarHBondContact O-N 2.78Å; L242-N246 PolarHBondContact O-N 3.08Å; L242-N246 VanDerWaalsContact O-N 3.1Å; L242-H377 PolarHBondContact O-NE2 3Å; L242-L380 HydrophobicContact CD2-CB 4.09Å; L242-R384 HydrophobicContact CD1-CB 4.43Å
243	N	81.7	Confident	74.3	Confident	91 Å²	91	77.9 Å²	77.9	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-38.3	173.5	-75.2	-20.5	0	0	0	111.8	V239 Q240 E241 N246 L247	V239-N243 WeakPolarHBondContact O-CB 3.32Å; V239-N243 PolarHBondContact O-N 2.75Å; V239-N243 PolarHBondContact O-ND2 2.77Å; Q240-N243 PolarHBondContact O-N 3.34Å; E241-N243 VanDerWaalsContact C-N 3.33Å; E241-N243 PolarHBondContact O-N 3.1Å; N243-N246 PolarHBondContact O-N 2.99Å; N243-L247 WeakPolarHBondContact O-CG 3.26Å; N243-L247 PolarHBondContact O-N 3.04Å
244	R	78.9	Confident	76.2	Confident	134 Å²	134	76.6 Å²	76.6	51%	0.506	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-49.1	174.6	-178.2	68.5	-140.5	-166.9	3.8	111.2	Q240 E241 N246 L247 D248	Q240-R244 WeakPolarHBondContact O-CB 3.48Å; Q240-R244 PolarHBondContact O-N 2.8Å; E241-R244 WeakPolarHBondContact O-CB 3.38Å; E241-R244 PolarHBondContact O-N 2.84Å; R244-N246 VanDerWaalsContact C-N 3.29Å; R244-N246 PolarHBondContact O-N 2.86Å; R244-L247 WeakPolarHBondContact O-CB 3.32Å; R244-L247 PolarHBondContact O-N 3.11Å; R244-L247 VanDerWaalsContact O-N 3.1Å; R244-D248 IonicContact CZ-OD1 3.8Å; R244-D248 IonicContact CZ-OD2 3.85Å; R244-D248 IonicContact NE-OD1 3.49Å; R244-D248 IonicContact NE-OD2 2.82Å; R244-D248 PolarHBondContact NE-OD2 2.74Å; R244-D248 IonicContact NH2-OD1 3.45Å; R244-D248 PolarHBondContact NH2-OD1 3.38Å; R244-D248 IonicContact NH2-OD2 3.79Å; R244-D248 PolarHBondContact NH2-OD2 3.45Å; R244-D248 PolarHBondContact O-N 2.93Å
245	C	81.8	Confident	77.5	Confident	60 Å²	60	75.7 Å²	75.7	41%	0.405	40%	0.395	S	S	.	.	H	α-helix	trans	-55.6	-41.8	174	-72.7	0	0	0	0	112.3	E241 L247 D248 L249	E241-C245 PolarHBondContact O-N 2.91Å; E241-C245 PolarHBondContact O-SG 3.46Å; E241-C245 VanDerWaalsContact O-SG 3.39Å; C245-L247 PolarHBondContact O-N 3.07Å; C245-D248 PolarHBondContact O-N 3.13Å; C245-L249 WeakPolarHBondContact O-CB 3.36Å; C245-L249 VanDerWaalsContact O-CG 3.22Å; C245-L249 WeakPolarHBondContact O-CG 3.38Å; C245-L249 PolarHBondContact O-N 3.35Å
246	N	86.9	Confident	78.7	Confident	78 Å²	78	73 Å²	73	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-38	176.8	-171.3	28.3	0	0	0	112.9	L242 N243 R244 S250	L242-N246 PolarHBondContact O-N 3.08Å; L242-N246 VanDerWaalsContact O-N 3.1Å; N243-N246 PolarHBondContact O-N 2.99Å; R244-N246 VanDerWaalsContact C-N 3.29Å; R244-N246 PolarHBondContact O-N 2.86Å; N246-S250 WeakPolarHBondContact O-CB 3.44Å; N246-S250 PolarHBondContact O-N 3.35Å; N246-S250 PolarHBondContact O-OG 3.18Å
247	L	81.4	Confident	79.6	Confident	109 Å²	109	73 Å²	73	57%	0.571	38%	0.376	S	S	*	.	H	α-helix	trans	-65	-44.4	174	-69.5	169.9	0	0	0	111.6	N243 R244 C245 S250 E251	N243-L247 WeakPolarHBondContact O-CG 3.26Å; N243-L247 PolarHBondContact O-N 3.04Å; R244-L247 WeakPolarHBondContact O-CB 3.32Å; R244-L247 PolarHBondContact O-N 3.11Å; R244-L247 VanDerWaalsContact O-N 3.1Å; C245-L247 PolarHBondContact O-N 3.07Å; L247-S250 WeakPolarHBondContact O-CB 3.45Å; L247-S250 PolarHBondContact O-N 3.43Å; L247-E251 PolarHBondContact O-N 3.01Å
248	D	79.6	Confident	80.1	Confident	74 Å²	74	76.5 Å²	76.5	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-33.8	179.5	-69.1	-44.7	0	0	0	112.4	R244 C245 E251 L252	R244-D248 IonicContact CZ-OD1 3.8Å; R244-D248 IonicContact CZ-OD2 3.85Å; R244-D248 IonicContact NE-OD1 3.49Å; R244-D248 IonicContact NE-OD2 2.82Å; R244-D248 PolarHBondContact NE-OD2 2.74Å; R244-D248 IonicContact NH2-OD1 3.45Å; R244-D248 PolarHBondContact NH2-OD1 3.38Å; R244-D248 IonicContact NH2-OD2 3.79Å; R244-D248 PolarHBondContact NH2-OD2 3.45Å; R244-D248 PolarHBondContact O-N 2.93Å; C245-D248 PolarHBondContact O-N 3.13Å; D248-E251 PolarHBondContact O-N 2.62Å; D248-L252 WeakPolarHBondContact O-CB 3.02Å; D248-L252 PolarHBondContact O-N 3.42Å
249	L	85.6	Confident	80.2	Confident	16 Å²	16	75.8 Å²	75.8	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-67.4	-35.4	169.6	-70.8	170.6	0	0	0	112.6	C245 N253 L370 L373 K374 H377	C245-L249 WeakPolarHBondContact O-CB 3.36Å; C245-L249 VanDerWaalsContact O-CG 3.22Å; C245-L249 WeakPolarHBondContact O-CG 3.38Å; C245-L249 PolarHBondContact O-N 3.35Å; L249-N253 VanDerWaalsContact O-CB 3.32Å; L249-N253 WeakPolarHBondContact O-CB 3.49Å; L249-N253 PolarHBondContact O-N 2.99Å; L249-L370 HydrophobicContact CB-CD1 4.37Å; L249-L370 HydrophobicContact CD2-CD1 3.99Å; L249-L370 WeakPolarHBondContact O-CD1 3.34Å; L249-L373 HydrophobicContact CD2-CB 3.51Å; L249-L373 HydrophobicContact CD2-CD1 4.18Å; L249-K374 HydrophobicContact CD1-CG 4.36Å; L249-H377 HydrophobicContact CD1-CB 3.9Å
250	S	82.3	Confident	80	Confident	64 Å²	64	77.3 Å²	77.3	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-68	-39.2	175.2	-62.7	0	0	0	0	111.7	N246 L247 N253 R254	N246-S250 WeakPolarHBondContact O-CB 3.44Å; N246-S250 PolarHBondContact O-N 3.35Å; N246-S250 PolarHBondContact O-OG 3.18Å; L247-S250 WeakPolarHBondContact O-CB 3.45Å; L247-S250 PolarHBondContact O-N 3.43Å; S250-N253 PolarHBondContact O-N 3.29Å; S250-R254 WeakPolarHBondContact O-CB 3.35Å; S250-R254 PolarHBondContact O-N 3.16Å
251	E	81.3	Confident	79.6	Confident	77 Å²	77	74.2 Å²	74.2	36%	0.36	37%	0.373	S	S	.	.	H	α-helix	trans	-68	-42.9	173.4	177.5	59.8	-170.8	0	0	111.8	L247 D248 N253 R254 L255	L247-E251 PolarHBondContact O-N 3.01Å; D248-E251 PolarHBondContact O-N 2.62Å; E251-N253 VanDerWaalsContact C-N 3.33Å; E251-N253 PolarHBondContact O-N 2.89Å; E251-R254 WeakPolarHBondContact O-CB 3.4Å; E251-R254 PolarHBondContact O-N 3.26Å; E251-R254 VanDerWaalsContact O-N 3.11Å; E251-R254 IonicContact OE1-CZ 3.5Å; E251-R254 IonicContact OE1-NE 3.82Å; E251-R254 IonicContact OE1-NH2 2.8Å; E251-R254 PolarHBondContact OE1-NH2 3.13Å; E251-R254 IonicContact OE2-CZ 2.71Å; E251-R254 IonicContact OE2-NE 3.14Å; E251-R254 PolarHBondContact OE2-NE 2.82Å; E251-R254 IonicContact OE2-NH2 2.87Å; E251-R254 PolarHBondContact OE2-NH2 2.87Å; E251-L255 HydrophobicContact CG-CD1 4.2Å; E251-L255 WeakPolarHBondContact O-CG 3.35Å; E251-L255 PolarHBondContact O-N 2.8Å
252	L	79.8	Confident	79.1	Confident	54 Å²	54	73.6 Å²	73.6	28%	0.283	37%	0.371	S	S	.	.	H	α-helix	trans	-57.6	-45.3	173	177.7	59.2	0	0	0	111.4	D248 R254 L255 I256 L370 L373	D248-L252 WeakPolarHBondContact O-CB 3.02Å; D248-L252 PolarHBondContact O-N 3.42Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 2.77Å; L252-L255 PolarHBondContact O-N 2.92Å; L252-I256 HydrophobicContact CD1-CD1 4Å; L252-I256 HydrophobicContact CD1-CG1 4.36Å; L252-I256 HydrophobicContact CG-CD1 3.93Å; L252-I256 WeakPolarHBondContact O-CD1 3.5Å; L252-I256 VanDerWaalsContact O-CG1 3.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 2.78Å; L252-L370 HydrophobicContact CB-CD1 4.25Å; L252-L370 HydrophobicContact CD2-CB 4.22Å; L252-L370 HydrophobicContact CD2-CD1 3.91Å; L252-L370 HydrophobicContact CG-CD1 4.05Å; L252-L373 HydrophobicContact CD2-CD1 4.42Å
253	N	86.1	Confident	77.8	Confident	56 Å²	56	78 Å²	78	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-58.7	-43.1	173.9	-174.4	92.2	0	0	0	111.9	L249 S250 E251 I256 L257 L370	L249-N253 VanDerWaalsContact O-CB 3.32Å; L249-N253 WeakPolarHBondContact O-CB 3.49Å; L249-N253 PolarHBondContact O-N 2.99Å; S250-N253 PolarHBondContact O-N 3.29Å; E251-N253 VanDerWaalsContact C-N 3.33Å; E251-N253 PolarHBondContact O-N 2.89Å; N253-I256 PolarHBondContact O-N 2.81Å; N253-L257 WeakPolarHBondContact ND2-CD1 3.34Å; N253-L257 WeakPolarHBondContact O-CG 3.32Å; N253-L257 PolarHBondContact O-N 3.33Å; N253-L370 HydrophobicContact CB-CD1 4.3Å; N253-L370 HydrophobicContact CB-CD2 3.72Å; N253-L370 WeakPolarHBondContact OD1-CD2 3.49Å
254	R	84.4	Confident	76.4	Confident	120 Å²	120	78.7 Å²	78.7	45%	0.453	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-37.3	176.6	-165.7	-169.5	69	80.6	2.3	112.6	S250 E251 L252 R258	S250-R254 WeakPolarHBondContact O-CB 3.35Å; S250-R254 PolarHBondContact O-N 3.16Å; E251-R254 WeakPolarHBondContact O-CB 3.4Å; E251-R254 PolarHBondContact O-N 3.26Å; E251-R254 VanDerWaalsContact O-N 3.11Å; E251-R254 IonicContact OE1-CZ 3.5Å; E251-R254 IonicContact OE1-NE 3.82Å; E251-R254 IonicContact OE1-NH2 2.8Å; E251-R254 PolarHBondContact OE1-NH2 3.13Å; E251-R254 IonicContact OE2-CZ 2.71Å; E251-R254 IonicContact OE2-NE 3.14Å; E251-R254 PolarHBondContact OE2-NE 2.82Å; E251-R254 IonicContact OE2-NH2 2.87Å; E251-R254 PolarHBondContact OE2-NH2 2.87Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 2.77Å; R254-R258 WeakPolarHBondContact O-CB 3.36Å; R254-R258 PolarHBondContact O-N 2.68Å
255	L	79.8	Confident	75.1	Confident	79 Å²	79	76.1 Å²	76.1	41%	0.414	41%	0.414	S	S	.	.	H	α-helix	trans	-69.6	-39.9	176.5	-69.5	171.2	0	0	0	111.9	E251 L252 R258 L259	E251-L255 HydrophobicContact CG-CD1 4.2Å; E251-L255 WeakPolarHBondContact O-CG 3.35Å; E251-L255 PolarHBondContact O-N 2.8Å; L252-L255 PolarHBondContact O-N 2.92Å; L255-R258 WeakPolarHBondContact O-CB 3.34Å; L255-R258 PolarHBondContact O-N 2.92Å; L255-L259 PolarHBondContact O-N 3.44Å
256	I	81.6	Confident	73.5	Confident	9 Å²	9	81 Å²	81	5%	0.046	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-48.5	174.2	-69.1	162.1	0	0	0	110.7	L252 N253 R258 L259 Q260 S366 L370	L252-I256 HydrophobicContact CD1-CD1 4Å; L252-I256 HydrophobicContact CD1-CG1 4.36Å; L252-I256 HydrophobicContact CG-CD1 3.93Å; L252-I256 WeakPolarHBondContact O-CD1 3.5Å; L252-I256 VanDerWaalsContact O-CG1 3.3Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 2.78Å; N253-I256 PolarHBondContact O-N 2.81Å; I256-R258 PolarHBondContact O-N 2.88Å; I256-L259 PolarHBondContact O-N 3Å; I256-L259 VanDerWaalsContact O-N 3.08Å; I256-Q260 WeakPolarHBondContact O-CG 3.39Å; I256-Q260 PolarHBondContact O-N 2.98Å; I256-S366 VanDerWaalsContact CD1-O 3.32Å; I256-S366 WeakPolarHBondContact CD1-O 3.48Å; I256-L370 HydrophobicContact CD1-CB 3.93Å; I256-L370 HydrophobicContact CD1-CD2 3.99Å
257	L	78.3	Confident	71.6	Confident	96 Å²	96	84.8 Å²	84.8	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-58.2	-35.4	175	-72.8	169.1	0	0	0	112.2	N253 A261	N253-L257 WeakPolarHBondContact ND2-CD1 3.34Å; N253-L257 WeakPolarHBondContact O-CG 3.32Å; N253-L257 PolarHBondContact O-N 3.33Å; L257-A261 VanDerWaalsContact O-CB 3.28Å; L257-A261 WeakPolarHBondContact O-CB 3.4Å; L257-A261 PolarHBondContact O-N 2.94Å
258	R	75	Confident	70.2	Confident	134 Å²	134	83.1 Å²	83.1	51%	0.506	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-38	175	-168.1	-178.9	-172.8	-168.4	2.5	112.7	R254 L255 I256 A261 M262	R254-R258 WeakPolarHBondContact O-CB 3.36Å; R254-R258 PolarHBondContact O-N 2.68Å; L255-R258 WeakPolarHBondContact O-CB 3.34Å; L255-R258 PolarHBondContact O-N 2.92Å; I256-R258 PolarHBondContact O-N 2.88Å; R258-A261 PolarHBondContact O-N 3.27Å; R258-M262 WeakPolarHBondContact O-CG 3.43Å; R258-M262 PolarHBondContact O-N 3.24Å
259	L	72.3	Confident	69.1	Low	47 Å²	47	83.3 Å²	83.3	25%	0.246	44%	0.444	C	S	.	.	H	α-helix	trans	-70.4	-32.7	177.1	-171.1	66.9	0	0	0	112.1	L255 I256 M262 Q359 I362	L255-L259 PolarHBondContact O-N 3.44Å; I256-L259 PolarHBondContact O-N 3Å; I256-L259 VanDerWaalsContact O-N 3.08Å; L259-M262 HydrophobicContact CD1-CE 4.04Å; L259-M262 HydrophobicContact CD1-SD 4.13Å; L259-Q359 PolarHBondContact O-NE2 3.19Å; L259-I362 HydrophobicContact CD2-CG2 3.7Å
260	Q	73.5	Confident	67.3	Low	72 Å²	72	85.1 Å²	85.1	34%	0.336	45%	0.453	S	S	.	.	H	α-helix	trans	-70.8	-44	170	-69.5	166.5	-16.9	0	0	111.1	I256 M262 E263 C363	I256-Q260 WeakPolarHBondContact O-CG 3.39Å; I256-Q260 PolarHBondContact O-N 2.98Å; Q260-M262 PolarHBondContact O-N 2.88Å; Q260-M262 VanDerWaalsContact O-N 3.14Å; Q260-E263 VanDerWaalsContact O-CB 3.22Å; Q260-E263 WeakPolarHBondContact O-CB 3.4Å; Q260-E263 PolarHBondContact O-N 2.89Å; Q260-C363 HydrophobicContact CG-CB 4.18Å
261	A	67.1	Low	66.1	Low	52 Å²	52	83.7 Å²	83.7	43%	0.43	45%	0.448	S	S	.	.	H	α-helix	trans	-60.5	-24.7	177.8	0	0	0	0	0	113.8	L257 R258 E263 V264	L257-A261 VanDerWaalsContact O-CB 3.28Å; L257-A261 WeakPolarHBondContact O-CB 3.4Å; L257-A261 PolarHBondContact O-N 2.94Å; R258-A261 PolarHBondContact O-N 3.27Å; A261-E263 PolarHBondContact O-N 3.03Å; A261-V264 PolarHBondContact O-N 2.57Å
262	M	62.3	Low	64.7	Low	103 Å²	103	82.2 Å²	82.2	51%	0.507	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.8	172.3	-76.1	167	42.4	0	0	114.3	R258 L259 Q260 V264	R258-M262 WeakPolarHBondContact O-CG 3.43Å; R258-M262 PolarHBondContact O-N 3.24Å; L259-M262 HydrophobicContact CD1-CE 4.04Å; L259-M262 HydrophobicContact CD1-SD 4.13Å; Q260-M262 PolarHBondContact O-N 2.88Å; Q260-M262 VanDerWaalsContact O-N 3.14Å; M262-V264 VanDerWaalsContact C-N 3.32Å
263	E	54.9	Low	63.5	Low	112 Å²	112	79.8 Å²	79.8	52%	0.523	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.7	175.3	-168	164.1	-147.4	0	0	112.5	Q260 A261 Q360	Q260-E263 VanDerWaalsContact O-CB 3.22Å; Q260-E263 WeakPolarHBondContact O-CB 3.4Å; Q260-E263 PolarHBondContact O-N 2.89Å; A261-E263 PolarHBondContact O-N 3.03Å; E263-Q360 PolarHBondContact OE1-NE2 2.97Å
264	V	51.5	Low	61.8	Low	107 Å²	107	82.6 Å²	82.6	65%	0.648	44%	0.442	S	S	*	.	S	Bend	trans	-101.8	119.2	171.6	-176.1	0	0	0	0	108.8	A261 M262 Q266	A261-V264 PolarHBondContact O-N 2.57Å; M262-V264 VanDerWaalsContact C-N 3.32Å; V264-Q266 PolarHBondContact O-N 3.01Å
265	G	52.6	Low	60.3	Low	80 Å²	80	83.8 Å²	83.8	83%	0.825	45%	0.446	S	S	*	.			trans	-66.5	82.4	-174.2	0	0	0	0	0	114.5
266	Q	46.6	Very low	59	Low	161 Å²	161	81.5 Å²	81.5	75%	0.752	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-83.3	130.8	169.6	-72.4	-161.8	-16.4	0	0	111.7	V264	V264-Q266 PolarHBondContact O-N 3.01Å
267	N	48.9	Very low	57.8	Low	158 Å²	158	82.8 Å²	82.8	85%	0.845	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-73.2	125.8	168.9	-70.2	-29.3	0	0	0	110	T269	N267-T269 PolarHBondContact O-N 3.45Å
268	F	50.6	Low	56.4	Low	74 Å²	74	81.9 Å²	81.9	33%	0.325	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-60	130.1	175.4	-66.5	-88.7	0	0	0	111.4	L273 Y342 P347	F268-L273 HydrophobicContact CB-CD2 4.2Å; F268-L273 HydrophobicContact CB-CG 4.13Å; F268-Y342 PolarHBondContact O-OH 3.35Å; F268-P347 HydrophobicContact CE2-CG 3.99Å; F268-P347 HydrophobicContact CZ-CG 4.06Å
269	T	57	Low	55.1	Low	79 Å²	79	80.4 Å²	80.4	49%	0.485	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-73.6	154.4	174.2	82.2	0	0	0	0	110.6	N267 G271 D272 L273	N267-T269 PolarHBondContact O-N 3.45Å; T269-G271 PolarHBondContact O-N 3.34Å; T269-G271 VanDerWaalsContact O-N 3.16Å; T269-G271 PolarHBondContact OG1-N 2.87Å; T269-D272 WeakPolarHBondContact CB-OD2 3.37Å; T269-D272 PolarHBondContact O-N 2.9Å; T269-D272 PolarHBondContact OG1-N 3.25Å; T269-D272 PolarHBondContact OG1-OD2 2.87Å; T269-L273 PolarHBondContact O-N 3.25Å; T269-L273 VanDerWaalsContact O-N 3.13Å
270	N	48	Very low	53.8	Low	54 Å²	54	83.9 Å²	83.9	29%	0.289	46%	0.463	S	S	.	.	H	α-helix	trans	-57	-30.1	175.6	-75.8	-62.8	0	0	0	112.6	Q274 I337	N270-Q274 WeakPolarHBondContact O-CG 3.35Å; N270-Q274 PolarHBondContact O-N 3.35Å; N270-I337 HydrophobicContact CB-CD1 4.44Å; N270-I337 WeakPolarHBondContact OD1-CG1 3.44Å
271	G	56.5	Low	52.3	Low	33 Å²	33	87.7 Å²	87.7	34%	0.34	49%	0.486	S	S	.	.	H	α-helix	trans	-71.3	-33.9	176.7	0	0	0	0	0	113.5	T269 R275	T269-G271 PolarHBondContact O-N 3.34Å; T269-G271 VanDerWaalsContact O-N 3.16Å; T269-G271 PolarHBondContact OG1-N 2.87Å; G271-R275 WeakPolarHBondContact O-CB 3.42Å; G271-R275 PolarHBondContact O-N 3.31Å; G271-R275 VanDerWaalsContact O-N 3.11Å
272	D	52.6	Low	51.2	Low	47 Å²	47	89.2 Å²	89.2	25%	0.251	49%	0.487	S	S	.	.	H	α-helix	trans	-72.8	-38.6	175.1	-59.4	-58.6	0	0	0	111.4	T269 R275 I276	T269-D272 WeakPolarHBondContact CB-OD2 3.37Å; T269-D272 PolarHBondContact O-N 2.9Å; T269-D272 PolarHBondContact OG1-N 3.25Å; T269-D272 PolarHBondContact OG1-OD2 2.87Å; D272-R275 PolarHBondContact O-N 2.88Å; D272-R275 IonicContact OD1-CZ 3.25Å; D272-R275 IonicContact OD1-NH1 2.69Å; D272-R275 PolarHBondContact OD1-NH1 2.8Å; D272-R275 IonicContact OD1-NH2 3.43Å; D272-R275 PolarHBondContact OD1-NH2 3.09Å; D272-I276 VanDerWaalsContact O-CG1 3.29Å; D272-I276 WeakPolarHBondContact O-CG1 3.47Å; D272-I276 PolarHBondContact O-N 2.83Å
273	L	53.7	Low	50.4	Low	3 Å²	3	89.5 Å²	89.5	2%	0.016	50%	0.499	C	S	.	.	H	α-helix	trans	-63.2	-43.8	173.9	-68.9	173.5	0	0	0	111.9	F268 T269 R275 I276 I277 I337 Y342 V345	F268-L273 HydrophobicContact CB-CD2 4.2Å; F268-L273 HydrophobicContact CB-CG 4.13Å; T269-L273 PolarHBondContact O-N 3.25Å; T269-L273 VanDerWaalsContact O-N 3.13Å; L273-R275 VanDerWaalsContact C-N 3.31Å; L273-R275 PolarHBondContact O-N 3.26Å; L273-I276 PolarHBondContact O-N 2.96Å; L273-I277 WeakPolarHBondContact O-CD1 3.15Å; L273-I277 VanDerWaalsContact O-CG1 3.31Å; L273-I277 WeakPolarHBondContact O-CG1 3.2Å; L273-I277 PolarHBondContact O-N 3.02Å; L273-I337 HydrophobicContact CB-CD1 3.85Å; L273-I337 HydrophobicContact CD1-CD1 4.19Å; L273-Y342 HydrophobicContact CD1-CD1 4.23Å; L273-Y342 HydrophobicContact CD1-CD2 4.43Å; L273-Y342 HydrophobicContact CD1-CE1 3.62Å; L273-Y342 HydrophobicContact CD1-CE2 3.85Å; L273-Y342 VanDerWaalsContact CD1-CZ 3.4Å; L273-V345 HydrophobicContact CD2-CB 4.16Å; L273-V345 HydrophobicContact CD2-CG1 3.56Å
274	Q	51.2	Low	49.7	Very low	114 Å²	114	87.5 Å²	87.5	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-59.2	-41	172.3	-78.5	-177.1	-24.4	0	0	112.2	N270 I277 S278	N270-Q274 WeakPolarHBondContact O-CG 3.35Å; N270-Q274 PolarHBondContact O-N 3.35Å; Q274-I277 PolarHBondContact O-N 3.19Å; Q274-S278 PolarHBondContact O-N 2.94Å; Q274-S278 PolarHBondContact O-OG 3.22Å
275	R	52.6	Low	49.2	Very low	145 Å²	145	90 Å²	90	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-34.3	177.3	-157.6	-173.1	-53.7	114	7	112.7	G271 D272 L273 S278 T279	G271-R275 WeakPolarHBondContact O-CB 3.42Å; G271-R275 PolarHBondContact O-N 3.31Å; G271-R275 VanDerWaalsContact O-N 3.11Å; D272-R275 PolarHBondContact O-N 2.88Å; D272-R275 IonicContact OD1-CZ 3.25Å; D272-R275 IonicContact OD1-NH1 2.69Å; D272-R275 PolarHBondContact OD1-NH1 2.8Å; D272-R275 IonicContact OD1-NH2 3.43Å; D272-R275 PolarHBondContact OD1-NH2 3.09Å; L273-R275 VanDerWaalsContact C-N 3.31Å; L273-R275 PolarHBondContact O-N 3.26Å; R275-S278 PolarHBondContact O-OG 2.92Å; R275-T279 WeakPolarHBondContact O-CB 3.13Å; R275-T279 WeakPolarHBondContact O-CG2 3.29Å; R275-T279 PolarHBondContact O-N 3.11Å; R275-T279 VanDerWaalsContact O-N 3.09Å; R275-T279 PolarHBondContact O-OG1 3.36Å
276	I	53.3	Low	48.4	Very low	31 Å²	31	93.6 Å²	93.6	16%	0.159	49%	0.489	C	S	.	.	H	α-helix	trans	-69.5	-46.8	175.2	-70.2	162.1	0	0	0	110.5	D272 L273 S278 T279 Q280 V345	D272-I276 VanDerWaalsContact O-CG1 3.29Å; D272-I276 WeakPolarHBondContact O-CG1 3.47Å; D272-I276 PolarHBondContact O-N 2.83Å; L273-I276 PolarHBondContact O-N 2.96Å; I276-S278 VanDerWaalsContact C-N 3.34Å; I276-S278 PolarHBondContact O-N 3.12Å; I276-T279 PolarHBondContact O-N 3.13Å; I276-T279 PolarHBondContact O-OG1 3.16Å; I276-Q280 WeakPolarHBondContact O-CB 3.48Å; I276-Q280 WeakPolarHBondContact O-CG 3.37Å; I276-Q280 PolarHBondContact O-N 2.97Å; I276-V345 HydrophobicContact CG2-CG1 4.47Å
277	I	55.1	Low	47.9	Very low	36 Å²	36	91.2 Å²	91.2	19%	0.185	49%	0.487	C	S	.	.	H	α-helix	trans	-61.3	-42.1	179.3	-67.4	162.1	0	0	0	111.1	L273 Q274 N281 L282 L284 V341	L273-I277 WeakPolarHBondContact O-CD1 3.15Å; L273-I277 VanDerWaalsContact O-CG1 3.31Å; L273-I277 WeakPolarHBondContact O-CG1 3.2Å; L273-I277 PolarHBondContact O-N 3.02Å; Q274-I277 PolarHBondContact O-N 3.19Å; I277-N281 PolarHBondContact O-N 3.28Å; I277-N281 VanDerWaalsContact O-N 3.16Å; I277-L282 PolarHBondContact O-N 3.1Å; I277-L284 HydrophobicContact CD1-CD1 4.21Å; I277-V341 HydrophobicContact CD1-CG1 4.38Å
278	S	49.8	Very low	47.3	Very low	77 Å²	77	92.7 Å²	92.7	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-73.3	-34.9	179.1	65.5	0	0	0	0	114	Q274 R275 I276 Q280	Q274-S278 PolarHBondContact O-N 2.94Å; Q274-S278 PolarHBondContact O-OG 3.22Å; R275-S278 PolarHBondContact O-OG 2.92Å; I276-S278 VanDerWaalsContact C-N 3.34Å; I276-S278 PolarHBondContact O-N 3.12Å; S278-Q280 VanDerWaalsContact C-N 3.34Å
279	T	46.8	Very low	46.4	Very low	103 Å²	103	99.3 Å²	99.3	63%	0.632	52%	0.515	S	S	*	.	H	α-helix	trans	-77.1	-18.1	176.9	50.3	0	0	0	0	113.8	R275 I276	R275-T279 WeakPolarHBondContact O-CB 3.13Å; R275-T279 WeakPolarHBondContact O-CG2 3.29Å; R275-T279 PolarHBondContact O-N 3.11Å; R275-T279 VanDerWaalsContact O-N 3.09Å; R275-T279 PolarHBondContact O-OG1 3.36Å; I276-T279 PolarHBondContact O-N 3.13Å; I276-T279 PolarHBondContact O-OG1 3.16Å
280	Q	45.1	Very low	45.1	Very low	121 Å²	121	102.1 Å²	102.1	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-108	0.8	179.6	-62.6	-175.1	-6.4	0	0	114.2	I276 S278 L282	I276-Q280 WeakPolarHBondContact O-CB 3.48Å; I276-Q280 WeakPolarHBondContact O-CG 3.37Å; I276-Q280 PolarHBondContact O-N 2.97Å; S278-Q280 VanDerWaalsContact C-N 3.34Å; Q280-L282 HydrophobicContact CB-CD1 4Å; Q280-L282 HydrophobicContact CB-CG 3.85Å; Q280-L282 PolarHBondContact O-N 2.97Å
281	N	41.7	Very low	44.3	Very low	151 Å²	151	109.4 Å²	109.4	81%	0.807	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.9	38.5	-179.2	-82.8	-43.3	0	0	0	114.2	I277 S283	I277-N281 PolarHBondContact O-N 3.28Å; I277-N281 VanDerWaalsContact O-N 3.16Å; N281-S283 PolarHBondContact O-N 3.41Å
282	L	43.9	Very low	43.1	Very low	85 Å²	85	113.9 Å²	113.9	45%	0.445	59%	0.587	S	S	.	*			trans	-81	114	-175.6	-68	173	0	0	0	112.2	I277 Q280	I277-L282 PolarHBondContact O-N 3.1Å; Q280-L282 HydrophobicContact CB-CD1 4Å; Q280-L282 HydrophobicContact CB-CG 3.85Å; Q280-L282 PolarHBondContact O-N 2.97Å
283	S	45.8	Very low	41.9	Very low	109 Å²	109	114.7 Å²	114.7	76%	0.762	61%	0.606	S	S	*	*			trans	-80	117.7	172.6	-174.2	0	0	0	0	111.6	N281 E285	N281-S283 PolarHBondContact O-N 3.41Å; S283-E285 PolarHBondContact O-N 2.74Å
284	L	40.1	Very low	40.8	Very low	70 Å²	70	124.6 Å²	124.6	37%	0.366	65%	0.649	S	S	.	*			trans	-87	72.5	-178	-68.9	173.8	0	0	0	112.6	I277 V341	I277-L284 HydrophobicContact CD1-CD1 4.21Å; L284-V341 HydrophobicContact CD1-CG1 4.25Å; L284-V341 HydrophobicContact CD1-CG2 4.06Å; L284-V341 HydrophobicContact CD2-CG1 4.28Å; L284-V341 HydrophobicContact CD2-CG2 4.34Å
285	E	41.3	Very low	39.7	Very low	158 Å²	158	126.9 Å²	126.9	74%	0.738	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-69.3	140.7	170.1	-74.5	-143.9	138.7	0	0	112.7	S283	S283-E285 PolarHBondContact O-N 2.74Å
286	K	36.5	Very low	38.5	Very low	156 Å²	156	130.6 Å²	130.6	68%	0.678	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-82.7	124.1	173.5	-70.8	180	179.2	176.1	0	110.4	K288	K286-K288 PolarHBondContact O-N 3.23Å
287	P	35.1	Very low	37.1	Very low	111 Å²	111	131.5 Å²	131.5	72%	0.721	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.9	-177.9	25.1	-33.6	0	0	0	112
288	K	35.7	Very low	35.9	Very low	190 Å²	190	137.6 Å²	137.6	83%	0.826	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-76	127.4	177.2	-69.8	171.2	-178.5	162.9	0	110.3	K286 T290	K286-K288 PolarHBondContact O-N 3.23Å; K288-T290 PolarHBondContact O-N 3.07Å
289	K	33.2	Very low	34.8	Very low	212 Å²	212	139.9 Å²	139.9	92%	0.922	74%	0.738	S	S	*	*			trans	-65.7	110.9	179.8	-65.8	-178.3	179.2	-179.9	0	111.5
290	T	29.6	Very low	34	Very low	138 Å²	138	146 Å²	146	85%	0.847	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-78.4	147	167.6	42.1	0	0	0	0	110.7	K288	K288-T290 PolarHBondContact O-N 3.07Å
291	K	31.2	Very low	33.2	Very low	208 Å²	208	146 Å²	146	90%	0.904	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-80.3	146.2	-179.1	-73.9	-177.6	176.6	178.3	0	111.5
292	S	31.4	Very low	32.4	Very low	126 Å²	126	146.4 Å²	146.4	88%	0.881	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.5	133.9	-179.4	179.9	0	0	0	0	113.2
293	G	27.5	Very low	31.6	Very low	64 Å²	64	148.4 Å²	148.4	66%	0.66	78%	0.78	S	S	*	*			trans	-126.8	132.4	167.7	0	0	0	0	0	109.4
294	K	29.9	Very low	30.8	Very low	211 Å²	211	153.9 Å²	153.9	92%	0.917	78%	0.784	S	S	*	*			trans	-71.4	136.7	-167.8	-63.3	175	-178.9	176.3	0	112.4
295	I	28.5	Very low	30.2	Very low	163 Å²	163	156.2 Å²	156.2	84%	0.836	80%	0.801	S	S	*	*			trans	-89	129.9	166.8	-61.9	172.8	0	0	0	108.8
296	W	26.2	Very low	29.7	Very low	223 Å²	223	156.4 Å²	156.4	85%	0.845	80%	0.801	S	S	*	*			trans	-114.2	119.4	157.1	-171.5	-73.9	0	0	0	107	H298	W296-H298 AromaticContact CD1-NE2 3.93Å; W296-H298 AromaticContact NE1-CD2 3.83Å; W296-H298 AromaticContact NE1-CE1 3.77Å; W296-H298 AromaticContact NE1-NE2 3.18Å; W296-H298 PolarHBondContact NE1-NE2 3.36Å; W296-H298 VanDerWaalsContact NE1-NE2 3.18Å
297	G	25.3	Very low	29.2	Very low	49 Å²	49	152.6 Å²	152.6	51%	0.505	80%	0.799	S	S	.	*			trans	-95.3	173.8	-178.3	0	0	0	0	0	112.5
298	H	29.1	Very low	28.8	Very low	165 Å²	165	156.2 Å²	156.2	76%	0.764	81%	0.812	S	S	*	*			trans	-153.5	111	150.4	-88.1	-52.2	0	0	0	110.4	W296	W296-H298 AromaticContact CD1-NE2 3.93Å; W296-H298 AromaticContact NE1-CD2 3.83Å; W296-H298 AromaticContact NE1-CE1 3.77Å; W296-H298 AromaticContact NE1-NE2 3.18Å; W296-H298 PolarHBondContact NE1-NE2 3.36Å; W296-H298 VanDerWaalsContact NE1-NE2 3.18Å
299	S	26.6	Very low	28.4	Very low	124 Å²	124	151 Å²	151	87%	0.867	81%	0.812	S	S	*	*			trans	-99.1	133.5	167.4	-62.2	0	0	0	0	110.2
300	R	29.6	Very low	28.1	Very low	233 Å²	233	149.8 Å²	149.8	88%	0.879	81%	0.811	S	S	*	*			trans	-128.3	151	154.9	-57.8	-176.5	-177.9	-117.8	2.5	105
301	T	28.8	Very low	28.6	Very low	119 Å²	119	148.4 Å²	148.4	73%	0.73	81%	0.805	S	S	*	*			cis	-152.3	144.2	30.9	-51.7	0	0	0	0	111.3
302	L	25.4	Very low	28.4	Very low	161 Å²	161	145.3 Å²	145.3	84%	0.843	80%	0.803	S	S	*	*			trans	13.7	131.8	156.5	-52.5	170	0	0	0	120.4
303	S	27.6	Very low	28.2	Very low	126 Å²	126	150.5 Å²	150.5	88%	0.881	80%	0.804	S	S	*	*				-134.5	167.1	114.7	-165.4	0	0	0	0	109.7
304	R	27.7	Very low	28	Very low	224 Å²	224	150.9 Å²	150.9	85%	0.845	81%	0.808	S	S	*	*			trans	-135	137.9	-168.8	163.7	-175.5	173.8	157.9	-1	109.8
305	V	28.9	Very low	28.1	Very low	120 Å²	120	148.9 Å²	148.9	73%	0.727	81%	0.805	S	S	*	*			trans	-158.9	165.6	150.2	129.6	0	0	0	0	108.9
306	E	29.1	Very low	28	Very low	161 Å²	161	145.9 Å²	145.9	75%	0.752	80%	0.799	S	S	*	*			trans	-45.4	175.3	-175.5	-70.8	91	-135.7	0	0	118.2
307	A	26.3	Very low	28	Very low	77 Å²	77	144.8 Å²	144.8	64%	0.636	80%	0.8	S	S	*	*			cis	167.2	151.6	-35.5	0	0	0	0	0	107.9
308	L	27.5	Very low	28.1	Very low	187 Å²	187	146.7 Å²	146.7	98%	0.979	81%	0.805	S	S	*	*			trans	65	142.3	168.9	-60.1	163.1	0	0	0	117.4
309	G	26.2	Very low	28	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	81%	0.811	S	S	*	*			trans	139.9	104.7	173.5	0	0	0	0	0	113.5
310	M	28.5	Very low	28	Very low	186 Å²	186	146.5 Å²	146.5	92%	0.916	81%	0.808	S	S	*	*			trans	-98.5	160.8	179.2	-83.2	-72.1	-78	0	0	112.5
311	P	40	Very low	27.8	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	80%	0.803	S	S	*	*			trans	-103.2	154.1	-157.2	38.6	-36.4	0	0	0	116.4
312	V	27.2	Very low	27.8	Very low	144 Å²	144	139.5 Å²	139.5	87%	0.873	80%	0.8	S	S	*	*			trans	-149.1	146.3	166.5	-176.1	0	0	0	0	107.6
313	R	25.7	Very low	28	Very low	235 Å²	235	140.4 Å²	140.4	89%	0.887	80%	0.799	S	S	*	*			cis	163	117.7	-28.9	178.3	-172.9	-166.5	-168.2	6.4	106.1
314	G	24.6	Very low	28.1	Very low	72 Å²	72	142.5 Å²	142.5	74%	0.742	80%	0.8	S	S	*	*			trans	84.8	162.5	175.9	0	0	0	0	0	114.6
315	I	30.7	Very low	28.1	Very low	169 Å²	169	137.6 Å²	137.6	87%	0.867	80%	0.8	S	S	*	*			cis	-139.7	162.4	16.1	-83.6	167	0	0	0	110.9
316	S	26.2	Very low	28	Very low	100 Å²	100	137.4 Å²	137.4	70%	0.699	80%	0.804	S	S	*	*			trans	-83.1	152.7	-178.9	51	0	0	0	0	115.4
317	K	28	Very low	27.9	Very low	200 Å²	200	134.1 Å²	134.1	87%	0.87	80%	0.799	S	S	*	*			trans	166.9	156.5	143.8	-92.6	160.2	-177.4	-178.3	0	110.2
318	S	27.1	Very low	27.9	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	80%	0.798	S	S	*	*			cis	176.3	122.4	-41.8	48.4	0	0	0	0	109.3
319	L	26.4	Very low	27.9	Very low	167 Å²	167	134.3 Å²	134.3	87%	0.874	79%	0.791	S	S	*	*			trans	63.1	158.4	161.9	-50.4	173.8	0	0	0	114.9
320	S	25.6	Very low	28	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	80%	0.798	S	S	*	*			cis	-145.2	176.8	26.6	-64.6	0	0	0	0	113
321	S	26.9	Very low	28	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	78%	0.783	S	S	*	*			trans	-131	-168.1	170.9	68	0	0	0	0	110.1
322	S	28.5	Very low	27.8	Very low	94 Å²	94	135.9 Å²	135.9	66%	0.657	80%	0.797	S	S	*	*			trans	74.8	153.2	-175.7	81.7	0	0	0	0	115.1
323	H	29.4	Very low	27.9	Very low	180 Å²	180	134 Å²	134	83%	0.833	79%	0.79	S	S	*	*			cis	-129.6	171.1	14.9	-92.3	-86.3	0	0	0	115.2
324	L	30.5	Very low	28.3	Very low	170 Å²	170	127.3 Å²	127.3	89%	0.89	78%	0.776	S	S	*	*			trans	-116.9	143.2	166.5	-86.2	163.9	0	0	0	110
325	S	26.5	Very low	29	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	78%	0.776	S	S	*	*			trans	-158.5	152.6	160.8	11	0	0	0	0	111.9
326	S	26.6	Very low	29.9	Very low	116 Å²	116	126.2 Å²	126.2	81%	0.811	77%	0.768	S	S	*	*			trans	-97.9	-179.5	172.2	60.9	0	0	0	0	110.5
327	S	27	Very low	31	Very low	92 Å²	92	122.7 Å²	122.7	64%	0.643	74%	0.742	S	S	*	*			cis	-165.7	162.4	21.1	47.2	0	0	0	0	112.6
328	S	27.5	Very low	32.2	Very low	89 Å²	89	116.3 Å²	116.3	62%	0.622	72%	0.721	S	S	*	*			trans	53.6	138.6	140.7	62.4	0	0	0	0	121
329	H	27.8	Very low	33	Very low	179 Å²	179	118.9 Å²	118.9	83%	0.829	73%	0.727	S	S	*	*			cis	-155.5	179	19.1	-96.6	-54.9	0	0	0	111.6
330	L	28.1	Very low	34.1	Very low	184 Å²	184	114.6 Å²	114.6	96%	0.963	70%	0.7	S	S	*	*			trans	73.1	117.4	166.5	-70	166.3	0	0	0	118
331	G	27.6	Very low	35.3	Very low	60 Å²	60	109 Å²	109	62%	0.619	66%	0.661	S	S	*	*			trans	144.8	94	174.4	0	0	0	0	0	111.9	S333	G331-S333 PolarHBondContact O-N 3.14Å; G331-S333 PolarHBondContact O-OG 2.65Å
332	V	36	Very low	36.3	Very low	164 Å²	164	107.7 Å²	107.7	99%	0.994	64%	0.64	S	S	*	*			trans	-63.4	108.2	176.4	177.7	0	0	0	0	108.6
333	S	29.6	Very low	37.2	Very low	104 Å²	104	107.6 Å²	107.6	73%	0.727	64%	0.639	S	S	*	*			trans	-117.9	135	-174	26.1	0	0	0	0	110	G331	G331-S333 PolarHBondContact O-N 3.14Å; G331-S333 PolarHBondContact O-OG 2.65Å
334	V	33.5	Very low	38.1	Very low	96 Å²	96	104.8 Å²	104.8	58%	0.582	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-56.7	138.7	-179.3	-178.5	0	0	0	0	109.5	S336	V334-S336 PolarHBondContact O-N 3.09Å; V334-S336 VanDerWaalsContact O-N 3.12Å
335	P	40.3	Very low	38.7	Very low	116 Å²	116	98.6 Å²	98.6	75%	0.753	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-54	121.4	175.4	22.2	-34.2	0	0	0	110.3	I337	P335-I337 PolarHBondContact O-N 3.34Å
336	S	48.5	Very low	39.3	Very low	101 Å²	101	95.6 Å²	95.6	71%	0.706	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-64.4	133.9	-174.6	45	0	0	0	0	111.3	V334	V334-S336 PolarHBondContact O-N 3.09Å; V334-S336 VanDerWaalsContact O-N 3.12Å
337	I	50.6	Low	40.3	Very low	27 Å²	27	93.3 Å²	93.3	14%	0.138	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-66.7	128.2	174.5	-54.6	176.6	0	0	0	107.6	N270 L273 P335 V341	N270-I337 HydrophobicContact CB-CD1 4.44Å; N270-I337 WeakPolarHBondContact OD1-CG1 3.44Å; L273-I337 HydrophobicContact CB-CD1 3.85Å; L273-I337 HydrophobicContact CD1-CD1 4.19Å; P335-I337 PolarHBondContact O-N 3.34Å; I337-V341 HydrophobicContact CG2-CB 3.6Å; I337-V341 HydrophobicContact CG2-CG1 3.79Å; I337-V341 HydrophobicContact CG2-CG2 3.77Å
338	P	51.8	Low	41.3	Very low	66 Å²	66	94.6 Å²	94.6	43%	0.429	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-59	144.7	-175.6	-27.1	35.4	0	0	0	113.9	Y340 V341	P338-Y340 HydrophobicContact CB-CD1 3.66Å; P338-Y340 HydrophobicContact CB-CE1 3.5Å; P338-Y340 HydrophobicContact CG-CE1 4.06Å; P338-Y340 PolarHBondContact O-N 3.02Å; P338-V341 WeakPolarHBondContact O-CB 3.41Å; P338-V341 PolarHBondContact O-N 3.02Å
339	D	44	Very low	42.4	Very low	143 Å²	143	95.7 Å²	95.7	77%	0.765	57%	0.57	S	S	*	*	H	α-helix	trans	-52.8	-29.8	-173.7	-50.5	-46.4	0	0	0	114.4	V341 Y342 S343	D339-V341 PolarHBondContact O-N 2.68Å; D339-Y342 WeakPolarHBondContact O-CB 3.49Å; D339-Y342 PolarHBondContact O-N 2.85Å; D339-S343 PolarHBondContact O-N 3.21Å
340	Y	50.6	Low	43.7	Very low	76 Å²	76	90.5 Å²	90.5	30%	0.298	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-27.8	177.5	72.3	-101.1	0	0	0	112.9	P338 S343 Q344	P338-Y340 HydrophobicContact CB-CD1 3.66Å; P338-Y340 HydrophobicContact CB-CE1 3.5Å; P338-Y340 HydrophobicContact CG-CE1 4.06Å; P338-Y340 PolarHBondContact O-N 3.02Å; Y340-S343 WeakPolarHBondContact CA-OG 3.21Å; Y340-S343 PolarHBondContact O-N 3.06Å; Y340-S343 PolarHBondContact O-OG 3.42Å; Y340-Q344 VanDerWaalsContact O-CG 3.32Å; Y340-Q344 WeakPolarHBondContact O-CG 3.46Å; Y340-Q344 PolarHBondContact O-N 3.1Å
341	V	49.8	Very low	44.9	Very low	1 Å²	1	88.8 Å²	88.8	1%	0.006	54%	0.538	C	S	.	.	H	α-helix	trans	-74.2	-42.4	174.6	-172.3	0	0	0	0	110.1	I277 L284 I337 P338 D339 S343 Q344 V345	I277-V341 HydrophobicContact CD1-CG1 4.38Å; L284-V341 HydrophobicContact CD1-CG1 4.25Å; L284-V341 HydrophobicContact CD1-CG2 4.06Å; L284-V341 HydrophobicContact CD2-CG1 4.28Å; L284-V341 HydrophobicContact CD2-CG2 4.34Å; I337-V341 HydrophobicContact CG2-CB 3.6Å; I337-V341 HydrophobicContact CG2-CG1 3.79Å; I337-V341 HydrophobicContact CG2-CG2 3.77Å; P338-V341 WeakPolarHBondContact O-CB 3.41Å; P338-V341 PolarHBondContact O-N 3.02Å; D339-V341 PolarHBondContact O-N 2.68Å; V341-S343 PolarHBondContact O-N 3.02Å; V341-Q344 PolarHBondContact O-N 3.16Å; V341-V345 HydrophobicContact CG1-CG2 4.15Å; V341-V345 WeakPolarHBondContact O-CG2 3.49Å; V341-V345 PolarHBondContact O-N 3.12Å
342	Y	48.3	Very low	46.3	Very low	83 Å²	83	88.3 Å²	88.3	33%	0.325	53%	0.525	S	S	.	.	H	α-helix	trans	-56.2	-41.4	170.2	-90.5	-83.2	0	0	0	111	F268 L273 D339 Q344 V345 A346	F268-Y342 PolarHBondContact O-OH 3.35Å; L273-Y342 HydrophobicContact CD1-CD1 4.23Å; L273-Y342 HydrophobicContact CD1-CD2 4.43Å; L273-Y342 HydrophobicContact CD1-CE1 3.62Å; L273-Y342 HydrophobicContact CD1-CE2 3.85Å; L273-Y342 VanDerWaalsContact CD1-CZ 3.4Å; D339-Y342 WeakPolarHBondContact O-CB 3.49Å; D339-Y342 PolarHBondContact O-N 2.85Å; Y342-Q344 PolarHBondContact O-N 2.83Å; Y342-V345 PolarHBondContact O-N 3.1Å; Y342-A346 WeakPolarHBondContact O-CB 3.33Å; Y342-A346 PolarHBondContact O-N 2.9Å
343	S	48.2	Very low	47.4	Very low	92 Å²	92	84.9 Å²	84.9	64%	0.643	51%	0.507	S	S	*	.	H	α-helix	trans	-67.7	-15.4	176.2	80.5	0	0	0	0	115.4	D339 Y340 V341	D339-S343 PolarHBondContact O-N 3.21Å; Y340-S343 WeakPolarHBondContact CA-OG 3.21Å; Y340-S343 PolarHBondContact O-N 3.06Å; Y340-S343 PolarHBondContact O-OG 3.42Å; V341-S343 PolarHBondContact O-N 3.02Å
344	Q	46.4	Very low	49	Very low	121 Å²	121	85.7 Å²	85.7	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-102.4	-20.6	179.2	-73.5	174	-3	0	0	113.3	Y340 V341 Y342	Y340-Q344 VanDerWaalsContact O-CG 3.32Å; Y340-Q344 WeakPolarHBondContact O-CG 3.46Å; Y340-Q344 PolarHBondContact O-N 3.1Å; V341-Q344 PolarHBondContact O-N 3.16Å; Y342-Q344 PolarHBondContact O-N 2.83Å
345	V	43.3	Very low	50.4	Low	39 Å²	39	82 Å²	82	24%	0.236	48%	0.48	C	S	.	.	H	α-helix	trans	-114.1	-16.3	-174.4	-174.5	0	0	0	0	112.6	L273 I276 V341 Y342 P347	L273-V345 HydrophobicContact CD2-CB 4.16Å; L273-V345 HydrophobicContact CD2-CG1 3.56Å; I276-V345 HydrophobicContact CG2-CG1 4.47Å; V341-V345 HydrophobicContact CG1-CG2 4.15Å; V341-V345 WeakPolarHBondContact O-CG2 3.49Å; V341-V345 PolarHBondContact O-N 3.12Å; Y342-V345 PolarHBondContact O-N 3.1Å; V345-P347 WeakPolarHBondContact O-CD 3.46Å
346	A	40.2	Very low	51.7	Low	58 Å²	58	81.4 Å²	81.4	48%	0.479	47%	0.466	S	S	.	.	S	Bend	trans	-61.7	127	169.7	0	0	0	0	0	110.7	Y342	Y342-A346 WeakPolarHBondContact O-CB 3.33Å; Y342-A346 PolarHBondContact O-N 2.9Å
347	P	48	Very low	52.9	Low	69 Å²	69	81.2 Å²	81.2	45%	0.448	45%	0.452	S	S	.	.			trans	-60.3	148	170.4	-19.6	31.6	0	0	0	110.4	F268 V345 T349	F268-P347 HydrophobicContact CE2-CG 3.99Å; F268-P347 HydrophobicContact CZ-CG 4.06Å; V345-P347 WeakPolarHBondContact O-CD 3.46Å; P347-T349 PolarHBondContact O-N 2.96Å
348	P	46.2	Very low	53.9	Low	118 Å²	118	84.6 Å²	84.6	77%	0.766	47%	0.47	S	S	*	.			trans	-62.3	113.5	169.6	27	-33.1	0	0	0	108.9	I350	P348-I350 PolarHBondContact O-N 2.93Å; P348-I350 VanDerWaalsContact O-N 3.13Å
349	T	51.2	Low	54.7	Low	113 Å²	113	82.6 Å²	82.6	69%	0.693	46%	0.455	S	S	*	.			trans	-55.5	119.8	-179.2	-44.3	0	0	0	0	109.9	P347 L351	P347-T349 PolarHBondContact O-N 2.96Å; T349-L351 VanDerWaalsContact C-N 3.27Å; T349-L351 HydrophobicContact CG2-CD2 3.97Å; T349-L351 HydrophobicContact CG2-CG 4.01Å; T349-L351 PolarHBondContact O-N 2.93Å
350	I	54.7	Low	56.2	Low	69 Å²	69	80.4 Å²	80.4	35%	0.354	44%	0.44	S	S	.	.			trans	-76.7	83.6	-176.6	-56.3	-177.1	0	0	0	109.2	P348 G355 K356	P348-I350 PolarHBondContact O-N 2.93Å; P348-I350 VanDerWaalsContact O-N 3.13Å; I350-G355 VanDerWaalsContact CG2-C 3.41Å; I350-K356 HydrophobicContact CG2-CG 4.1Å; I350-K356 WeakPolarHBondContact O-CE 3.36Å
351	L	53.4	Low	57.4	Low	148 Å²	148	80.1 Å²	80.1	78%	0.775	44%	0.444	S	S	*	.			trans	-89.6	-11.4	-179.1	-66	171	0	0	0	113	T349	T349-L351 VanDerWaalsContact C-N 3.27Å; T349-L351 HydrophobicContact CG2-CD2 3.97Å; T349-L351 HydrophobicContact CG2-CG 4.01Å; T349-L351 PolarHBondContact O-N 2.93Å
352	S	57.5	Low	58.7	Low	50 Å²	50	83.7 Å²	83.7	35%	0.35	46%	0.462	S	S	.	.	S	Bend	trans	-81.6	135.3	175.5	130.2	0	0	0	0	110.6	E354 G355 K356	S352-E354 VanDerWaalsContact CB-OE2 3.31Å; S352-E354 WeakPolarHBondContact CB-OE2 3.48Å; S352-E354 PolarHBondContact O-N 3.37Å; S352-E354 PolarHBondContact OG-N 3.31Å; S352-E354 PolarHBondContact OG-OE2 3.23Å; S352-G355 PolarHBondContact O-N 3.33Å; S352-G355 PolarHBondContact OG-N 3.33Å; S352-K356 PolarHBondContact O-N 3.06Å
353	P	60.1	Low	60.1	Low	93 Å²	93	80.3 Å²	80.3	60%	0.604	45%	0.45	S	S	*	.	H	α-helix	trans	-57.9	-36.9	174	-24.8	34.7	0	0	0	113.1	K356 K357	P353-K356 PolarHBondContact O-N 3.36Å; P353-K357 PolarHBondContact O-N 3.35Å
354	E	61.9	Low	61.6	Low	120 Å²	120	78.9 Å²	78.9	56%	0.561	44%	0.444	S	S	*	.	H	α-helix	trans	-66.5	-42.5	-179.2	-50.9	71.6	-153.3	0	0	110.9	S352 K356 K357 I358	S352-E354 VanDerWaalsContact CB-OE2 3.31Å; S352-E354 WeakPolarHBondContact CB-OE2 3.48Å; S352-E354 PolarHBondContact O-N 3.37Å; S352-E354 PolarHBondContact OG-N 3.31Å; S352-E354 PolarHBondContact OG-OE2 3.23Å; E354-K356 VanDerWaalsContact C-N 3.31Å; E354-K356 PolarHBondContact O-N 3.13Å; E354-K357 PolarHBondContact O-N 3.31Å; E354-I358 VanDerWaalsContact O-CG1 3.29Å; E354-I358 WeakPolarHBondContact O-CG1 3.38Å; E354-I358 PolarHBondContact O-N 2.91Å
355	G	63.5	Low	63.3	Low	18 Å²	18	78.6 Å²	78.6	19%	0.186	44%	0.444	C	S	.	.	H	α-helix	trans	-63.8	-35.2	174.9	0	0	0	0	0	112.9	I350 S352 Q359	I350-G355 VanDerWaalsContact CG2-C 3.41Å; S352-G355 PolarHBondContact O-N 3.33Å; S352-G355 PolarHBondContact OG-N 3.33Å; G355-Q359 PolarHBondContact O-N 2.99Å
356	K	67.1	Low	65	Low	105 Å²	105	78.2 Å²	78.2	46%	0.457	44%	0.443	S	S	.	.	H	α-helix	trans	-68.1	-44.9	173.8	-68.9	-170.2	176.4	-166.9	0	112	I350 S352 P353 E354 I358 Q359 Q360	I350-K356 HydrophobicContact CG2-CG 4.1Å; I350-K356 WeakPolarHBondContact O-CE 3.36Å; S352-K356 PolarHBondContact O-N 3.06Å; P353-K356 PolarHBondContact O-N 3.36Å; E354-K356 VanDerWaalsContact C-N 3.31Å; E354-K356 PolarHBondContact O-N 3.13Å; K356-I358 VanDerWaalsContact C-N 3.34Å; K356-I358 PolarHBondContact O-N 3.41Å; K356-Q359 PolarHBondContact O-N 3.38Å; K356-Q360 WeakPolarHBondContact O-CG 3.3Å; K356-Q360 PolarHBondContact O-N 3.03Å
357	K	73.3	Confident	67.1	Low	96 Å²	96	78.3 Å²	78.3	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-55.1	-50	173.8	-172.8	178.4	177.4	-178.4	0	110.6	E58 P353 E354 Q359 Q360 D361	E58-K357 IonicContact OE1-NZ 3.94Å; E58-K357 PolarHBondContact OE1-NZ 2.97Å; P353-K357 PolarHBondContact O-N 3.35Å; E354-K357 PolarHBondContact O-N 3.31Å; K357-Q359 VanDerWaalsContact C-N 3.35Å; K357-Q359 PolarHBondContact O-N 2.96Å; K357-Q360 PolarHBondContact O-N 3.42Å; K357-Q360 VanDerWaalsContact O-N 3.12Å; K357-D361 PolarHBondContact O-N 2.77Å
358	I	71.5	Confident	68.7	Low	99 Å²	99	81.5 Å²	81.5	51%	0.508	45%	0.446	S	S	.	.	H	α-helix	trans	-58.7	-41.6	176.8	-68.1	163.8	0	0	0	112.3	E354 K356 I362	E354-I358 VanDerWaalsContact O-CG1 3.29Å; E354-I358 WeakPolarHBondContact O-CG1 3.38Å; E354-I358 PolarHBondContact O-N 2.91Å; K356-I358 VanDerWaalsContact C-N 3.34Å; K356-I358 PolarHBondContact O-N 3.41Å; I358-I362 HydrophobicContact CG2-CD1 3.81Å; I358-I362 WeakPolarHBondContact O-CD1 3.42Å; I358-I362 WeakPolarHBondContact O-CG1 3.48Å; I358-I362 PolarHBondContact O-N 3.31Å
359	Q	70	Confident	70.4	Confident	24 Å²	24	79.2 Å²	79.2	11%	0.112	43%	0.43	C	S	.	.	H	α-helix	trans	-64.5	-42.5	175.9	-176.4	178.7	-12.3	0	0	111.7	L259 G355 K356 K357 I362 C363	L259-Q359 PolarHBondContact O-NE2 3.19Å; G355-Q359 PolarHBondContact O-N 2.99Å; K356-Q359 PolarHBondContact O-N 3.38Å; K357-Q359 VanDerWaalsContact C-N 3.35Å; K357-Q359 PolarHBondContact O-N 2.96Å; Q359-I362 PolarHBondContact O-N 3.11Å; Q359-C363 WeakPolarHBondContact O-CB 3.47Å; Q359-C363 PolarHBondContact O-N 2.83Å; Q359-C363 PolarHBondContact O-SG 2.86Å; Q359-C363 VanDerWaalsContact O-SG 3.34Å
360	Q	74.6	Confident	72.1	Confident	97 Å²	97	74.3 Å²	74.3	45%	0.453	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-42.8	177.1	-70.7	172.4	-14.6	0	0	111.7	E263 K356 K357 I362 C363 A364	E263-Q360 PolarHBondContact OE1-NE2 2.97Å; K356-Q360 WeakPolarHBondContact O-CG 3.3Å; K356-Q360 PolarHBondContact O-N 3.03Å; K357-Q360 PolarHBondContact O-N 3.42Å; K357-Q360 VanDerWaalsContact O-N 3.12Å; Q360-I362 PolarHBondContact O-N 3.41Å; Q360-C363 WeakPolarHBondContact O-CB 3.36Å; Q360-C363 PolarHBondContact O-N 2.72Å; Q360-A364 WeakPolarHBondContact O-CB 3.08Å; Q360-A364 PolarHBondContact O-N 3.36Å
361	D	76.5	Confident	73.5	Confident	70 Å²	70	74.7 Å²	74.7	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-44.4	175.5	-65.4	-32.6	0	0	0	111.5	K357 A364 M365	K357-D361 PolarHBondContact O-N 2.77Å; D361-A364 PolarHBondContact O-N 3.13Å; D361-M365 WeakPolarHBondContact O-CB 3.42Å; D361-M365 PolarHBondContact O-N 3.18Å
362	I	76.2	Confident	75.1	Confident	75 Å²	75	71 Å²	71	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-42.9	176	-66.3	165.1	0	0	0	110.8	L259 I358 Q359 Q360 S366	L259-I362 HydrophobicContact CD2-CG2 3.7Å; I358-I362 HydrophobicContact CG2-CD1 3.81Å; I358-I362 WeakPolarHBondContact O-CD1 3.42Å; I358-I362 WeakPolarHBondContact O-CG1 3.48Å; I358-I362 PolarHBondContact O-N 3.31Å; Q359-I362 PolarHBondContact O-N 3.11Å; Q360-I362 PolarHBondContact O-N 3.41Å; I362-S366 WeakPolarHBondContact O-CB 3.42Å; I362-S366 PolarHBondContact O-N 3.04Å; I362-S366 PolarHBondContact O-OG 3.23Å
363	C	78.8	Confident	76.1	Confident	13 Å²	13	72.7 Å²	72.7	9%	0.088	40%	0.4	C	S	.	.	H	α-helix	trans	-60	-45.6	174.9	-78.7	0	0	0	0	112.1	Q260 Q359 Q360 T367	Q260-C363 HydrophobicContact CG-CB 4.18Å; Q359-C363 WeakPolarHBondContact O-CB 3.47Å; Q359-C363 PolarHBondContact O-N 2.83Å; Q359-C363 PolarHBondContact O-SG 2.86Å; Q359-C363 VanDerWaalsContact O-SG 3.34Å; Q360-C363 WeakPolarHBondContact O-CB 3.36Å; Q360-C363 PolarHBondContact O-N 2.72Å; C363-T367 WeakPolarHBondContact O-CB 3.37Å; C363-T367 PolarHBondContact O-N 3.15Å; C363-T367 PolarHBondContact O-OG1 3.13Å
364	A	80.2	Confident	77.4	Confident	61 Å²	61	71.8 Å²	71.8	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-52	179.5	0	0	0	0	0	111.5	Q360 D361 S366 T367 Q368	Q360-A364 WeakPolarHBondContact O-CB 3.08Å; Q360-A364 PolarHBondContact O-N 3.36Å; D361-A364 PolarHBondContact O-N 3.13Å; A364-S366 VanDerWaalsContact C-N 3.34Å; A364-S366 PolarHBondContact O-N 3.34Å; A364-T367 WeakPolarHBondContact O-CB 3.34Å; A364-T367 PolarHBondContact O-N 3.44Å; A364-Q368 PolarHBondContact O-N 2.79Å
365	M	81.4	Confident	78.6	Confident	115 Å²	115	69.1 Å²	69.1	57%	0.567	38%	0.381	S	S	*	.	H	α-helix	trans	-61.8	-39.7	178.8	-177.6	169.7	56.4	0	0	112.1	D361 T367 Q368 V369	D361-M365 WeakPolarHBondContact O-CB 3.42Å; D361-M365 PolarHBondContact O-N 3.18Å; M365-T367 VanDerWaalsContact C-N 3.34Å; M365-T367 PolarHBondContact O-N 3.41Å; M365-Q368 PolarHBondContact O-N 3.01Å; M365-V369 WeakPolarHBondContact O-CG2 3.45Å; M365-V369 PolarHBondContact O-N 3.28Å
366	S	79	Confident	79.6	Confident	32 Å²	32	72.1 Å²	72.1	22%	0.224	40%	0.396	C	S	.	.	H	α-helix	trans	-66.2	-37.4	176.8	-55.5	0	0	0	0	112	I256 I362 A364 V369 L370	I256-S366 VanDerWaalsContact CD1-O 3.32Å; I256-S366 WeakPolarHBondContact CD1-O 3.48Å; I362-S366 WeakPolarHBondContact O-CB 3.42Å; I362-S366 PolarHBondContact O-N 3.04Å; I362-S366 PolarHBondContact O-OG 3.23Å; A364-S366 VanDerWaalsContact C-N 3.34Å; A364-S366 PolarHBondContact O-N 3.34Å; S366-V369 PolarHBondContact O-N 2.82Å; S366-L370 WeakPolarHBondContact O-CB 3.27Å; S366-L370 PolarHBondContact O-N 3.47Å
367	T	83.9	Confident	80.7	Confident	59 Å²	59	68.6 Å²	68.6	36%	0.362	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-40.3	175.2	-55	0	0	0	0	111.3	C363 A364 M365 L370 S371	C363-T367 WeakPolarHBondContact O-CB 3.37Å; C363-T367 PolarHBondContact O-N 3.15Å; C363-T367 PolarHBondContact O-OG1 3.13Å; A364-T367 WeakPolarHBondContact O-CB 3.34Å; A364-T367 PolarHBondContact O-N 3.44Å; M365-T367 VanDerWaalsContact C-N 3.34Å; M365-T367 PolarHBondContact O-N 3.41Å; T367-L370 PolarHBondContact O-N 3.4Å; T367-S371 WeakPolarHBondContact O-CB 3.42Å; T367-S371 PolarHBondContact O-N 3.46Å
368	Q	82.9	Confident	81.3	Confident	136 Å²	136	69.9 Å²	69.9	64%	0.636	39%	0.388	S	S	*	.	H	α-helix	trans	-62.6	-47.5	174.8	-173.2	179.7	4.5	0	0	111.7	A364 M365 L370 S371 S372	A364-Q368 PolarHBondContact O-N 2.79Å; M365-Q368 PolarHBondContact O-N 3.01Å; Q368-L370 PolarHBondContact O-N 3.39Å; Q368-S371 WeakPolarHBondContact O-CB 3.47Å; Q368-S371 PolarHBondContact O-N 3.15Å; Q368-S372 PolarHBondContact O-N 2.81Å; Q368-S372 PolarHBondContact O-OG 3.29Å
369	V	81.6	Confident	82	Confident	71 Å²	71	68.7 Å²	68.7	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-44.3	176.8	169.6	0	0	0	0	111.5	M365 S366 S371 S372 L373	M365-V369 WeakPolarHBondContact O-CG2 3.45Å; M365-V369 PolarHBondContact O-N 3.28Å; S366-V369 PolarHBondContact O-N 2.82Å; V369-S371 VanDerWaalsContact C-N 3.31Å; V369-S371 PolarHBondContact O-N 2.86Å; V369-S372 PolarHBondContact O-N 3.39Å; V369-L373 HydrophobicContact CG1-CD1 3.78Å; V369-L373 HydrophobicContact CG1-CG 4.35Å; V369-L373 VanDerWaalsContact O-CG 3.3Å; V369-L373 WeakPolarHBondContact O-CG 3.36Å; V369-L373 PolarHBondContact O-N 3.48Å
370	L	85.4	Confident	82.5	Confident	9 Å²	9	72.3 Å²	72.3	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-58.7	-42.6	174.9	177.1	69.9	0	0	0	111.9	L249 L252 N253 I256 S366 T367 Q368 L373 K374	L249-L370 HydrophobicContact CB-CD1 4.37Å; L249-L370 HydrophobicContact CD2-CD1 3.99Å; L249-L370 WeakPolarHBondContact O-CD1 3.34Å; L252-L370 HydrophobicContact CB-CD1 4.25Å; L252-L370 HydrophobicContact CD2-CB 4.22Å; L252-L370 HydrophobicContact CD2-CD1 3.91Å; L252-L370 HydrophobicContact CG-CD1 4.05Å; N253-L370 HydrophobicContact CB-CD1 4.3Å; N253-L370 HydrophobicContact CB-CD2 3.72Å; N253-L370 WeakPolarHBondContact OD1-CD2 3.49Å; I256-L370 HydrophobicContact CD1-CB 3.93Å; I256-L370 HydrophobicContact CD1-CD2 3.99Å; S366-L370 WeakPolarHBondContact O-CB 3.27Å; S366-L370 PolarHBondContact O-N 3.47Å; T367-L370 PolarHBondContact O-N 3.4Å; Q368-L370 PolarHBondContact O-N 3.39Å; L370-L373 PolarHBondContact O-N 3.25Å; L370-K374 HydrophobicContact CD1-CG 4.46Å; L370-K374 HydrophobicContact CG-CD 4.34Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 WeakPolarHBondContact O-CG 3.32Å; L370-K374 PolarHBondContact O-N 3.09Å
371	S	84.2	Confident	82.9	Confident	78 Å²	78	69.7 Å²	69.7	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-49	178.1	-170.8	0	0	0	0	111.7	T367 Q368 V369 L373 K374 S375	T367-S371 WeakPolarHBondContact O-CB 3.42Å; T367-S371 PolarHBondContact O-N 3.46Å; Q368-S371 WeakPolarHBondContact O-CB 3.47Å; Q368-S371 PolarHBondContact O-N 3.15Å; V369-S371 VanDerWaalsContact C-N 3.31Å; V369-S371 PolarHBondContact O-N 2.86Å; S371-L373 PolarHBondContact O-N 2.94Å; S371-K374 PolarHBondContact O-N 3.03Å; S371-S375 PolarHBondContact O-N 3.1Å
372	S	86.8	Confident	83.3	Confident	71 Å²	71	70.6 Å²	70.6	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-60.8	-41.9	176.9	-60.1	0	0	0	0	112.7	Q368 V369 S375 V376	Q368-S372 PolarHBondContact O-N 2.81Å; Q368-S372 PolarHBondContact O-OG 3.29Å; V369-S372 PolarHBondContact O-N 3.39Å; S372-S375 PolarHBondContact O-N 2.73Å; S372-V376 WeakPolarHBondContact O-CG2 3.39Å; S372-V376 PolarHBondContact O-N 2.88Å; S372-V376 VanDerWaalsContact O-N 3.1Å
373	L	80.4	Confident	83.5	Confident	84 Å²	84	71 Å²	71	44%	0.44	40%	0.402	S	S	.	.	H	α-helix	trans	-71	-33.8	179.4	-65.8	171.2	0	0	0	112.9	L249 L252 V369 L370 S371 V376 H377	L249-L373 HydrophobicContact CD2-CB 3.51Å; L249-L373 HydrophobicContact CD2-CD1 4.18Å; L252-L373 HydrophobicContact CD2-CD1 4.42Å; V369-L373 HydrophobicContact CG1-CD1 3.78Å; V369-L373 HydrophobicContact CG1-CG 4.35Å; V369-L373 VanDerWaalsContact O-CG 3.3Å; V369-L373 WeakPolarHBondContact O-CG 3.36Å; V369-L373 PolarHBondContact O-N 3.48Å; L370-L373 PolarHBondContact O-N 3.25Å; S371-L373 PolarHBondContact O-N 2.94Å; L373-V376 PolarHBondContact O-N 3.18Å; L373-H377 WeakPolarHBondContact O-CB 3.29Å; L373-H377 PolarHBondContact O-N 2.97Å
374	K	87.3	Confident	83.7	Confident	75 Å²	75	74.2 Å²	74.2	33%	0.326	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-47.7	170.2	-78.6	179.6	176.7	179.4	0	111.5	L249 L370 S371 V376 H377 E378	L249-K374 HydrophobicContact CD1-CG 4.36Å; L370-K374 HydrophobicContact CD1-CG 4.46Å; L370-K374 HydrophobicContact CG-CD 4.34Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 WeakPolarHBondContact O-CG 3.32Å; L370-K374 PolarHBondContact O-N 3.09Å; S371-K374 PolarHBondContact O-N 3.03Å; K374-V376 VanDerWaalsContact C-N 3.29Å; K374-V376 PolarHBondContact O-N 2.83Å; K374-H377 WeakPolarHBondContact O-CB 3.49Å; K374-H377 PolarHBondContact O-N 3.14Å; K374-E378 WeakPolarHBondContact O-CB 3.4Å; K374-E378 WeakPolarHBondContact O-CG 3.32Å; K374-E378 PolarHBondContact O-N 3.16Å
375	S	87.1	Confident	83.7	Confident	64 Å²	64	76.2 Å²	76.2	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-59.9	-37	177.8	178.9	0	0	0	0	112.9	S371 S372 T379	S371-S375 PolarHBondContact O-N 3.1Å; S372-S375 PolarHBondContact O-N 2.73Å; S375-T379 WeakPolarHBondContact O-CB 3.5Å; S375-T379 PolarHBondContact O-N 3.36Å; S375-T379 PolarHBondContact O-OG1 2.77Å
376	V	83.8	Confident	83.7	Confident	81 Å²	81	75.3 Å²	75.3	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-42.8	172.5	171.7	0	0	0	0	111.5	S372 L373 K374 T379 L380	S372-V376 WeakPolarHBondContact O-CG2 3.39Å; S372-V376 PolarHBondContact O-N 2.88Å; S372-V376 VanDerWaalsContact O-N 3.1Å; L373-V376 PolarHBondContact O-N 3.18Å; K374-V376 VanDerWaalsContact C-N 3.29Å; K374-V376 PolarHBondContact O-N 2.83Å; V376-T379 PolarHBondContact O-N 3.22Å; V376-L380 HydrophobicContact CG1-CD1 3.9Å; V376-L380 HydrophobicContact CG1-CG 4.45Å; V376-L380 WeakPolarHBondContact O-CB 3.34Å; V376-L380 VanDerWaalsContact O-CG 3.29Å; V376-L380 WeakPolarHBondContact O-CG 3.42Å; V376-L380 PolarHBondContact O-N 3.48Å
377	H	90.1	Very high	83.5	Confident	30 Å²	30	79.8 Å²	79.8	14%	0.139	43%	0.425	C	S	.	.	H	α-helix	trans	-63.6	-42.5	176.9	178.5	-89.2	0	0	0	112.8	L242 L249 L373 K374 L380 S381	L242-H377 PolarHBondContact O-NE2 3Å; L249-H377 HydrophobicContact CD1-CB 3.9Å; L373-H377 WeakPolarHBondContact O-CB 3.29Å; L373-H377 PolarHBondContact O-N 2.97Å; K374-H377 WeakPolarHBondContact O-CB 3.49Å; K374-H377 PolarHBondContact O-N 3.14Å; H377-L380 PolarHBondContact O-N 2.82Å; H377-S381 WeakPolarHBondContact O-CB 3.48Å; H377-S381 PolarHBondContact O-N 3.49Å; H377-S381 PolarHBondContact O-OG 2.71Å
378	E	85.1	Confident	83.2	Confident	123 Å²	123	80.4 Å²	80.4	58%	0.575	42%	0.424	S	S	*	.	H	α-helix	trans	-62.4	-46.5	175	-72.5	163.4	-171.4	0	0	111	K374 L380 S381 L382	K374-E378 WeakPolarHBondContact O-CB 3.4Å; K374-E378 WeakPolarHBondContact O-CG 3.32Å; K374-E378 PolarHBondContact O-N 3.16Å; E378-L380 PolarHBondContact O-N 2.86Å; E378-S381 PolarHBondContact O-N 3.01Å; E378-L382 WeakPolarHBondContact O-CB 3.35Å; E378-L382 PolarHBondContact O-N 2.8Å
379	T	86.3	Confident	82.9	Confident	75 Å²	75	78.7 Å²	78.7	46%	0.46	42%	0.416	S	S	.	.	H	α-helix	trans	-58.7	-48.7	175.5	-57.8	0	0	0	0	111.8	S375 V376 S381 L382 E383	S375-T379 WeakPolarHBondContact O-CB 3.5Å; S375-T379 PolarHBondContact O-N 3.36Å; S375-T379 PolarHBondContact O-OG1 2.77Å; V376-T379 PolarHBondContact O-N 3.22Å; T379-S381 VanDerWaalsContact C-N 3.32Å; T379-S381 PolarHBondContact O-N 3.45Å; T379-L382 PolarHBondContact O-N 3.41Å; T379-E383 PolarHBondContact O-N 2.87Å
380	L	80.3	Confident	82.6	Confident	99 Å²	99	77.7 Å²	77.7	52%	0.518	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-35.3	178.8	-71.2	170.4	0	0	0	112.3	L242 V376 H377 E378 R384	L242-L380 HydrophobicContact CD2-CB 4.09Å; V376-L380 HydrophobicContact CG1-CD1 3.9Å; V376-L380 HydrophobicContact CG1-CG 4.45Å; V376-L380 WeakPolarHBondContact O-CB 3.34Å; V376-L380 VanDerWaalsContact O-CG 3.29Å; V376-L380 WeakPolarHBondContact O-CG 3.42Å; V376-L380 PolarHBondContact O-N 3.48Å; H377-L380 PolarHBondContact O-N 2.82Å; E378-L380 PolarHBondContact O-N 2.86Å; L380-R384 WeakPolarHBondContact O-CB 3.43Å; L380-R384 PolarHBondContact O-N 2.71Å
381	S	84.3	Confident	81.9	Confident	42 Å²	42	84.2 Å²	84.2	29%	0.294	44%	0.439	S	S	.	.	H	α-helix	trans	-67	-41.3	175.7	-60.2	0	0	0	0	111.6	H377 E378 T379 R384 Q385	H377-S381 WeakPolarHBondContact O-CB 3.48Å; H377-S381 PolarHBondContact O-N 3.49Å; H377-S381 PolarHBondContact O-OG 2.71Å; E378-S381 PolarHBondContact O-N 3.01Å; T379-S381 VanDerWaalsContact C-N 3.32Å; T379-S381 PolarHBondContact O-N 3.45Å; S381-R384 PolarHBondContact O-N 3.13Å; S381-Q385 PolarHBondContact O-N 3.43Å
382	L	84.2	Confident	81.3	Confident	89 Å²	89	85.7 Å²	85.7	47%	0.466	44%	0.437	S	S	.	.	H	α-helix	trans	-67.3	-45.5	177.6	-177.7	65.4	0	0	0	112.3	E378 T379 R384 Q385 K386	E378-L382 WeakPolarHBondContact O-CB 3.35Å; E378-L382 PolarHBondContact O-N 2.8Å; T379-L382 PolarHBondContact O-N 3.41Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 3.11Å; L382-Q385 PolarHBondContact O-N 2.97Å; L382-K386 WeakPolarHBondContact O-CG 3.34Å; L382-K386 PolarHBondContact O-N 3.39Å
383	E	79.8	Confident	80.5	Confident	85 Å²	85	84.9 Å²	84.9	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-36.3	175.5	-66.9	-50.7	127	0	0	111.8	T379 Q385 K386 L387	T379-E383 PolarHBondContact O-N 2.87Å; E383-Q385 VanDerWaalsContact C-N 3.35Å; E383-Q385 PolarHBondContact O-N 3.16Å; E383-K386 PolarHBondContact O-N 3.14Å; E383-K386 IonicContact OE1-NZ 3.32Å; E383-K386 PolarHBondContact OE1-NZ 3.23Å; E383-K386 IonicContact OE2-NZ 3.43Å; E383-L387 WeakPolarHBondContact O-CB 3.31Å; E383-L387 VanDerWaalsContact O-CG 3.31Å; E383-L387 WeakPolarHBondContact O-CG 3.24Å; E383-L387 PolarHBondContact O-N 3.35Å
384	R	83.5	Confident	79.6	Confident	79 Å²	79	86.1 Å²	86.1	30%	0.298	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-41.5	172	-160.8	-154.1	109	-151.2	-1.1	111.8	L242 L380 S381 L382 L387 Q388	L242-R384 HydrophobicContact CD1-CB 4.43Å; L380-R384 WeakPolarHBondContact O-CB 3.43Å; L380-R384 PolarHBondContact O-N 2.71Å; S381-R384 PolarHBondContact O-N 3.13Å; L382-R384 VanDerWaalsContact C-N 3.31Å; L382-R384 PolarHBondContact O-N 3.11Å; R384-L387 PolarHBondContact O-N 2.98Å; R384-Q388 WeakPolarHBondContact O-CB 3.29Å; R384-Q388 PolarHBondContact O-N 3.31Å
385	Q	80.9	Confident	78.1	Confident	104 Å²	104	86.1 Å²	86.1	49%	0.486	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-48.8	177.4	-179.9	176.1	-19.1	0	0	111.2	S381 L382 E383 L387 Q388 E389	S381-Q385 PolarHBondContact O-N 3.43Å; L382-Q385 PolarHBondContact O-N 2.97Å; E383-Q385 VanDerWaalsContact C-N 3.35Å; E383-Q385 PolarHBondContact O-N 3.16Å; Q385-L387 VanDerWaalsContact C-N 3.3Å; Q385-L387 PolarHBondContact O-N 3.15Å; Q385-Q388 PolarHBondContact O-N 3.45Å; Q385-E389 HydrophobicContact CG-CG 4.36Å; Q385-E389 VanDerWaalsContact CG-OE1 3.3Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.26Å; Q385-E389 PolarHBondContact NE2-OE1 2.75Å; Q385-E389 WeakPolarHBondContact O-CG 3.32Å; Q385-E389 PolarHBondContact O-N 2.7Å
386	K	81.3	Confident	76.4	Confident	95 Å²	95	89.5 Å²	89.5	41%	0.413	46%	0.458	S	S	.	.	H	α-helix	trans	-55.6	-43.1	175.6	-68.4	170.6	-177.6	171.5	0	112.5	L382 E383 Q388 A390	L382-K386 WeakPolarHBondContact O-CG 3.34Å; L382-K386 PolarHBondContact O-N 3.39Å; E383-K386 PolarHBondContact O-N 3.14Å; E383-K386 IonicContact OE1-NZ 3.32Å; E383-K386 PolarHBondContact OE1-NZ 3.23Å; E383-K386 IonicContact OE2-NZ 3.43Å; K386-Q388 VanDerWaalsContact C-N 3.35Å; K386-A390 VanDerWaalsContact O-CB 3.26Å; K386-A390 WeakPolarHBondContact O-CB 3.18Å; K386-A390 PolarHBondContact O-N 3.32Å
387	L	74.9	Confident	74.7	Confident	126 Å²	126	93.3 Å²	93.3	66%	0.66	47%	0.47	S	S	*	.	H	α-helix	trans	-66.4	-35.5	177.4	-73.3	169.2	0	0	0	112.5	E383 R384 Q385 W391	E383-L387 WeakPolarHBondContact O-CB 3.31Å; E383-L387 VanDerWaalsContact O-CG 3.31Å; E383-L387 WeakPolarHBondContact O-CG 3.24Å; E383-L387 PolarHBondContact O-N 3.35Å; R384-L387 PolarHBondContact O-N 2.98Å; Q385-L387 VanDerWaalsContact C-N 3.3Å; Q385-L387 PolarHBondContact O-N 3.15Å; L387-W391 WeakPolarHBondContact O-CB 3.44Å; L387-W391 PolarHBondContact O-N 2.83Å; L387-W391 VanDerWaalsContact O-N 3.08Å
388	Q	77.3	Confident	72.5	Confident	72 Å²	72	99.8 Å²	99.8	34%	0.336	50%	0.5	S	S	.	.	H	α-helix	trans	-70.2	-47.1	175.7	-177.5	171.3	-20.5	0	0	111.4	R384 Q385 K386 A390 W391 E392	R384-Q388 WeakPolarHBondContact O-CB 3.29Å; R384-Q388 PolarHBondContact O-N 3.31Å; Q385-Q388 PolarHBondContact O-N 3.45Å; K386-Q388 VanDerWaalsContact C-N 3.35Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 3.03Å; Q388-W391 WeakPolarHBondContact O-CB 3.5Å; Q388-W391 PolarHBondContact O-N 3.28Å; Q388-W391 VanDerWaalsContact O-N 3.08Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.48Å; Q388-E392 PolarHBondContact NE2-OE1 3.5Å; Q388-E392 WeakPolarHBondContact O-CG 3.22Å; Q388-E392 PolarHBondContact O-N 3.11Å
389	E	77.2	Confident	70.2	Confident	101 Å²	101	98.5 Å²	98.5	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-58.8	-42.7	175.2	-70.4	169.6	-179.9	0	0	111.7	Q385 W391 E392 A393	Q385-E389 HydrophobicContact CG-CG 4.36Å; Q385-E389 VanDerWaalsContact CG-OE1 3.3Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.26Å; Q385-E389 PolarHBondContact NE2-OE1 2.75Å; Q385-E389 WeakPolarHBondContact O-CG 3.32Å; Q385-E389 PolarHBondContact O-N 2.7Å; E389-W391 VanDerWaalsContact C-N 3.32Å; E389-W391 PolarHBondContact O-N 3.35Å; E389-E392 PolarHBondContact O-N 3.31Å; E389-A393 WeakPolarHBondContact O-CB 3.28Å; E389-A393 PolarHBondContact O-N 3.31Å
390	A	74.4	Confident	68	Low	49 Å²	49	102.2 Å²	102.2	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-30.7	175.1	0	0	0	0	0	113.3	K386 Q388 N394	K386-A390 VanDerWaalsContact O-CB 3.26Å; K386-A390 WeakPolarHBondContact O-CB 3.18Å; K386-A390 PolarHBondContact O-N 3.32Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 3.03Å; A390-N394 PolarHBondContact O-N 3.24Å; A390-N394 PolarHBondContact O-ND2 3.18Å
391	W	70.8	Confident	66	Low	147 Å²	147	103.3 Å²	103.3	56%	0.557	53%	0.533	S	S	*	.	H	α-helix	trans	-74.8	-44.6	175.4	-177.5	19.9	0	0	0	111.6	P235 L387 Q388 E389 A393 N394 N395	P235-W391 HydrophobicContact CB-CZ3 4.47Å; P235-W391 HydrophobicContact CG-CH2 4.49Å; P235-W391 HydrophobicContact CG-CZ3 4.28Å; L387-W391 WeakPolarHBondContact O-CB 3.44Å; L387-W391 PolarHBondContact O-N 2.83Å; L387-W391 VanDerWaalsContact O-N 3.08Å; Q388-W391 WeakPolarHBondContact O-CB 3.5Å; Q388-W391 PolarHBondContact O-N 3.28Å; Q388-W391 VanDerWaalsContact O-N 3.08Å; E389-W391 VanDerWaalsContact C-N 3.32Å; E389-W391 PolarHBondContact O-N 3.35Å; W391-A393 PolarHBondContact O-N 3.09Å; W391-N394 PolarHBondContact O-N 3.45Å; W391-N395 PolarHBondContact NE1-ND2 2.92Å; W391-N395 PolarHBondContact O-N 3.27Å; W391-N395 VanDerWaalsContact O-N 3.08Å; W391-N395 PolarHBondContact O-ND2 3.29Å
392	E	71.1	Confident	63.7	Low	109 Å²	109	110 Å²	110	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-42	177.5	-70.4	174.5	-160.3	0	0	111.5	Q388 E389 N394 N395 L396	Q388-E392 WeakPolarHBondContact CG-OE1 3.48Å; Q388-E392 PolarHBondContact NE2-OE1 3.5Å; Q388-E392 WeakPolarHBondContact O-CG 3.22Å; Q388-E392 PolarHBondContact O-N 3.11Å; E389-E392 PolarHBondContact O-N 3.31Å; E392-N394 PolarHBondContact O-N 3.49Å; E392-N395 PolarHBondContact O-N 2.9Å; E392-L396 PolarHBondContact O-N 3.22Å
393	A	70.8	Confident	61.2	Low	53 Å²	53	110.5 Å²	110.5	44%	0.438	58%	0.581	S	S	.	*	H	α-helix	trans	-60.9	-40.5	173.8	0	0	0	0	0	113.3	E389 W391 L396 H397	E389-A393 WeakPolarHBondContact O-CB 3.28Å; E389-A393 PolarHBondContact O-N 3.31Å; W391-A393 PolarHBondContact O-N 3.09Å; A393-L396 PolarHBondContact O-N 3.06Å; A393-H397 PolarHBondContact O-CD2 2.99Å; A393-H397 PolarHBondContact O-N 3.09Å
394	N	61.8	Low	59.1	Low	111 Å²	111	113.2 Å²	113.2	59%	0.594	60%	0.603	S	S	*	*	H	α-helix	trans	-68.6	-36.4	177.7	-85.6	-64.9	0	0	0	112.8	A390 W391 E392 L396 H397	A390-N394 PolarHBondContact O-N 3.24Å; A390-N394 PolarHBondContact O-ND2 3.18Å; W391-N394 PolarHBondContact O-N 3.45Å; E392-N394 PolarHBondContact O-N 3.49Å; N394-L396 VanDerWaalsContact C-N 3.32Å; N394-L396 PolarHBondContact O-N 2.94Å; N394-H397 PolarHBondContact O-N 3.48Å
395	N	54.8	Low	56.8	Low	75 Å²	75	115.4 Å²	115.4	40%	0.401	63%	0.628	S	S	.	*	H	α-helix	trans	-65.5	-35.3	175.2	-69.9	-31.5	0	0	0	112	W391 E392 H397 Q398 S399	W391-N395 PolarHBondContact NE1-ND2 2.92Å; W391-N395 PolarHBondContact O-N 3.27Å; W391-N395 VanDerWaalsContact O-N 3.08Å; W391-N395 PolarHBondContact O-ND2 3.29Å; E392-N395 PolarHBondContact O-N 2.9Å; N395-H397 VanDerWaalsContact C-N 3.33Å; N395-H397 PolarHBondContact O-N 3.43Å; N395-Q398 PolarHBondContact O-N 3.43Å; N395-S399 PolarHBondContact O-OG 3.4Å
396	L	52.3	Low	54.2	Low	135 Å²	135	115 Å²	115	71%	0.707	64%	0.642	S	S	*	*	H	α-helix	trans	-64	-38.3	179.2	-152.6	74	0	0	0	111.9	E392 A393 N394 Q398 S399	E392-L396 PolarHBondContact O-N 3.22Å; A393-L396 PolarHBondContact O-N 3.06Å; N394-L396 VanDerWaalsContact C-N 3.32Å; N394-L396 PolarHBondContact O-N 2.94Å; L396-Q398 VanDerWaalsContact C-N 3.3Å; L396-Q398 PolarHBondContact O-N 2.91Å; L396-S399 PolarHBondContact O-N 3.47Å
397	H	48.6	Very low	52.7	Low	160 Å²	160	116.4 Å²	116.4	74%	0.741	66%	0.661	S	S	*	*	H	α-helix	trans	-68.3	-22.7	176.1	-83.3	-69.2	0	0	0	114.4	A393 N394 N395	A393-H397 PolarHBondContact O-CD2 2.99Å; A393-H397 PolarHBondContact O-N 3.09Å; N394-H397 PolarHBondContact O-N 3.48Å; N395-H397 VanDerWaalsContact C-N 3.33Å; N395-H397 PolarHBondContact O-N 3.43Å
398	Q	43.3	Very low	50.3	Low	167 Å²	167	115.2 Å²	115.2	78%	0.78	66%	0.663	S	S	*	*	H	α-helix	trans	-80.4	-13.7	177.7	-102.8	-177.6	7.4	0	0	114.3	N395 L396	N395-Q398 PolarHBondContact O-N 3.43Å; L396-Q398 VanDerWaalsContact C-N 3.3Å; L396-Q398 PolarHBondContact O-N 2.91Å
399	S	37.4	Very low	47.9	Very low	96 Å²	96	121 Å²	121	67%	0.671	69%	0.69	S	S	*	*	S	Bend	trans	-86.2	-9.5	-169.7	-61.4	0	0	0	0	115.4	N395 L396	N395-S399 PolarHBondContact O-OG 3.4Å; L396-S399 PolarHBondContact O-N 3.47Å
400	N	39.9	Very low	45.5	Very low	152 Å²	152	119.6 Å²	119.6	81%	0.813	70%	0.702	S	S	*	*	S	Bend	trans	-113.4	8.6	-164.4	-100.1	-3.2	0	0	0	116.7
401	T	37.8	Very low	43.9	Very low	123 Å²	123	123.3 Å²	123.3	76%	0.755	72%	0.722	S	S	*	*			trans	-137.1	70.2	-175.7	-41.5	0	0	0	0	113.6
402	L	36	Very low	42.3	Very low	183 Å²	183	121.3 Å²	121.3	96%	0.958	73%	0.728	S	S	*	*			trans	-134.4	84.9	165.6	-77.3	178.2	0	0	0	111.5
403	A	31.4	Very low	40.3	Very low	99 Å²	99	121.2 Å²	121.2	82%	0.818	74%	0.739	S	S	*	*			trans	-136	139.4	164.3	0	0	0	0	0	109.1
404	V	35.2	Very low	38.3	Very low	142 Å²	142	124.6 Å²	124.6	86%	0.861	75%	0.754	S	S	*	*			trans	-102.4	136.9	-164.5	171.4	0	0	0	0	111.3
405	P	35.1	Very low	36.7	Very low	125 Å²	125	125.1 Å²	125.1	81%	0.812	76%	0.762	S	S	*	*				-143	177.2	119.5	33.5	-15.7	0	0	0	115.2
406	A	26.6	Very low	35.4	Very low	95 Å²	95	128.7 Å²	128.7	79%	0.785	78%	0.781	S	S	*	*			trans	-98.5	172.7	-170.7	0	0	0	0	0	113.7
407	P	49.3	Very low	34.2	Very low	125 Å²	125	127.8 Å²	127.8	81%	0.812	79%	0.786	S	S	*	*			trans	-102.5	154.1	-162.3	38.2	-34.3	0	0	0	115.8
408	S	25.5	Very low	33.2	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	79%	0.787	S	S	*	*			trans	-164.3	144	153.2	72.4	0	0	0	0	114.4
409	H	27.6	Very low	32.4	Very low	194 Å²	194	121 Å²	121	90%	0.898	79%	0.786	S	S	*	*			trans	57.4	171.1	161.1	-57.9	-60.2	0	0	0	120.4
410	G	25.3	Very low	32	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	80%	0.795	S	S	*	*			trans	-138.9	-133.6	-157.7	0	0	0	0	0	117.3
411	P	40.9	Very low	31.3	Very low	127 Å²	127	127.4 Å²	127.4	83%	0.825	79%	0.794	S	S	*	*			trans	-104.1	177.5	-130	46.8	-42.1	0	0	0	113.1
412	P	38.4	Very low	30.7	Very low	106 Å²	106	130.8 Å²	130.8	69%	0.688	80%	0.798	S	S	*	*				-154.9	161.5	67.3	42.1	-21.2	0	0	0	120
413	S	29.5	Very low	30.4	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	79%	0.79	S	S	*	*			trans	60.2	163.4	141.5	64.8	0	0	0	0	120.9
414	V	28.8	Very low	30.1	Very low	124 Å²	124	129 Å²	129	75%	0.752	79%	0.789	S	S	*	*			cis	-149.2	176.1	-2.7	-121.2	0	0	0	0	106.8
415	T	26.9	Very low	29.6	Very low	122 Å²	122	129.1 Å²	129.1	75%	0.748	79%	0.785	S	S	*	*			cis	-150	156.4	1.6	8.7	0	0	0	0	105.8
416	D	28.7	Very low	29.2	Very low	150 Å²	150	129.5 Å²	129.5	80%	0.802	78%	0.78	S	S	*	*			cis	85.9	106.3	9.8	-154	3.3	0	0	0	117.4
417	S	26.8	Very low	29	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	78%	0.78	S	S	*	*			trans	174.1	137.6	170.6	-178.2	0	0	0	0	109.9
418	A	26.9	Very low	27.9	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	78%	0.776	S	S	*	*			cis	-159.1	176.9	-14.7	0	0	0	0	0	111.2
419	A	27.1	Very low	27.7	Very low	92 Å²	92	134.8 Å²	134.8	76%	0.76	78%	0.784	S	S	*	*			trans	-77.1	-172.5	-176.2	0	0	0	0	0	113.7
420	E	28.7	Very low	27.6	Very low	185 Å²	185	130.9 Å²	130.9	86%	0.864	78%	0.777	S	S	*	*			cis	-149.1	146.9	32.4	-68.3	177.7	147.2	0	0	110.3
421	Y	25.4	Very low	27.5	Very low	198 Å²	198	131.3 Å²	131.3	78%	0.776	78%	0.782	S	S	*	*				94.8	111	53.3	-140.6	-74.7	0	0	0	114
422	F	24.1	Very low	26.7	Very low	194 Å²	194	130.5 Å²	130.5	85%	0.851	78%	0.779	S	S	*	*				178.8	164.2	127.3	-111.3	-81.3	0	0	0	113.3
423	D	29.5	Very low	26	Very low	147 Å²	147	131 Å²	131	79%	0.786	78%	0.784	S	S	*	*			trans	-142.8	147.8	-166.6	-175.8	21.5	0	0	0	111.3
424	A	25.1	Very low	25.8	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	77%	0.774	S	S	*	*			trans	-166.3	151.4	176.7	0	0	0	0	0	112.4
425	N	25.2	Very low	25.7	Very low	144 Å²	144	131.5 Å²	131.5	77%	0.77	78%	0.776	S	S	*	*			trans	-126.6	-173.3	-167.4	-163.1	62.9	0	0	0	113
426	D	26.7	Very low	25.5	Very low	133 Å²	133	131 Å²	131	71%	0.711	77%	0.772	S	S	*	*			trans	107.3	111.4	155.5	-57.2	-16.1	0	0	0	120
427	D	22.7	Very low	25.4	Very low	145 Å²	145	129.9 Å²	129.9	78%	0.775	78%	0.776	S	S	*	*			trans	60.3	119.7	133	-78.1	3.8	0	0	0	126.7
428	V	25.6	Very low	25.4	Very low	122 Å²	122	130.9 Å²	130.9	74%	0.739	77%	0.772	S	S	*	*				43	118	118.5	-174.5	0	0	0	0	119.9
429	L	22	Very low	25.6	Very low	165 Å²	165	134.8 Å²	134.8	86%	0.864	78%	0.775	S	S	*	*				-170	161.5	106.3	-164.2	52	0	0	0	113.9
430	C	24.6	Very low	25.8	Very low	113 Å²	113	134.7 Å²	134.7	76%	0.764	77%	0.768	S	S	*	*			trans	-67.2	150.7	-175.9	-177.9	0	0	0	0	116.4
431	G	23.1	Very low	25.7	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	76%	0.76	S	S	*	*			trans	-148.2	128.9	159.6	0	0	0	0	0	110.4
432	S	24.5	Very low	25.9	Very low	110 Å²	110	128 Å²	128	77%	0.769	77%	0.767	S	S	*	*			trans	-113.9	155.4	-163.4	-173.1	0	0	0	0	114.4
433	S	23.3	Very low	26.2	Very low	115 Å²	115	123.8 Å²	123.8	80%	0.804	76%	0.762	S	S	*	*			trans	-148.9	130.9	142	-170.5	0	0	0	0	111.4
434	S	25.9	Very low	26.3	Very low	75 Å²	75	124.5 Å²	124.5	52%	0.524	77%	0.765	S	S	.	*			trans	-78.9	-174.1	169.7	39.6	0	0	0	0	110.8
435	E	26.1	Very low	26.4	Very low	167 Å²	167	122.4 Å²	122.4	78%	0.78	75%	0.753	S	S	*	*			cis	-148.7	141.3	15.4	-6.8	-140.8	83.3	0	0	111
436	V	24.7	Very low	26.7	Very low	112 Å²	112	121.3 Å²	121.3	68%	0.679	76%	0.757	S	S	*	*				64.6	119.2	80.2	-176.8	0	0	0	0	115
437	S	24.8	Very low	26.7	Very low	125 Å²	125	121.8 Å²	121.8	87%	0.874	77%	0.765	S	S	*	*			trans	-178.8	95.1	142.1	-81.5	0	0	0	0	112.5
438	D	27	Very low	27	Very low	138 Å²	138	119.7 Å²	119.7	74%	0.738	76%	0.761	S	S	*	*			trans	-57.1	-179.2	173.3	-60.7	-58.3	0	0	0	119.1
439	E	31.4	Very low	27.2	Very low	175 Å²	175	120.7 Å²	120.7	82%	0.818	76%	0.762	S	S	*	*			trans	69.1	148.8	152.7	-69.8	-73.7	102.3	0	0	120.3
440	S	32.4	Very low	27.7	Very low	90 Å²	90	118 Å²	118	63%	0.629	76%	0.757	S	S	*	*			cis	-170	174.4	-27.3	49.8	0	0	0	0	112.8
441	G	25.7	Very low	28.2	Very low	68 Å²	68	116.8 Å²	116.8	70%	0.701	74%	0.741	S	S	*	*			trans	82.1	142.9	166.1	0	0	0	0	0	116.6
442	L	30.2	Very low	29	Very low	175 Å²	175	117.4 Å²	117.4	92%	0.916	73%	0.73	S	S	*	*			cis	-141.4	163.6	5.9	-69.7	169.4	0	0	0	111
443	S	28.9	Very low	30	Very low	105 Å²	105	118.2 Å²	118.2	73%	0.734	72%	0.722	S	S	*	*			trans	-70.8	179.6	167.5	53.3	0	0	0	0	111.6
444	D	32	Very low	31.1	Very low	162 Å²	162	120.7 Å²	120.7	87%	0.866	72%	0.721	S	S	*	*			cis	-160.6	164.8	23.3	-156.8	29.3	0	0	0	109.1
445	G	27.5	Very low	32.4	Very low	52 Å²	52	118.6 Å²	118.6	54%	0.536	71%	0.711	S	S	.	*			cis	-168.7	146	-2.2	0	0	0	0	0	111.5
446	S	31.2	Very low	34.1	Very low	122 Å²	122	113 Å²	113	85%	0.853	68%	0.684	S	S	*	*			trans	-167.3	114.9	168	-77.6	0	0	0	0	108	S448	S446-S448 PolarHBondContact O-N 2.83Å
447	T	26.4	Very low	35.8	Very low	143 Å²	143	109.3 Å²	109.3	88%	0.877	67%	0.666	S	S	*	*			trans	-67.2	105.1	-169.6	51.2	0	0	0	0	112.1
448	S	29.1	Very low	37.7	Very low	100 Å²	100	106 Å²	106	70%	0.699	64%	0.643	S	S	*	*			trans	-97.1	108.9	172	178.7	0	0	0	0	109.6	S446 S450	S446-S448 PolarHBondContact O-N 2.83Å; S448-S450 VanDerWaalsContact C-N 3.35Å; S448-S450 PolarHBondContact O-N 3Å
449	N	29.6	Very low	39.6	Very low	143 Å²	143	101.3 Å²	101.3	77%	0.765	62%	0.619	S	S	*	*			trans	-71.9	91.3	169.4	-73.8	9.7	0	0	0	109.2	E451	N449-E451 PolarHBondContact O-N 2.76Å; N449-E451 VanDerWaalsContact O-N 3.14Å
450	S	33.8	Very low	41.4	Very low	109 Å²	109	93.8 Å²	93.8	76%	0.762	59%	0.585	S	S	*	*			trans	-81.7	78.5	174.4	55.9	0	0	0	0	111	S448	S448-S450 VanDerWaalsContact C-N 3.35Å; S448-S450 PolarHBondContact O-N 3Å
451	E	34.5	Very low	43.2	Very low	88 Å²	88	98.6 Å²	98.6	41%	0.411	59%	0.59	S	S	.	*			trans	-78.8	144.6	156.7	-70.6	-174.2	-149.1	0	0	108.9	N449 R720	N449-E451 PolarHBondContact O-N 2.76Å; N449-E451 VanDerWaalsContact O-N 3.14Å; E451-R720 IonicContact OE1-CZ 2.87Å; E451-R720 VanDerWaalsContact OE1-CZ 3.31Å; E451-R720 IonicContact OE1-NH1 3.33Å; E451-R720 PolarHBondContact OE1-NH1 3.43Å; E451-R720 IonicContact OE1-NH2 2.71Å; E451-R720 PolarHBondContact OE1-NH2 3.29Å; E451-R720 IonicContact OE2-NH1 2.77Å; E451-R720 PolarHBondContact OE2-NH1 3.09Å
452	P	39	Very low	45.4	Very low	92 Å²	92	101.1 Å²	101.1	60%	0.597	58%	0.581	S	S	*	*			trans	-70.1	142.5	-174.4	27	-34.3	0	0	0	112.3	E454 G455	P452-E454 PolarHBondContact O-N 2.78Å; P452-G455 PolarHBondContact O-N 2.93Å
453	E	46.3	Very low	47.7	Very low	126 Å²	126	93.6 Å²	93.6	59%	0.589	54%	0.541	S	S	*	.	H	α-helix	trans	-59.2	-26.1	-173.5	-67.7	-166	154.6	0	0	113.7	G455 H456 A457 R695	E453-G455 VanDerWaalsContact C-N 3.33Å; E453-G455 PolarHBondContact O-N 2.73Å; E453-H456 PolarHBondContact O-N 2.83Å; E453-A457 PolarHBondContact O-N 2.94Å; E453-R695 IonicContact OE1-CZ 2.75Å; E453-R695 VanDerWaalsContact OE1-CZ 3.22Å; E453-R695 IonicContact OE1-NH1 3.19Å; E453-R695 PolarHBondContact OE1-NH1 2.88Å; E453-R695 IonicContact OE1-NH2 3.41Å; E453-R695 PolarHBondContact OE1-NH2 3.41Å; E453-R695 IonicContact OE2-NH1 2.67Å
454	E	45.9	Very low	49.9	Very low	167 Å²	167	94.7 Å²	94.7	78%	0.78	53%	0.529	S	S	*	.	H	α-helix	trans	-62.5	-36.4	172.8	-61.5	-167.9	122.5	0	0	113.3	P452 A457 S458	P452-E454 PolarHBondContact O-N 2.78Å; E454-A457 PolarHBondContact O-N 2.75Å; E454-S458 WeakPolarHBondContact O-CB 3.38Å; E454-S458 PolarHBondContact O-N 3.02Å
455	G	54.8	Low	51.9	Low	31 Å²	31	88.6 Å²	88.6	32%	0.32	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-40.3	178.3	0	0	0	0	0	112	P452 E453 T459	P452-G455 PolarHBondContact O-N 2.93Å; E453-G455 VanDerWaalsContact C-N 3.33Å; E453-G455 PolarHBondContact O-N 2.73Å; G455-T459 WeakPolarHBondContact O-CB 3.29Å; G455-T459 PolarHBondContact O-N 3.27Å; G455-T459 PolarHBondContact O-OG1 2.88Å
456	H	59.8	Low	54.2	Low	49 Å²	49	87.4 Å²	87.4	23%	0.227	48%	0.484	C	S	.	.	H	α-helix	trans	-64.7	-49	174.8	-67.2	-78.3	0	0	0	111.5	E453 S458 T459 T460 Q707	E453-H456 PolarHBondContact O-N 2.83Å; H456-S458 VanDerWaalsContact C-N 3.3Å; H456-S458 PolarHBondContact O-N 3.21Å; H456-T459 PolarHBondContact O-N 3.13Å; H456-T459 VanDerWaalsContact O-N 3.1Å; H456-T460 PolarHBondContact O-N 3.04Å; H456-T460 PolarHBondContact O-OG1 2.82Å; H456-Q707 PolarHBondContact ND1-NE2 3.07Å; H456-Q707 VanDerWaalsContact ND1-NE2 3.11Å
457	A	61	Low	56.4	Low	35 Å²	35	81.9 Å²	81.9	29%	0.289	45%	0.445	S	S	.	.	H	α-helix	trans	-60.9	-37.7	178.7	0	0	0	0	0	112.9	E453 E454 R461	E453-A457 PolarHBondContact O-N 2.94Å; E454-A457 PolarHBondContact O-N 2.75Å; A457-R461 VanDerWaalsContact O-CG 3.27Å; A457-R461 WeakPolarHBondContact O-CG 3.44Å; A457-R461 PolarHBondContact O-N 2.79Å
458	S	64.7	Low	58.7	Low	56 Å²	56	79.4 Å²	79.4	39%	0.392	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-43.7	172.8	-174.3	0	0	0	0	112	E454 H456 R461 K462	E454-S458 WeakPolarHBondContact O-CB 3.38Å; E454-S458 PolarHBondContact O-N 3.02Å; H456-S458 VanDerWaalsContact C-N 3.3Å; H456-S458 PolarHBondContact O-N 3.21Å; S458-R461 WeakPolarHBondContact O-CB 3.4Å; S458-R461 PolarHBondContact O-N 2.67Å; S458-K462 WeakPolarHBondContact O-CG 3.38Å; S458-K462 PolarHBondContact O-N 2.73Å; S458-K462 VanDerWaalsContact O-N 3.1Å
459	T	68.3	Low	60.9	Low	40 Å²	40	84.3 Å²	84.3	25%	0.245	44%	0.437	C	S	.	.	H	α-helix	trans	-69.4	-43.2	-177.1	-57.8	0	0	0	0	112.3	G455 H456 R461 K462 Y463	G455-T459 WeakPolarHBondContact O-CB 3.29Å; G455-T459 PolarHBondContact O-N 3.27Å; G455-T459 PolarHBondContact O-OG1 2.88Å; H456-T459 PolarHBondContact O-N 3.13Å; H456-T459 VanDerWaalsContact O-N 3.1Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 3.34Å; T459-K462 WeakPolarHBondContact O-CA 3.45Å; T459-K462 WeakPolarHBondContact O-CB 3.34Å; T459-K462 PolarHBondContact O-N 3.46Å; T459-Y463 HydrophobicContact CG2-CD2 4.43Å; T459-Y463 HydrophobicContact CG2-CE1 3.89Å; T459-Y463 HydrophobicContact CG2-CE2 3.77Å; T459-Y463 VanDerWaalsContact CG2-CZ 3.48Å; T459-Y463 PolarHBondContact O-N 3.43Å
460	T	68.6	Low	62.9	Low	16 Å²	16	79.6 Å²	79.6	10%	0.098	41%	0.414	C	S	.	.	H	α-helix	trans	-64.4	-31.9	175.6	-60.8	0	0	0	0	112.3	H456 R464 E705	H456-T460 PolarHBondContact O-N 3.04Å; H456-T460 PolarHBondContact O-OG1 2.82Å; T460-R464 WeakPolarHBondContact O-CB 3.39Å; T460-R464 PolarHBondContact O-N 3.45Å; T460-E705 PolarHBondContact OG1-OE1 2.65Å
461	R	69.2	Low	64.5	Low	192 Å²	192	78.3 Å²	78.3	73%	0.725	40%	0.402	S	S	*	.	H	α-helix	trans	-64.7	-42.2	168.7	-71.2	171.5	-170.6	177.4	5.8	112.3	A457 S458 T459 R464 A465	A457-R461 VanDerWaalsContact O-CG 3.27Å; A457-R461 WeakPolarHBondContact O-CG 3.44Å; A457-R461 PolarHBondContact O-N 2.79Å; S458-R461 WeakPolarHBondContact O-CB 3.4Å; S458-R461 PolarHBondContact O-N 2.67Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 3.34Å; R461-R464 PolarHBondContact O-N 2.97Å; R461-A465 WeakPolarHBondContact O-CB 3.33Å; R461-A465 PolarHBondContact O-N 2.93Å
462	K	73.6	Confident	65.8	Low	121 Å²	121	78.7 Å²	78.7	53%	0.526	41%	0.407	S	S	.	.	H	α-helix	trans	-60.2	-47.7	175	-66.4	171.6	-172.9	173.8	0	111.1	S458 T459 R464 A465 S466	S458-K462 WeakPolarHBondContact O-CG 3.38Å; S458-K462 PolarHBondContact O-N 2.73Å; S458-K462 VanDerWaalsContact O-N 3.1Å; T459-K462 WeakPolarHBondContact O-CA 3.45Å; T459-K462 WeakPolarHBondContact O-CB 3.34Å; T459-K462 PolarHBondContact O-N 3.46Å; K462-R464 PolarHBondContact O-N 2.71Å; K462-A465 PolarHBondContact O-N 3.25Å; K462-S466 PolarHBondContact O-N 2.86Å; K462-S466 PolarHBondContact O-OG 3.22Å
463	Y	77.9	Confident	66.3	Low	16 Å²	16	80.6 Å²	80.6	6%	0.063	41%	0.413	C	S	.	.	H	α-helix	trans	-55.6	-51.7	176.1	-61.6	-27.7	0	0	0	111.7	T459 A465 S466 I467 G722 F730	T459-Y463 HydrophobicContact CG2-CD2 4.43Å; T459-Y463 HydrophobicContact CG2-CE1 3.89Å; T459-Y463 HydrophobicContact CG2-CE2 3.77Å; T459-Y463 VanDerWaalsContact CG2-CZ 3.48Å; T459-Y463 PolarHBondContact O-N 3.43Å; Y463-A465 VanDerWaalsContact C-N 3.32Å; Y463-A465 PolarHBondContact O-N 3.2Å; Y463-S466 PolarHBondContact O-N 2.91Å; Y463-S466 VanDerWaalsContact O-N 3.13Å; Y463-I467 VanDerWaalsContact O-CG1 3.29Å; Y463-I467 WeakPolarHBondContact O-CG1 3.42Å; Y463-I467 PolarHBondContact O-N 3.01Å; Y463-G722 VanDerWaalsContact CE2-C 3.47Å; Y463-G722 PolarHBondContact OH-N 3.46Å; Y463-F730 HydrophobicContact CD1-CB 3.92Å; Y463-F730 AromaticContact CD1-CD1 3.68Å; Y463-F730 HydrophobicContact CD1-CD1 3.68Å; Y463-F730 HydrophobicContact CD1-CG 4.18Å; Y463-F730 AromaticContact CE1-CD1 4Å; Y463-F730 HydrophobicContact CE1-CD1 4Å
464	R	74.3	Confident	66.8	Low	129 Å²	129	78.9 Å²	78.9	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-61.5	-38.1	-179.6	-159.1	178.4	-169.5	82.4	9.8	112.5	T460 R461 K462 S468 E727	T460-R464 WeakPolarHBondContact O-CB 3.39Å; T460-R464 PolarHBondContact O-N 3.45Å; R461-R464 PolarHBondContact O-N 2.97Å; K462-R464 PolarHBondContact O-N 2.71Å; R464-S468 WeakPolarHBondContact O-CB 3.35Å; R464-S468 PolarHBondContact O-N 2.75Å; R464-S468 VanDerWaalsContact O-N 3.12Å; R464-S468 PolarHBondContact O-OG 2.83Å; R464-S468 VanDerWaalsContact O-OG 3.11Å; R464-E727 IonicContact CZ-OE1 3.41Å; R464-E727 IonicContact CZ-OE2 3.88Å; R464-E727 VanDerWaalsContact CZ-OE2 3.25Å; R464-E727 IonicContact NE-OE2 3.65Å; R464-E727 IonicContact NH1-OE1 2.66Å; R464-E727 PolarHBondContact NH1-OE1 3.39Å; R464-E727 IonicContact NH1-OE2 2.8Å; R464-E727 PolarHBondContact NH1-OE2 3.21Å; R464-E727 IonicContact NH2-OE1 3.62Å; R464-E727 PolarHBondContact NH2-OE1 3.18Å; R464-E727 IonicContact NH2-OE2 3.3Å; R464-E727 PolarHBondContact NH2-OE2 3.44Å
465	A	74.9	Confident	67.1	Low	34 Å²	34	76.6 Å²	76.6	28%	0.281	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-31.3	175.6	0	0	0	0	0	113.5	R461 K462 Y463 S468 R469	R461-A465 WeakPolarHBondContact O-CB 3.33Å; R461-A465 PolarHBondContact O-N 2.93Å; K462-A465 PolarHBondContact O-N 3.25Å; Y463-A465 VanDerWaalsContact C-N 3.32Å; Y463-A465 PolarHBondContact O-N 3.2Å; A465-S468 PolarHBondContact O-OG 3.22Å; A465-R469 WeakPolarHBondContact O-CD 3.47Å; A465-R469 WeakPolarHBondContact O-CG 3.45Å; A465-R469 PolarHBondContact O-N 2.95Å
466	S	75.1	Confident	67.2	Low	26 Å²	26	80.7 Å²	80.7	18%	0.182	43%	0.429	C	S	.	.	H	α-helix	trans	-77.2	-40.5	174.6	-65.8	0	0	0	0	112.6	K462 Y463 S468 R469 T470 F730	K462-S466 PolarHBondContact O-N 2.86Å; K462-S466 PolarHBondContact O-OG 3.22Å; Y463-S466 PolarHBondContact O-N 2.91Å; Y463-S466 VanDerWaalsContact O-N 3.13Å; S466-S468 VanDerWaalsContact C-N 3.33Å; S466-S468 PolarHBondContact O-N 2.81Å; S466-R469 PolarHBondContact O-N 2.76Å; S466-T470 PolarHBondContact O-N 3.2Å; S466-T470 PolarHBondContact O-OG1 2.88Å; S466-F730 VanDerWaalsContact OG-CE2 3.27Å; S466-F730 WeakPolarHBondContact OG-CE2 3.24Å; S466-F730 WeakPolarHBondContact OG-CZ 3.4Å
467	I	77.6	Confident	67.3	Low	7 Å²	7	87.5 Å²	87.5	4%	0.036	46%	0.457	C	S	.	.	H	α-helix	trans	-64.8	-37	178	-67.9	163.9	0	0	0	111.2	Y463 T470 E727 G728 K742	Y463-I467 VanDerWaalsContact O-CG1 3.29Å; Y463-I467 WeakPolarHBondContact O-CG1 3.42Å; Y463-I467 PolarHBondContact O-N 3.01Å; I467-T470 PolarHBondContact O-N 3.45Å; I467-E727 WeakPolarHBondContact CG2-O 3.22Å; I467-G728 WeakPolarHBondContact CD1-O 3.29Å; I467-K742 PolarHBondContact O-NZ 3.09Å
468	S	74.6	Confident	67.9	Low	91 Å²	91	91.4 Å²	91.4	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-74.1	-33.9	177.1	64.6	0	0	0	0	113.7	R464 A465 S466 T470	R464-S468 WeakPolarHBondContact O-CB 3.35Å; R464-S468 PolarHBondContact O-N 2.75Å; R464-S468 VanDerWaalsContact O-N 3.12Å; R464-S468 PolarHBondContact O-OG 2.83Å; R464-S468 VanDerWaalsContact O-OG 3.11Å; A465-S468 PolarHBondContact O-OG 3.22Å; S466-S468 VanDerWaalsContact C-N 3.33Å; S466-S468 PolarHBondContact O-N 2.81Å; S468-T470 VanDerWaalsContact C-N 3.31Å
469	R	75.6	Confident	68.7	Low	202 Å²	202	91.3 Å²	91.3	76%	0.762	48%	0.48	S	S	*	.	H	α-helix	trans	-71.4	-22.9	171.5	-71.2	171.2	-164.8	-177.8	4.6	113.5	A465 S466 P471	A465-R469 WeakPolarHBondContact O-CD 3.47Å; A465-R469 WeakPolarHBondContact O-CG 3.45Å; A465-R469 PolarHBondContact O-N 2.95Å; S466-R469 PolarHBondContact O-N 2.76Å; R469-P471 VanDerWaalsContact O-CD 3.26Å; R469-P471 WeakPolarHBondContact O-CD 3.23Å
470	T	71.7	Confident	69.5	Low	45 Å²	45	92.8 Å²	92.8	28%	0.276	50%	0.503	S	S	.	.	S	Bend	trans	-75.2	112.5	-180	-58.8	0	0	0	0	109.5	S466 I467 S468 C739 K742	S466-T470 PolarHBondContact O-N 3.2Å; S466-T470 PolarHBondContact O-OG1 2.88Å; I467-T470 PolarHBondContact O-N 3.45Å; S468-T470 VanDerWaalsContact C-N 3.31Å; T470-C739 HydrophobicContact CG2-CB 3.95Å; T470-C739 WeakPolarHBondContact OG1-CB 3.37Å; T470-K742 PolarHBondContact O-NZ 3.38Å
471	P	66.7	Low	70.7	Confident	81 Å²	81	95.2 Å²	95.2	53%	0.526	51%	0.511	S	S	.	.			trans	-67.4	148.8	-178.7	29.4	-35.8	0	0	0	111.3	R469 N473	R469-P471 VanDerWaalsContact O-CD 3.26Å; R469-P471 WeakPolarHBondContact O-CD 3.23Å; P471-N473 WeakPolarHBondContact CB-OD1 3.46Å; P471-N473 VanDerWaalsContact CG-OD1 3.32Å; P471-N473 WeakPolarHBondContact CG-OD1 3.37Å; P471-N473 PolarHBondContact O-N 3.32Å
472	N	63	Low	71.9	Confident	97 Å²	97	88.4 Å²	88.4	52%	0.519	49%	0.485	S	S	.	.			trans	-77.4	71.3	176.9	-69.4	3.6	0	0	0	110.1	V474 K742	N472-V474 PolarHBondContact O-N 2.87Å; N472-V474 VanDerWaalsContact O-N 3.13Å; N472-K742 WeakPolarHBondContact OD1-CE 3.5Å; N472-K742 PolarHBondContact OD1-NZ 2.9Å
473	N	49	Very low	72.8	Confident	132 Å²	132	87.8 Å²	87.8	71%	0.706	49%	0.492	S	S	*	.			trans	-70.5	-2.6	-176.2	-73.1	-3.8	0	0	0	114.5	P471 V475	P471-N473 WeakPolarHBondContact CB-OD1 3.46Å; P471-N473 VanDerWaalsContact CG-OD1 3.32Å; P471-N473 WeakPolarHBondContact CG-OD1 3.37Å; P471-N473 PolarHBondContact O-N 3.32Å; N473-V475 VanDerWaalsContact C-N 3.28Å; N473-V475 PolarHBondContact O-N 3.13Å
474	V	56.4	Low	73.6	Confident	90 Å²	90	90.3 Å²	90.3	55%	0.545	51%	0.508	S	S	.	.			trans	-76.8	82.1	171.5	-172.4	0	0	0	0	108.9	N472 P476	N472-V474 PolarHBondContact O-N 2.87Å; N472-V474 VanDerWaalsContact O-N 3.13Å; V474-P476 WeakPolarHBondContact O-CD 3.48Å
475	V	52.5	Low	74.7	Confident	118 Å²	118	84.5 Å²	84.5	72%	0.715	49%	0.487	S	S	*	.			trans	-60.9	125	160.2	179.1	0	0	0	0	107.1	N473 K477	N473-V475 VanDerWaalsContact C-N 3.28Å; N473-V475 PolarHBondContact O-N 3.13Å; V475-K477 PolarHBondContact O-N 3.47Å
476	P	56.3	Low	75.7	Confident	118 Å²	118	87.1 Å²	87.1	77%	0.766	50%	0.501	S	S	*	.			trans	-62.2	102.6	176.1	-22.9	34.5	0	0	0	110.1	V474 S478	V474-P476 WeakPolarHBondContact O-CD 3.48Å; P476-S478 PolarHBondContact O-N 3.48Å
477	K	63.6	Low	76.7	Confident	191 Å²	191	86.6 Å²	86.6	83%	0.83	50%	0.499	S	S	*	.			trans	-62	127.6	166.5	-66.9	-177.1	-178.7	177.5	0	107	V475 T479	V475-K477 PolarHBondContact O-N 3.47Å; K477-T479 PolarHBondContact O-N 3.4Å; K477-T479 VanDerWaalsContact O-N 3.08Å
478	S	72	Confident	77.6	Confident	118 Å²	118	89.7 Å²	89.7	83%	0.825	52%	0.519	S	S	*	.			trans	-63.3	114.6	175.5	-174.9	0	0	0	0	109.1	P476 G480	P476-S478 PolarHBondContact O-N 3.48Å; S478-G480 PolarHBondContact O-N 2.67Å
479	T	82.1	Confident	78.5	Confident	53 Å²	53	86.6 Å²	86.6	33%	0.325	50%	0.497	S	S	.	.			trans	-78.3	-7.2	177.7	52.4	0	0	0	0	112.5	K477 R481 E762	K477-T479 PolarHBondContact O-N 3.4Å; K477-T479 VanDerWaalsContact O-N 3.08Å; T479-R481 PolarHBondContact O-N 2.8Å; T479-R481 WeakPolarHBondContact OG1-CB 3.48Å; T479-R481 PolarHBondContact OG1-N 3.4Å; T479-E762 VanDerWaalsContact CB-OE1 3.29Å; T479-E762 WeakPolarHBondContact CB-OE1 3.44Å; T479-E762 WeakPolarHBondContact CG2-OE1 3.22Å; T479-E762 PolarHBondContact OG1-OE1 3.1Å
480	G	85.7	Confident	79.2	Confident	72 Å²	72	78.2 Å²	78.2	74%	0.742	47%	0.469	S	S	*	.	S	Bend	trans	72.7	4.1	-170	0	0	0	0	0	114.2	S478	S478-G480 PolarHBondContact O-N 2.67Å
481	R	92.3	Very high	79.8	Confident	67 Å²	67	81.1 Å²	81.1	25%	0.253	48%	0.483	S	S	.	.	S	Bend	trans	-99.1	163.7	-177.2	-57.2	177.2	172.7	-79.8	5	111.7	T479 I585 E762 E765	T479-R481 PolarHBondContact O-N 2.8Å; T479-R481 WeakPolarHBondContact OG1-CB 3.48Å; T479-R481 PolarHBondContact OG1-N 3.4Å; R481-I585 PolarHBondContact NH2-O 2.89Å; R481-E762 HydrophobicContact CB-CG 3.77Å; R481-E762 WeakPolarHBondContact CD-OE1 3.45Å; R481-E762 HydrophobicContact CG-CG 4.42Å; R481-E765 WeakPolarHBondContact CB-OE2 3.24Å; R481-E765 WeakPolarHBondContact CG-OE2 3.47Å; R481-E765 IonicContact NH1-OE2 3.74Å; R481-E765 PolarHBondContact NH1-OE2 3.08Å
482	R	94.3	Very high	80.4	Confident	49 Å²	49	77.7 Å²	77.7	19%	0.185	46%	0.46	C	S	.	.			trans	-59.6	142.4	178.8	70.2	-175.2	-174.7	165.8	6.8	112.9	M761 E765 E789	R482-M761 PolarHBondContact NE-O 2.69Å; R482-M761 PolarHBondContact NH2-O 2.97Å; R482-E765 WeakPolarHBondContact CB-OE1 3.26Å; R482-E765 HydrophobicContact CG-CB 4.38Å; R482-E765 HydrophobicContact CG-CG 4.33Å; R482-E765 WeakPolarHBondContact CG-OE1 3.07Å; R482-E765 PolarHBondContact N-OE1 3Å; R482-E789 IonicContact CZ-OE1 3.25Å; R482-E789 IonicContact NH1-OE1 3.12Å; R482-E789 PolarHBondContact NH1-OE1 3.42Å; R482-E789 IonicContact NH2-OE1 2.68Å; R482-E789 PolarHBondContact NH2-OE1 3.32Å
483	T	93.1	Very high	80.9	Confident	108 Å²	108	76.5 Å²	76.5	66%	0.663	46%	0.46	S	S	*	.	S	Bend	trans	-110.5	3.6	179.2	52.6	0	0	0	0	113.6	M761	T483-M761 WeakPolarHBondContact O-CE 3.46Å
484	T	95.1	Very high	81.7	Confident	68 Å²	68	77 Å²	77	42%	0.417	46%	0.457	S	S	.	.	S	Bend	trans	-145.9	166.4	176.7	56.4	0	0	0	0	110.2	Y753	T484-Y753 HydrophobicContact CG2-CE2 3.8Å
485	L	96.8	Very high	82.5	Confident	7 Å²	7	73.6 Å²	73.6	4%	0.037	44%	0.437	C	S	.	.			trans	-94.3	160.9	168.3	-53.2	-179.5	0	0	0	110.6	A487 P521 Y753 Y754 F756 M761	L485-A487 PolarHBondContact O-N 2.94Å; L485-P521 HydrophobicContact CD1-CG 4.03Å; L485-Y753 HydrophobicContact CB-CD1 3.63Å; L485-Y753 HydrophobicContact CB-CE1 4.02Å; L485-Y753 HydrophobicContact CB-CG 4.45Å; L485-Y753 HydrophobicContact CD1-CD1 4.08Å; L485-Y753 HydrophobicContact CD1-CG 4.44Å; L485-Y753 HydrophobicContact CG-CD1 3.81Å; L485-Y753 HydrophobicContact CG-CG 4.19Å; L485-Y754 HydrophobicContact CD1-CD2 3.79Å; L485-Y754 HydrophobicContact CD1-CE2 4Å; L485-F756 HydrophobicContact CD1-CD2 4.21Å; L485-F756 HydrophobicContact CD1-CE2 4.12Å; L485-M761 HydrophobicContact CD2-CB 4.42Å; L485-M761 HydrophobicContact CD2-CG 4.33Å
486	P	96.1	Very high	83.2	Confident	90 Å²	90	70 Å²	70	58%	0.584	42%	0.424	S	S	*	.	S	Bend	trans	-61.9	-27.7	178.1	-22	34.1	0	0	0	114.3
487	A	97.2	Very high	83.8	Confident	15 Å²	15	65.7 Å²	65.7	12%	0.124	39%	0.394	C	S	.	.	S	Bend	trans	-139.7	151.9	175.9	0	0	0	0	0	111.7	L485 E789	L485-A487 PolarHBondContact O-N 2.94Å; A487-E789 PolarHBondContact N-O 3.23Å
488	P	96.2	Very high	84	Confident	71 Å²	71	60.6 Å²	60.6	46%	0.461	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.7	162.2	164.9	-22.2	34.7	0	0	0	112.8	L752	P488-L752 CarbonylContact C-O 3.34Å; P488-L752 WeakPolarHBondContact CA-O 3.49Å; P488-L752 HydrophobicContact CB-CB 4.33Å
489	C	93.6	Very high	83.8	Confident	27 Å²	27	57.5 Å²	57.5	18%	0.182	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-65.5	140.9	172.3	62.9	0	0	0	0	111.8	Y571 L752 Y754	C489-Y571 HydrophobicContact CB-CE1 4.5Å; C489-Y571 HydrophobicContact CB-CE2 4.26Å; C489-Y571 WeakPolarHBondContact CB-OH 3.21Å; C489-Y571 PolarHBondContact SG-OH 2.96Å; C489-L752 PolarHBondContact N-O 2.87Å; C489-L752 PolarHBondContact SG-O 2.94Å; C489-L752 VanDerWaalsContact SG-O 3.38Å; C489-Y754 VanDerWaalsContact CA-CZ 3.49Å; C489-Y754 HydrophobicContact CB-CD1 3.53Å; C489-Y754 HydrophobicContact CB-CD2 3.75Å; C489-Y754 HydrophobicContact CB-CE1 3.46Å; C489-Y754 VanDerWaalsContact CB-CE1 3.46Å; C489-Y754 HydrophobicContact CB-CE2 3.66Å; C489-Y754 HydrophobicContact CB-CG 3.68Å
490	P	90.8	Very high	83.3	Confident	25 Å²	25	56.2 Å²	56.2	16%	0.162	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.9	147.8	-179.2	30.9	-36.3	0	0	0	111.5	N492 Y571 Y754 L788 V793	P490-N492 PolarHBondContact O-N 3.21Å; P490-Y571 PolarHBondContact O-OH 2.94Å; P490-Y754 WeakPolarHBondContact CD-OH 3.34Å; P490-L788 HydrophobicContact CG-CD1 4.34Å; P490-V793 HydrophobicContact CB-CG2 3.7Å; P490-V793 HydrophobicContact CG-CG2 3.96Å
491	D	83.6	Confident	82.4	Confident	106 Å²	106	54.3 Å²	54.3	57%	0.567	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-66.8	123.6	166.3	177.7	32.5	0	0	0	110.3	S493 H494	D491-S493 VanDerWaalsContact CG-OG 3.28Å; D491-S493 WeakPolarHBondContact OD1-CB 3.27Å; D491-S493 PolarHBondContact OD1-N 3.23Å; D491-S493 PolarHBondContact OD1-OG 3.33Å; D491-S493 WeakPolarHBondContact OD2-CB 3.27Å; D491-S493 PolarHBondContact OD2-OG 2.84Å; D491-H494 PolarHBondContact O-CE1 2.95Å; D491-H494 PolarHBondContact O-ND1 3.27Å
492	N	79.3	Confident	81.1	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.048	34%	0.336	C	S	.	.			trans	-113.6	15.8	176.9	61.6	26.7	0	0	0	113.2	P490 H494 V495 A517 L518 Y571	P490-N492 PolarHBondContact O-N 3.21Å; N492-H494 PolarHBondContact O-N 2.87Å; N492-V495 HydrophobicContact CB-CG2 4.01Å; N492-V495 PolarHBondContact O-N 3.48Å; N492-A517 HydrophobicContact CB-CB 4.37Å; N492-A517 WeakPolarHBondContact CB-O 3.24Å; N492-A517 PolarHBondContact ND2-O 2.99Å; N492-L518 HydrophobicContact CB-CD2 3.95Å; N492-Y571 WeakPolarHBondContact ND2-CE1 3.25Å
493	S	72.8	Confident	79.8	Confident	73 Å²	73	62 Å²	62	51%	0.51	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-41.5	172.2	67.8	0	0	0	0	112.7	D491 V495	D491-S493 VanDerWaalsContact CG-OG 3.28Å; D491-S493 WeakPolarHBondContact OD1-CB 3.27Å; D491-S493 PolarHBondContact OD1-N 3.23Å; D491-S493 PolarHBondContact OD1-OG 3.33Å; D491-S493 WeakPolarHBondContact OD2-CB 3.27Å; D491-S493 PolarHBondContact OD2-OG 2.84Å; S493-V495 VanDerWaalsContact C-N 3.33Å; S493-V495 PolarHBondContact O-N 3.09Å
494	H	66.8	Low	78.3	Confident	142 Å²	142	58.3 Å²	58.3	66%	0.657	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.3	-178.4	69.2	-89.9	0	0	0	114.4	D491 N492 G496	D491-H494 PolarHBondContact O-CE1 2.95Å; D491-H494 PolarHBondContact O-ND1 3.27Å; N492-H494 PolarHBondContact O-N 2.87Å; H494-G496 PolarHBondContact O-N 3.39Å
495	V	72.4	Confident	76.5	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.115	34%	0.344	C	S	.	.			trans	-86.7	97.1	-174.3	-168.7	0	0	0	0	110.3	N492 S493 L497 I500 P515 A517 L518	N492-V495 HydrophobicContact CB-CG2 4.01Å; N492-V495 PolarHBondContact O-N 3.48Å; S493-V495 VanDerWaalsContact C-N 3.33Å; S493-V495 PolarHBondContact O-N 3.09Å; V495-L497 PolarHBondContact O-N 2.82Å; V495-I500 HydrophobicContact CG1-CD1 4.02Å; V495-P515 HydrophobicContact CG1-CB 4.49Å; V495-P515 HydrophobicContact CG1-CG 4.13Å; V495-A517 HydrophobicContact CG2-CB 4.01Å; V495-L518 HydrophobicContact CB-CD1 4.27Å; V495-L518 HydrophobicContact CB-CD2 4.27Å; V495-L518 HydrophobicContact CB-CG 4.2Å; V495-L518 HydrophobicContact CG1-CD1 3.54Å; V495-L518 HydrophobicContact CG1-CD2 4.41Å; V495-L518 HydrophobicContact CG1-CG 3.85Å
496	G	67.3	Low	74.5	Confident	43 Å²	43	64 Å²	64	44%	0.443	38%	0.378	S	S	.	.			trans	-62.8	85.4	-179.7	0	0	0	0	0	114.2	H494 M498 A499 I500	H494-G496 PolarHBondContact O-N 3.39Å; G496-M498 PolarHBondContact O-N 2.96Å; G496-A499 WeakPolarHBondContact O-CA 3.37Å; G496-A499 WeakPolarHBondContact O-CB 3.44Å; G496-A499 PolarHBondContact O-N 3.41Å; G496-I500 PolarHBondContact O-N 3.22Å; G496-I500 VanDerWaalsContact O-N 3.12Å
497	L	69.5	Low	72.9	Confident	26 Å²	26	65.6 Å²	65.6	14%	0.136	38%	0.375	C	S	.	.	H	α-helix	trans	-52.4	-35.5	172.7	-91.9	162.3	0	0	0	112.9	V495 I500 L501 M514 L518 R667	V495-L497 PolarHBondContact O-N 2.82Å; L497-I500 PolarHBondContact O-N 3.07Å; L497-L501 WeakPolarHBondContact O-CG 3.05Å; L497-L501 PolarHBondContact O-N 3.41Å; L497-M514 HydrophobicContact CD2-CE 3.7Å; L497-L518 HydrophobicContact CD1-CD2 4.4Å; L497-L518 HydrophobicContact CD2-CD1 3.83Å; L497-L518 HydrophobicContact CG-CD1 3.92Å; L497-R667 VanDerWaalsContact CD1-NH2 3.33Å
498	M	66.6	Low	71.2	Confident	85 Å²	85	69.1 Å²	69.1	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-53.7	-54.2	168.9	-78.7	-67.3	-153.5	0	0	111.7	G496 I500 L501 Y502 L663	G496-M498 PolarHBondContact O-N 2.96Å; M498-I500 VanDerWaalsContact C-N 3.32Å; M498-I500 PolarHBondContact O-N 3.31Å; M498-L501 PolarHBondContact O-N 3.45Å; M498-L501 VanDerWaalsContact O-N 3.08Å; M498-Y502 HydrophobicContact CB-CD2 4.22Å; M498-Y502 HydrophobicContact CB-CE2 4.2Å; M498-Y502 WeakPolarHBondContact O-CD2 3.19Å; M498-Y502 PolarHBondContact O-N 3.38Å; M498-Y502 HydrophobicContact SD-CE2 4.04Å; M498-L663 HydrophobicContact CE-CB 3.87Å; M498-L663 HydrophobicContact CE-CD1 3.79Å; M498-L663 HydrophobicContact CE-CG 4.34Å; M498-L663 HydrophobicContact SD-CB 4Å; M498-L663 HydrophobicContact SD-CD1 3.81Å; M498-L663 HydrophobicContact SD-CD2 3.93Å; M498-L663 HydrophobicContact SD-CG 4.12Å
499	A	68.1	Low	69.5	Low	52 Å²	52	67.6 Å²	67.6	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-38.6	-178.9	0	0	0	0	0	112	G496 L501 N503	G496-A499 WeakPolarHBondContact O-CA 3.37Å; G496-A499 WeakPolarHBondContact O-CB 3.44Å; G496-A499 PolarHBondContact O-N 3.41Å; A499-L501 VanDerWaalsContact C-N 3.33Å; A499-L501 PolarHBondContact O-N 2.98Å; A499-N503 VanDerWaalsContact O-CB 3.24Å; A499-N503 WeakPolarHBondContact O-CB 3.39Å; A499-N503 PolarHBondContact O-N 3.03Å; A499-N503 PolarHBondContact O-ND2 2.87Å
500	I	72.1	Confident	67.8	Low	26 Å²	26	67.9 Å²	67.9	13%	0.133	39%	0.385	C	S	.	.	H	α-helix	trans	-59.1	-45.6	173	-60.8	172.7	0	0	0	110.3	V495 G496 L497 M498 N504 V512 M514 P515 L518	V495-I500 HydrophobicContact CG1-CD1 4.02Å; G496-I500 PolarHBondContact O-N 3.22Å; G496-I500 VanDerWaalsContact O-N 3.12Å; L497-I500 PolarHBondContact O-N 3.07Å; M498-I500 VanDerWaalsContact C-N 3.32Å; M498-I500 PolarHBondContact O-N 3.31Å; I500-N504 WeakPolarHBondContact O-CB 3.34Å; I500-N504 PolarHBondContact O-N 3.46Å; I500-N504 PolarHBondContact O-ND2 2.81Å; I500-V512 HydrophobicContact CG2-CG1 4.07Å; I500-M514 HydrophobicContact CD1-CE 3.96Å; I500-M514 HydrophobicContact CG2-CE 4.16Å; I500-M514 HydrophobicContact CG2-SD 4.06Å; I500-P515 HydrophobicContact CD1-CG 4.02Å; I500-L518 HydrophobicContact CD1-CD1 3.62Å
501	L	66.5	Low	66.5	Low	33 Å²	33	74.5 Å²	74.5	17%	0.173	41%	0.406	C	S	.	.	H	α-helix	trans	-74.6	-41.7	-177.6	-72.3	164.7	0	0	0	112.6	L497 M498 A499 N503 N504 I505 L509 F626 L663	L497-L501 WeakPolarHBondContact O-CG 3.05Å; L497-L501 PolarHBondContact O-N 3.41Å; M498-L501 PolarHBondContact O-N 3.45Å; M498-L501 VanDerWaalsContact O-N 3.08Å; A499-L501 VanDerWaalsContact C-N 3.33Å; A499-L501 PolarHBondContact O-N 2.98Å; L501-N503 PolarHBondContact O-N 2.95Å; L501-N504 CarbonylContact O-C 3.53Å; L501-N504 WeakPolarHBondContact O-CA 3.1Å; L501-N504 PolarHBondContact O-N 3.32Å; L501-I505 WeakPolarHBondContact O-CG1 3.48Å; L501-I505 PolarHBondContact O-N 2.89Å; L501-L509 HydrophobicContact CD2-CD1 4.18Å; L501-L509 HydrophobicContact CD2-CD2 3.68Å; L501-F626 HydrophobicContact CD1-CE2 4.41Å; L501-F626 HydrophobicContact CD1-CZ 4.5Å; L501-L663 HydrophobicContact CD1-CD2 3.33Å
502	Y	65.3	Low	65.8	Low	155 Å²	155	69.9 Å²	69.9	61%	0.608	38%	0.382	S	S	*	.	H	α-helix	trans	-54.9	-48.6	171.6	-81.6	-67	0	0	0	111.6	M498 N504 I505	M498-Y502 HydrophobicContact CB-CD2 4.22Å; M498-Y502 HydrophobicContact CB-CE2 4.2Å; M498-Y502 WeakPolarHBondContact O-CD2 3.19Å; M498-Y502 PolarHBondContact O-N 3.38Å; M498-Y502 HydrophobicContact SD-CE2 4.04Å; Y502-N504 PolarHBondContact O-N 2.88Å; Y502-I505 HydrophobicContact CD1-CD1 3.75Å; Y502-I505 HydrophobicContact CE1-CD1 4.42Å; Y502-I505 PolarHBondContact O-N 3.32Å
503	N	66.1	Low	65.6	Low	123 Å²	123	71.8 Å²	71.8	66%	0.658	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-7.5	177.7	-70.9	-23	0	0	0	113.8	A499 L501 K507	A499-N503 VanDerWaalsContact O-CB 3.24Å; A499-N503 WeakPolarHBondContact O-CB 3.39Å; A499-N503 PolarHBondContact O-N 3.03Å; A499-N503 PolarHBondContact O-ND2 2.87Å; L501-N503 PolarHBondContact O-N 2.95Å; N503-K507 PolarHBondContact O-NZ 3.33Å
504	N	61.3	Low	66	Low	29 Å²	29	69.7 Å²	69.7	16%	0.155	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	14.2	-179.2	-67.2	-73.9	0	0	0	114.4	I500 L501 Y502 G506 K507 V512	I500-N504 WeakPolarHBondContact O-CB 3.34Å; I500-N504 PolarHBondContact O-N 3.46Å; I500-N504 PolarHBondContact O-ND2 2.81Å; L501-N504 CarbonylContact O-C 3.53Å; L501-N504 WeakPolarHBondContact O-CA 3.1Å; L501-N504 PolarHBondContact O-N 3.32Å; Y502-N504 PolarHBondContact O-N 2.88Å; N504-G506 PolarHBondContact O-N 2.73Å; N504-K507 HydrophobicContact CB-CD 3.99Å; N504-K507 WeakPolarHBondContact O-CB 3.24Å; N504-K507 PolarHBondContact O-N 2.93Å; N504-K507 WeakPolarHBondContact OD1-CD 3.41Å; N504-K507 PolarHBondContact OD1-NZ 3.16Å; N504-V512 HydrophobicContact CB-CG1 4.38Å; N504-V512 HydrophobicContact CB-CG2 3.63Å
505	I	58.7	Low	67	Low	123 Å²	123	65 Å²	65	63%	0.631	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	132.9	172.6	-69.7	173.8	0	0	0	110.5	L501 Y502 K507	L501-I505 WeakPolarHBondContact O-CG1 3.48Å; L501-I505 PolarHBondContact O-N 2.89Å; Y502-I505 HydrophobicContact CD1-CD1 3.75Å; Y502-I505 HydrophobicContact CE1-CD1 4.42Å; Y502-I505 PolarHBondContact O-N 3.32Å; I505-K507 PolarHBondContact O-N 2.67Å
506	G	53.8	Low	67.9	Low	71 Å²	71	64 Å²	64	73%	0.732	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-0.1	-179.9	0	0	0	0	0	115.4	N504	N504-G506 PolarHBondContact O-N 2.73Å
507	K	62.6	Low	69.1	Low	124 Å²	124	62.2 Å²	62.2	54%	0.539	34%	0.335	S	S	.	.	S	Bend	trans	-89.9	161.6	167.5	-58.4	172.9	-171.1	157.4	0	110.3	N503 N504 I505 L509	N503-K507 PolarHBondContact O-NZ 3.33Å; N504-K507 HydrophobicContact CB-CD 3.99Å; N504-K507 WeakPolarHBondContact O-CB 3.24Å; N504-K507 PolarHBondContact O-N 2.93Å; N504-K507 WeakPolarHBondContact OD1-CD 3.41Å; N504-K507 PolarHBondContact OD1-NZ 3.16Å; I505-K507 PolarHBondContact O-N 2.67Å; K507-L509 PolarHBondContact O-N 3.25Å
508	D	62.9	Low	70.1	Confident	89 Å²	89	61.3 Å²	61.3	48%	0.476	33%	0.33	S	S	.	.			trans	-72.2	116.1	167.3	174.9	5.7	0	0	0	109.6	A510 R511	D508-A510 PolarHBondContact O-N 3.12Å; D508-A510 WeakPolarHBondContact OD1-CB 3.43Å; D508-A510 PolarHBondContact OD1-N 2.85Å; D508-R511 HydrophobicContact CB-CG 4.07Å; D508-R511 WeakPolarHBondContact O-CB 3.41Å; D508-R511 PolarHBondContact O-N 2.94Å; D508-R511 WeakPolarHBondContact OD2-CD 3.41Å; D508-R511 WeakPolarHBondContact OD2-CG 3.46Å
509	L	59.1	Low	71.4	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.209	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.8	-178.9	-64	-177.5	0	0	0	113.4	L501 K507 R511 V512 F626 L631	L501-L509 HydrophobicContact CD2-CD1 4.18Å; L501-L509 HydrophobicContact CD2-CD2 3.68Å; K507-L509 PolarHBondContact O-N 3.25Å; L509-R511 PolarHBondContact O-N 3.47Å; L509-V512 HydrophobicContact CD2-CG2 4.14Å; L509-V512 PolarHBondContact O-N 3.25Å; L509-F626 HydrophobicContact CD1-CB 3.62Å; L509-F626 HydrophobicContact CD1-CD2 4.36Å; L509-F626 HydrophobicContact CD1-CG 3.97Å; L509-L631 HydrophobicContact CD1-CD1 4.21Å
510	A	58.9	Low	72.7	Confident	33 Å²	33	55 Å²	55	27%	0.273	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-67.9	-15.5	172.1	0	0	0	0	0	112.8	D508	D508-A510 PolarHBondContact O-N 3.12Å; D508-A510 WeakPolarHBondContact OD1-CB 3.43Å; D508-A510 PolarHBondContact OD1-N 2.85Å
511	R	63	Low	73.9	Confident	163 Å²	163	53.8 Å²	53.8	62%	0.615	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-106.5	7.2	-179.9	-50.3	-179.7	81.6	-166.7	5.2	112.9	D508 L509 H601	D508-R511 HydrophobicContact CB-CG 4.07Å; D508-R511 WeakPolarHBondContact O-CB 3.41Å; D508-R511 PolarHBondContact O-N 2.94Å; D508-R511 WeakPolarHBondContact OD2-CD 3.41Å; D508-R511 WeakPolarHBondContact OD2-CG 3.46Å; L509-R511 PolarHBondContact O-N 3.47Å; R511-H601 PolarHBondContact NE-CE1 2.97Å; R511-H601 PolarHBondContact NE-NE2 3.3Å; R511-H601 PolarHBondContact NH2-CD2 3.08Å; R511-H601 PolarHBondContact NH2-NE2 3.03Å
512	V	69.5	Low	75.3	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	28%	0.277	C	S	.	.			trans	-87.9	114.6	173.7	178.3	0	0	0	0	108.6	I500 N504 L509 M514	I500-V512 HydrophobicContact CG2-CG1 4.07Å; N504-V512 HydrophobicContact CB-CG1 4.38Å; N504-V512 HydrophobicContact CB-CG2 3.63Å; L509-V512 HydrophobicContact CD2-CG2 4.14Å; L509-V512 PolarHBondContact O-N 3.25Å; V512-M514 HydrophobicContact CG1-SD 4.22Å
513	S	73.5	Confident	76.8	Confident	48 Å²	48	44.8 Å²	44.8	34%	0.336	25%	0.248	S	C	.	.			trans	-69.8	140.3	167.3	-168.8	0	0	0	0	109.3	K800 E804	S513-K800 WeakPolarHBondContact OG-CE 3.39Å; S513-K800 PolarHBondContact OG-NZ 2.95Å; S513-E804 WeakPolarHBondContact CB-OE1 3.21Å; S513-E804 WeakPolarHBondContact CB-OE2 3.29Å; S513-E804 PolarHBondContact OG-OE1 3.46Å; S513-E804 PolarHBondContact OG-OE2 2.96Å
514	M	81.8	Confident	78.2	Confident	30 Å²	30	40.1 Å²	40.1	15%	0.148	22%	0.222	C	C	.	.			trans	-108.4	151.2	179.9	-57.1	-62.9	-64.4	0	0	108.8	L497 I500 V512 L518 K572 K800	L497-M514 HydrophobicContact CD2-CE 3.7Å; I500-M514 HydrophobicContact CD1-CE 3.96Å; I500-M514 HydrophobicContact CG2-CE 4.16Å; I500-M514 HydrophobicContact CG2-SD 4.06Å; V512-M514 HydrophobicContact CG1-SD 4.22Å; M514-L518 HydrophobicContact CE-CB 4.48Å; M514-L518 HydrophobicContact CE-CD1 3.62Å; M514-K572 HydrophobicContact CG-CD 3.72Å; M514-K800 WeakPolarHBondContact O-CE 3.3Å; M514-K800 PolarHBondContact O-NZ 2.83Å; M514-K800 VanDerWaalsContact O-NZ 3.12Å
515	P	88.4	Confident	80	Confident	42 Å²	42	38.7 Å²	38.7	27%	0.273	22%	0.215	S	C	.	.			trans	-58.3	144.2	165.7	-23.2	34.2	0	0	0	111.6	V495 I500 A517 L518 D797	V495-P515 HydrophobicContact CG1-CB 4.49Å; V495-P515 HydrophobicContact CG1-CG 4.13Å; I500-P515 HydrophobicContact CD1-CG 4.02Å; P515-A517 PolarHBondContact O-N 3.16Å; P515-L518 PolarHBondContact O-N 3.44Å; P515-D797 WeakPolarHBondContact CA-OD1 3.45Å
516	A	91.7	Very high	81.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-61.7	-26.5	-177.7	0	0	0	0	0	112.6	L518 N519 L788 A796 D797	A516-L518 PolarHBondContact O-N 2.66Å; A516-N519 WeakPolarHBondContact O-CA 3.46Å; A516-N519 WeakPolarHBondContact O-CB 3.14Å; A516-N519 PolarHBondContact O-N 3.4Å; A516-L788 HydrophobicContact CB-CD1 4.34Å; A516-L788 WeakPolarHBondContact O-CD1 3.47Å; A516-L788 WeakPolarHBondContact O-CD2 3.49Å; A516-A796 HydrophobicContact CB-CB 4Å; A516-D797 HydrophobicContact CB-CB 4.36Å; A516-D797 VanDerWaalsContact N-CG 3.27Å; A516-D797 PolarHBondContact N-OD1 3.31Å; A516-D797 PolarHBondContact N-OD2 2.86Å; A516-D797 VanDerWaalsContact N-OD2 3.12Å
517	A	91.3	Very high	83.9	Confident	5 Å²	5	31.5 Å²	31.5	4%	0.041	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-61.4	-19.5	170.9	0	0	0	0	0	114.4	N492 V495 P515 V793	N492-A517 HydrophobicContact CB-CB 4.37Å; N492-A517 WeakPolarHBondContact CB-O 3.24Å; N492-A517 PolarHBondContact ND2-O 2.99Å; V495-A517 HydrophobicContact CG2-CB 4.01Å; P515-A517 PolarHBondContact O-N 3.16Å; A517-V793 HydrophobicContact CB-CG1 3.96Å
518	L	90.3	Very high	85.5	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-99.3	0.2	172	-65.9	176.5	0	0	0	112.7	N492 V495 L497 I500 M514 P515 A516 K572	N492-L518 HydrophobicContact CB-CD2 3.95Å; V495-L518 HydrophobicContact CB-CD1 4.27Å; V495-L518 HydrophobicContact CB-CD2 4.27Å; V495-L518 HydrophobicContact CB-CG 4.2Å; V495-L518 HydrophobicContact CG1-CD1 3.54Å; V495-L518 HydrophobicContact CG1-CD2 4.41Å; V495-L518 HydrophobicContact CG1-CG 3.85Å; L497-L518 HydrophobicContact CD1-CD2 4.4Å; L497-L518 HydrophobicContact CD2-CD1 3.83Å; L497-L518 HydrophobicContact CG-CD1 3.92Å; I500-L518 HydrophobicContact CD1-CD1 3.62Å; M514-L518 HydrophobicContact CE-CB 4.48Å; M514-L518 HydrophobicContact CE-CD1 3.62Å; P515-L518 PolarHBondContact O-N 3.44Å; A516-L518 PolarHBondContact O-N 2.66Å; L518-K572 PolarHBondContact O-N 3.3Å
519	N	93.8	Very high	87.2	Confident	5 Å²	5	21.4 Å²	21.4	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	164	170.6	-77.3	111.1	0	0	0	111.9	A516 Y571 K572 P573 F574 L788	A516-N519 WeakPolarHBondContact O-CA 3.46Å; A516-N519 WeakPolarHBondContact O-CB 3.14Å; A516-N519 PolarHBondContact O-N 3.4Å; N519-Y571 VanDerWaalsContact O-CD1 3.29Å; N519-Y571 WeakPolarHBondContact O-CD1 3.48Å; N519-K572 CarbonylContact C-O 3.47Å; N519-K572 WeakPolarHBondContact CA-O 3.3Å; N519-K572 PolarHBondContact ND2-O 3.46Å; N519-P573 PolarHBondContact ND2-O 3.23Å; N519-F574 HydrophobicContact CB-CD2 4.2Å; N519-F574 HydrophobicContact CB-CE2 3.83Å; N519-F574 HydrophobicContact CB-CZ 4.03Å; N519-L788 HydrophobicContact CB-CD2 3.86Å
520	E	95.3	Very high	89	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.7	166.9	38.7	166.1	-152	0	0	108.1	V522 R527 R568 Y571 K572 P573 F574 Y754 F756	E520-V522 HydrophobicContact CG-CG2 4.46Å; E520-V522 PolarHBondContact O-N 3.01Å; E520-R527 IonicContact OE1-CZ 3.5Å; E520-R527 IonicContact OE1-NE 3.3Å; E520-R527 PolarHBondContact OE1-NE 2.95Å; E520-R527 IonicContact OE1-NH2 2.63Å; E520-R527 PolarHBondContact OE1-NH2 3.38Å; E520-R527 IonicContact OE2-CZ 2.75Å; E520-R527 IonicContact OE2-NH2 3.99Å; E520-R527 PolarHBondContact OE2-NH2 3.29Å; E520-R568 IonicContact OE1-NH2 2.65Å; E520-R568 PolarHBondContact OE1-NH2 2.92Å; E520-R568 IonicContact OE2-CZ 2.68Å; E520-R568 VanDerWaalsContact OE2-CZ 3.3Å; E520-R568 IonicContact OE2-NE 3.03Å; E520-R568 PolarHBondContact OE2-NE 3.05Å; E520-R568 IonicContact OE2-NH2 2.65Å; E520-R568 PolarHBondContact OE2-NH2 3.19Å; E520-Y571 HydrophobicContact CB-CG 4.41Å; E520-K572 VanDerWaalsContact CG-C 3.48Å; E520-K572 WeakPolarHBondContact CG-O 3.45Å; E520-K572 PolarHBondContact N-O 3.38Å; E520-K572 VanDerWaalsContact N-O 3.09Å; E520-P573 WeakPolarHBondContact OE1-CA 3.35Å; E520-P573 WeakPolarHBondContact OE1-CB 3.31Å; E520-P573 WeakPolarHBondContact OE1-CD 3.46Å; E520-F574 WeakPolarHBondContact O-CD2 3.36Å; E520-F574 VanDerWaalsContact O-CE2 3.3Å; E520-F574 WeakPolarHBondContact O-CE2 3.24Å; E520-Y754 HydrophobicContact CB-CD1 3.83Å; E520-Y754 HydrophobicContact CB-CE1 4.47Å; E520-Y754 HydrophobicContact CB-CG 4.23Å; E520-F756 HydrophobicContact CB-CE1 4.05Å; E520-F756 HydrophobicContact CB-CZ 4.17Å
521	P	97.3	Very high	90.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	34.2	-172.1	30.2	-36.8	0	0	0	115.1	L485 Y754 F756 Q785 E789	L485-P521 HydrophobicContact CD1-CG 4.03Å; P521-Y754 VanDerWaalsContact CD-CZ 3.43Å; P521-Y754 HydrophobicContact CG-CD2 3.9Å; P521-Y754 HydrophobicContact CG-CE2 3.63Å; P521-F756 HydrophobicContact CG-CE2 4.08Å; P521-F756 HydrophobicContact CG-CZ 3.96Å; P521-Q785 WeakPolarHBondContact O-CG 3.32Å; P521-Q785 PolarHBondContact O-NE2 2.82Å; P521-E789 HydrophobicContact CB-CB 3.59Å; P521-E789 HydrophobicContact CB-CG 3.74Å; P521-E789 HydrophobicContact CG-CB 4.32Å; P521-E789 HydrophobicContact CG-CG 4.08Å
522	V	97.7	Very high	92.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.6	167.9	-62.1	0	0	0	0	111.6	E520 Q526 P573 F574 F756	E520-V522 HydrophobicContact CG-CG2 4.46Å; E520-V522 PolarHBondContact O-N 3.01Å; V522-Q526 HydrophobicContact CB-CB 4Å; V522-Q526 HydrophobicContact CG1-CB 4.43Å; V522-P573 CarbonylContact O-C 3.49Å; V522-P573 VanDerWaalsContact O-CA 3.25Å; V522-P573 WeakPolarHBondContact O-CA 3.13Å; V522-P573 WeakPolarHBondContact O-CB 3.2Å; V522-F574 PolarHBondContact O-N 3.42Å; V522-F756 HydrophobicContact CG1-CE2 4Å; V522-F756 HydrophobicContact CG1-CZ 4Å; V522-F756 HydrophobicContact CG2-CZ 4.12Å
523	N	96.6	Very high	93.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	177.9	174.6	76.5	0.6	0	0	0	112.6	L525 Q526 R527 F574 P576 E580 T779	N523-L525 VanDerWaalsContact C-N 3.27Å; N523-L525 PolarHBondContact O-N 3.37Å; N523-L525 WeakPolarHBondContact OD1-CA 3.46Å; N523-L525 VanDerWaalsContact OD1-CB 3.29Å; N523-L525 WeakPolarHBondContact OD1-CB 3.49Å; N523-L525 PolarHBondContact OD1-N 3.43Å; N523-Q526 PolarHBondContact O-N 3.16Å; N523-Q526 PolarHBondContact OD1-N 3.42Å; N523-R527 PolarHBondContact O-N 2.82Å; N523-F574 VanDerWaalsContact CA-O 3.27Å; N523-F574 WeakPolarHBondContact CA-O 3.15Å; N523-F574 HydrophobicContact CB-CB 3.86Å; N523-F574 WeakPolarHBondContact CB-O 3.4Å; N523-P576 HydrophobicContact CB-CG 4.13Å; N523-E580 PolarHBondContact ND2-OE1 3.32Å; N523-T779 HydrophobicContact CB-CG2 4.22Å; N523-T779 VanDerWaalsContact CG-CG2 3.45Å; N523-T779 WeakPolarHBondContact ND2-CG2 3.46Å; N523-T779 PolarHBondContact ND2-OG1 3.1Å
524	L	94.9	Very high	95	Very high	24 Å²	24	9.4 Å²	9.4	13%	0.126	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-26.4	175.7	-66	172.2	0	0	0	114	Q526 R527 L528 P573 F574 P576	L524-Q526 VanDerWaalsContact C-N 3.32Å; L524-R527 PolarHBondContact O-N 3.2Å; L524-L528 PolarHBondContact O-N 2.86Å; L524-L528 VanDerWaalsContact O-N 3.09Å; L524-P573 HydrophobicContact CD2-CB 4.2Å; L524-P573 HydrophobicContact CD2-CG 3.58Å; L524-P573 HydrophobicContact CG-CG 4.32Å; L524-F574 PolarHBondContact N-O 2.91Å; L524-F574 VanDerWaalsContact N-O 3.16Å; L524-P576 HydrophobicContact CB-CG 3.9Å
525	L	98.5	Very high	95.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.9	-33	176.4	-56.9	-172.2	0	0	0	112	N523 P576 E580 F582 S595 Q597	N523-L525 VanDerWaalsContact C-N 3.27Å; N523-L525 PolarHBondContact O-N 3.37Å; N523-L525 WeakPolarHBondContact OD1-CA 3.46Å; N523-L525 VanDerWaalsContact OD1-CB 3.29Å; N523-L525 WeakPolarHBondContact OD1-CB 3.49Å; N523-L525 PolarHBondContact OD1-N 3.43Å; L525-P576 HydrophobicContact CD1-CB 4.14Å; L525-P576 HydrophobicContact CD1-CG 4.42Å; L525-P576 HydrophobicContact CD2-CB 4.38Å; L525-P576 HydrophobicContact CD2-CG 4.06Å; L525-P576 HydrophobicContact CG-CB 3.92Å; L525-P576 HydrophobicContact CG-CG 3.67Å; L525-E580 HydrophobicContact CD1-CB 4.23Å; L525-E580 HydrophobicContact CD1-CG 4.16Å; L525-E580 VanDerWaalsContact CD1-O 3.28Å; L525-E580 WeakPolarHBondContact CD1-O 3.37Å; L525-F582 HydrophobicContact CB-CB 3.81Å; L525-F582 HydrophobicContact CD1-CB 4.49Å; L525-S595 WeakPolarHBondContact CB-OG 3.2Å; L525-S595 PolarHBondContact O-OG 2.82Å; L525-Q597 HydrophobicContact CD2-CB 4.38Å
526	Q	98.6	Very high	96.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-76.7	-40.4	172.2	-76.9	166	-32.6	0	0	111.7	V522 N523 L524 L528 C529 E530 F582 L763 N764 T779	V522-Q526 HydrophobicContact CB-CB 4Å; V522-Q526 HydrophobicContact CG1-CB 4.43Å; N523-Q526 PolarHBondContact O-N 3.16Å; N523-Q526 PolarHBondContact OD1-N 3.42Å; L524-Q526 VanDerWaalsContact C-N 3.32Å; Q526-L528 PolarHBondContact O-N 3.13Å; Q526-C529 WeakPolarHBondContact O-CA 3.11Å; Q526-C529 VanDerWaalsContact O-CB 3.31Å; Q526-C529 WeakPolarHBondContact O-CB 3.24Å; Q526-C529 PolarHBondContact O-N 3.44Å; Q526-E530 PolarHBondContact O-N 3.37Å; Q526-F582 HydrophobicContact CB-CE1 4.41Å; Q526-F582 HydrophobicContact CG-CD1 3.73Å; Q526-F582 HydrophobicContact CG-CD2 3.64Å; Q526-F582 HydrophobicContact CG-CE1 3.68Å; Q526-F582 HydrophobicContact CG-CE2 3.54Å; Q526-F582 HydrophobicContact CG-CG 3.73Å; Q526-F582 HydrophobicContact CG-CZ 3.59Å; Q526-L763 HydrophobicContact CB-CD1 4.05Å; Q526-L763 HydrophobicContact CG-CB 4.39Å; Q526-L763 WeakPolarHBondContact O-CD1 3.44Å; Q526-N764 PolarHBondContact NE2-OD1 3.04Å; Q526-T779 VanDerWaalsContact CD-CG2 3.5Å; Q526-T779 HydrophobicContact CG-CG2 4.33Å
527	R	96.1	Very high	96.5	Very high	43 Å²	43	9.8 Å²	9.8	16%	0.162	5%	0.046	C	C	.	.	H	α-helix	trans	-56.2	-37.2	172	-66.2	-49.6	-147.6	116.6	5.6	112.5	E520 N523 L524 C529 E530 R568 P573	E520-R527 IonicContact OE1-CZ 3.5Å; E520-R527 IonicContact OE1-NE 3.3Å; E520-R527 PolarHBondContact OE1-NE 2.95Å; E520-R527 IonicContact OE1-NH2 2.63Å; E520-R527 PolarHBondContact OE1-NH2 3.38Å; E520-R527 IonicContact OE2-CZ 2.75Å; E520-R527 IonicContact OE2-NH2 3.99Å; E520-R527 PolarHBondContact OE2-NH2 3.29Å; N523-R527 PolarHBondContact O-N 2.82Å; L524-R527 PolarHBondContact O-N 3.2Å; R527-C529 PolarHBondContact O-N 2.82Å; R527-E530 WeakPolarHBondContact CD-OE1 3.4Å; R527-E530 IonicContact CZ-OE2 3.81Å; R527-E530 IonicContact NE-OE1 3.78Å; R527-E530 IonicContact NH1-OE2 2.76Å; R527-E530 PolarHBondContact NH1-OE2 3.07Å; R527-E530 VanDerWaalsContact NH1-OE2 3.14Å; R527-E530 WeakPolarHBondContact O-CB 3.28Å; R527-E530 PolarHBondContact O-N 2.76Å; R527-R568 VanDerWaalsContact CZ-NH2 3.3Å; R527-R568 VanDerWaalsContact NE-NH2 3.14Å; R527-P573 HydrophobicContact CG-CB 3.91Å; R527-P573 HydrophobicContact CG-CG 4.11Å
528	L	97	Very high	96.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.6	-24.9	173	-81.8	172.4	0	0	0	114.2	L524 Q526 F593 C607 Q618 Q620	L524-L528 PolarHBondContact O-N 2.86Å; L524-L528 VanDerWaalsContact O-N 3.09Å; Q526-L528 PolarHBondContact O-N 3.13Å; L528-F593 HydrophobicContact CB-CE2 4.43Å; L528-F593 HydrophobicContact CB-CZ 3.92Å; L528-F593 WeakPolarHBondContact O-CE2 3.49Å; L528-C607 HydrophobicContact CB-CB 4.31Å; L528-C607 HydrophobicContact CD1-CB 4.11Å; L528-Q618 VanDerWaalsContact CD2-CD 3.43Å; L528-Q618 HydrophobicContact CD2-CG 3.87Å; L528-Q620 HydrophobicContact CD2-CB 3.87Å; L528-Q620 HydrophobicContact CD2-CG 4.36Å; L528-Q620 VanDerWaalsContact CD2-OE1 3.29Å
529	C	98.5	Very high	97.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-83.4	-26	175.6	-168.7	0	0	0	0	112.3	Q526 R527 E531 L532 F582 F593 F759 L763	Q526-C529 WeakPolarHBondContact O-CA 3.11Å; Q526-C529 VanDerWaalsContact O-CB 3.31Å; Q526-C529 WeakPolarHBondContact O-CB 3.24Å; Q526-C529 PolarHBondContact O-N 3.44Å; R527-C529 PolarHBondContact O-N 2.82Å; C529-E531 PolarHBondContact O-N 3.32Å; C529-L532 PolarHBondContact O-N 3Å; C529-F582 HydrophobicContact CB-CD1 4.37Å; C529-F582 HydrophobicContact CB-CE1 3.85Å; C529-F593 HydrophobicContact CB-CD1 4.06Å; C529-F593 HydrophobicContact CB-CD2 4.31Å; C529-F593 HydrophobicContact CB-CE1 3.8Å; C529-F593 HydrophobicContact CB-CE2 4.03Å; C529-F593 HydrophobicContact CB-CG 4.33Å; C529-F593 HydrophobicContact CB-CZ 3.77Å; C529-F759 VanDerWaalsContact O-CE1 3.26Å; C529-F759 WeakPolarHBondContact O-CE1 3.43Å; C529-L763 HydrophobicContact CB-CD2 4.16Å
530	E	97.3	Very high	97.3	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-61.9	-25.6	176.2	-65.2	175.8	-160.7	0	0	112.6	Q526 R527 L532 E533 R568 L763	Q526-E530 PolarHBondContact O-N 3.37Å; R527-E530 WeakPolarHBondContact CD-OE1 3.4Å; R527-E530 IonicContact CZ-OE2 3.81Å; R527-E530 IonicContact NE-OE1 3.78Å; R527-E530 IonicContact NH1-OE2 2.76Å; R527-E530 PolarHBondContact NH1-OE2 3.07Å; R527-E530 VanDerWaalsContact NH1-OE2 3.14Å; R527-E530 WeakPolarHBondContact O-CB 3.28Å; R527-E530 PolarHBondContact O-N 2.76Å; E530-L532 PolarHBondContact O-N 3.3Å; E530-L532 VanDerWaalsContact O-N 3.11Å; E530-E533 VanDerWaalsContact O-CB 3.29Å; E530-E533 WeakPolarHBondContact O-CB 3.27Å; E530-E533 PolarHBondContact O-N 3.39Å; E530-R568 IonicContact OE1-CZ 3.85Å; E530-R568 IonicContact OE1-NH1 3.71Å; E530-R568 PolarHBondContact OE1-NH1 3.09Å; E530-R568 IonicContact OE1-NH2 3.45Å; E530-R568 PolarHBondContact OE1-NH2 3Å; E530-R568 IonicContact OE2-CZ 2.66Å; E530-R568 IonicContact OE2-NH1 2.71Å; E530-R568 PolarHBondContact OE2-NH1 3.45Å; E530-L763 HydrophobicContact CG-CD1 3.65Å
531	E	97.3	Very high	97.4	Very high	28 Å²	28	13.2 Å²	13.2	13%	0.131	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.9	174.2	-60.2	-178.4	-167.6	0	0	112.9	C529 F557 F616 Q618 Q620 K654	C529-E531 PolarHBondContact O-N 3.32Å; E531-F557 WeakPolarHBondContact O-CE2 3.36Å; E531-F557 WeakPolarHBondContact O-CZ 3.3Å; E531-F616 HydrophobicContact CB-CZ 4.2Å; E531-Q618 PolarHBondContact OE2-NE2 3.25Å; E531-Q620 PolarHBondContact OE1-NE2 2.92Å; E531-K654 IonicContact OE1-NZ 3.45Å; E531-K654 PolarHBondContact OE1-NZ 2.8Å; E531-K654 IonicContact OE2-NZ 3.66Å; E531-K654 PolarHBondContact OE2-NZ 3.17Å
532	L	98.2	Very high	97.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	10.9	171.1	-64.3	170.5	0	0	0	113.6	C529 E530 Y534 S535 F557 F591 F593 A609 F614 F616	C529-L532 PolarHBondContact O-N 3Å; E530-L532 PolarHBondContact O-N 3.3Å; E530-L532 VanDerWaalsContact O-N 3.11Å; L532-Y534 PolarHBondContact O-N 3.45Å; L532-S535 WeakPolarHBondContact O-CB 3.47Å; L532-S535 PolarHBondContact O-N 2.87Å; L532-S535 PolarHBondContact O-OG 3.06Å; L532-F557 HydrophobicContact CD2-CE2 4.18Å; L532-F557 HydrophobicContact CD2-CZ 3.92Å; L532-F591 HydrophobicContact CB-CE1 4.06Å; L532-F591 HydrophobicContact CB-CE2 4.24Å; L532-F591 HydrophobicContact CB-CZ 3.69Å; L532-F591 HydrophobicContact CD1-CD2 4.06Å; L532-F591 HydrophobicContact CD1-CE2 3.69Å; L532-F591 HydrophobicContact CD1-CZ 4.02Å; L532-F591 HydrophobicContact CG-CZ 4.49Å; L532-F593 HydrophobicContact CD1-CB 4.39Å; L532-F593 HydrophobicContact CD1-CD2 3.67Å; L532-F593 HydrophobicContact CD1-CE2 4.47Å; L532-F593 HydrophobicContact CD1-CG 4.46Å; L532-A609 HydrophobicContact CD1-CB 3.67Å; L532-F614 HydrophobicContact CD2-CE2 4.11Å; L532-F614 HydrophobicContact CD2-CZ 4.43Å; L532-F616 HydrophobicContact CD1-CD1 4.15Å; L532-F616 HydrophobicContact CD1-CE1 4.38Å; L532-F616 HydrophobicContact CD2-CB 4.35Å; L532-F616 HydrophobicContact CD2-CD1 4.05Å; L532-F616 HydrophobicContact CD2-CD2 4.35Å; L532-F616 HydrophobicContact CD2-CE1 4.35Å; L532-F616 HydrophobicContact CD2-CG 4.03Å; L532-F616 HydrophobicContact CG-CD1 4.26Å; L532-F616 HydrophobicContact CG-CE1 4.24Å
533	E	96.9	Very high	97.4	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.014	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.9	173.2	-177.8	176.9	139.7	0	0	112.5	E530 R589 N744 S757 F759	E530-E533 VanDerWaalsContact O-CB 3.29Å; E530-E533 WeakPolarHBondContact O-CB 3.27Å; E530-E533 PolarHBondContact O-N 3.39Å; E533-R589 PolarHBondContact O-NH1 2.75Å; E533-R589 PolarHBondContact O-NH2 2.98Å; E533-N744 PolarHBondContact OE1-ND2 2.77Å; E533-S757 VanDerWaalsContact OE2-CB 3.24Å; E533-S757 WeakPolarHBondContact OE2-CB 3.07Å; E533-S757 PolarHBondContact OE2-OG 3.42Å; E533-F759 HydrophobicContact CB-CB 4.22Å; E533-F759 HydrophobicContact CB-CD1 4.06Å; E533-F759 HydrophobicContact CB-CD2 4.38Å; E533-F759 HydrophobicContact CB-CG 3.97Å; E533-F759 HydrophobicContact CG-CB 3.71Å; E533-F759 HydrophobicContact CG-CD1 4.49Å; E533-F759 HydrophobicContact CG-CD2 4.41Å; E533-F759 HydrophobicContact CG-CG 3.98Å
534	Y	97.4	Very high	97.3	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.02	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	35.8	178.6	-55.1	-82.5	0	0	0	112.2	L532 E536 L537 W741 N744	L532-Y534 PolarHBondContact O-N 3.45Å; Y534-E536 VanDerWaalsContact C-OE2 3.24Å; Y534-E536 WeakPolarHBondContact CA-OE1 3.24Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.4Å; Y534-E536 PolarHBondContact O-N 2.91Å; Y534-E536 VanDerWaalsContact O-N 3.15Å; Y534-L537 WeakPolarHBondContact O-CB 3.48Å; Y534-L537 WeakPolarHBondContact O-CG 3.22Å; Y534-L537 PolarHBondContact O-N 2.8Å; Y534-L537 VanDerWaalsContact O-N 3.11Å; Y534-W741 AromaticContact CD1-CD1 3.59Å; Y534-W741 AromaticContact CD1-NE1 3.03Å; Y534-W741 AromaticContact CD2-NE1 3.7Å; Y534-W741 AromaticContact CE1-NE1 3.29Å; Y534-W741 VanDerWaalsContact CE1-NE1 3.29Å; Y534-W741 HydrophobicContact CE2-CZ2 4.27Å; Y534-W741 AromaticContact CE2-NE1 3.97Å; Y534-W741 AromaticContact CG-CD1 3.89Å; Y534-W741 AromaticContact CG-NE1 3.24Å; Y534-W741 AromaticContact CZ-NE1 3.79Å; Y534-N744 HydrophobicContact CE1-CB 4.43Å; Y534-N744 WeakPolarHBondContact CE1-ND2 3.38Å; Y534-N744 PolarHBondContact OH-N 2.6Å; Y534-N744 PolarHBondContact OH-ND2 2.85Å
535	S	98.1	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.8	179.3	24.5	0	0	0	0	113.6	L532 L537 L538 D539 R589 F591	L532-S535 WeakPolarHBondContact O-CB 3.47Å; L532-S535 PolarHBondContact O-N 2.87Å; L532-S535 PolarHBondContact O-OG 3.06Å; S535-L537 PolarHBondContact O-N 3.12Å; S535-L538 WeakPolarHBondContact O-CB 3.42Å; S535-L538 PolarHBondContact O-N 3.12Å; S535-D539 PolarHBondContact O-N 3.32Å; S535-R589 PolarHBondContact OG-NH1 3.46Å; S535-R589 VanDerWaalsContact OG-NH1 3.08Å; S535-F591 WeakPolarHBondContact OG-CE1 3.21Å
536	E	96.7	Very high	97.2	Very high	69 Å²	69	24.1 Å²	24.1	32%	0.322	13%	0.13	S	C	.	.	H	α-helix	trans	-60.5	-17.3	177.2	67.3	-77.7	175.9	0	0	114.3	Y534 D539 T540 R589	Y534-E536 VanDerWaalsContact C-OE2 3.24Å; Y534-E536 WeakPolarHBondContact CA-OE1 3.24Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.4Å; Y534-E536 PolarHBondContact O-N 2.91Å; Y534-E536 VanDerWaalsContact O-N 3.15Å; E536-D539 WeakPolarHBondContact CA-OD2 3.49Å; E536-T540 WeakPolarHBondContact O-CB 3.24Å; E536-T540 PolarHBondContact O-N 2.8Å; E536-T540 PolarHBondContact O-OG1 3.47Å; E536-R589 IonicContact OE2-CZ 3.4Å; E536-R589 IonicContact OE2-NH1 2.66Å; E536-R589 PolarHBondContact OE2-NH1 3.08Å; E536-R589 IonicContact OE2-NH2 2.68Å
537	L	98	Very high	97.1	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-32.7	170.3	-65.2	172.6	0	0	0	112.1	Y534 S535 T540 A541 Y553 A556 F557 W741	Y534-L537 WeakPolarHBondContact O-CB 3.48Å; Y534-L537 WeakPolarHBondContact O-CG 3.22Å; Y534-L537 PolarHBondContact O-N 2.8Å; Y534-L537 VanDerWaalsContact O-N 3.11Å; S535-L537 PolarHBondContact O-N 3.12Å; L537-T540 PolarHBondContact O-N 2.66Å; L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.47Å; L537-Y553 HydrophobicContact CD2-CD1 4.39Å; L537-A556 HydrophobicContact CD1-CB 4.2Å; L537-F557 HydrophobicContact CB-CB 4Å; L537-F557 HydrophobicContact CD1-CB 4.16Å; L537-W741 HydrophobicContact CD1-CB 4.06Å; L537-W741 HydrophobicContact CD1-CG 4.01Å; L537-W741 HydrophobicContact CD2-CB 4.21Å
538	L	98.6	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-75.2	-36.7	174.8	-59.7	-174.7	0	0	0	111.4	S535 T540 A541 S542 F557 F614 V641	S535-L538 WeakPolarHBondContact O-CB 3.42Å; S535-L538 PolarHBondContact O-N 3.12Å; L538-T540 VanDerWaalsContact C-N 3.32Å; L538-A541 PolarHBondContact O-N 2.99Å; L538-S542 WeakPolarHBondContact O-CB 3.37Å; L538-S542 PolarHBondContact O-N 3.04Å; L538-F557 HydrophobicContact CD1-CD1 4.24Å; L538-F557 HydrophobicContact CD1-CD2 4.28Å; L538-F557 HydrophobicContact CD1-CE1 3.96Å; L538-F557 HydrophobicContact CD1-CE2 4Å; L538-F557 HydrophobicContact CD1-CG 4.4Å; L538-F557 HydrophobicContact CD1-CZ 3.84Å; L538-F557 HydrophobicContact CD2-CB 3.97Å; L538-F557 HydrophobicContact CD2-CD1 3.7Å; L538-F557 HydrophobicContact CD2-CD2 4.17Å; L538-F557 HydrophobicContact CD2-CE1 4.25Å; L538-F557 HydrophobicContact CD2-CG 3.66Å; L538-F557 HydrophobicContact CG-CD1 4.15Å; L538-F557 HydrophobicContact CG-CD2 3.88Å; L538-F557 HydrophobicContact CG-CE1 4.35Å; L538-F557 HydrophobicContact CG-CE2 4.1Å; L538-F557 HydrophobicContact CG-CG 3.91Å; L538-F557 HydrophobicContact CG-CZ 4.34Å; L538-F614 HydrophobicContact CB-CB 4.18Å; L538-F614 HydrophobicContact CB-CD1 3.7Å; L538-F614 HydrophobicContact CB-CE1 4.19Å; L538-F614 HydrophobicContact CB-CG 3.88Å; L538-F614 HydrophobicContact CD1-CB 4.35Å; L538-F614 HydrophobicContact CD1-CD1 4.29Å; L538-F614 HydrophobicContact CD1-CD2 3.62Å; L538-F614 HydrophobicContact CD1-CE2 3.92Å; L538-F614 HydrophobicContact CD1-CG 3.84Å; L538-F614 HydrophobicContact CD1-CZ 4.37Å; L538-V641 HydrophobicContact CD1-CG1 4.17Å; L538-V641 HydrophobicContact CD1-CG2 4Å; L538-V641 HydrophobicContact CD2-CG1 4.16Å; L538-V641 HydrophobicContact CD2-CG2 4.45Å
539	D	97.6	Very high	96.9	Very high	34 Å²	34	28.8 Å²	28.8	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-44.4	168.6	-63.9	-56.4	0	0	0	111	S535 E536 A541 S542 N543 N613	S535-D539 PolarHBondContact O-N 3.32Å; E536-D539 WeakPolarHBondContact CA-OD2 3.49Å; D539-A541 PolarHBondContact O-N 3.37Å; D539-S542 PolarHBondContact O-N 3.37Å; D539-N543 PolarHBondContact O-N 3.06Å; D539-N543 PolarHBondContact O-ND2 3.29Å; D539-N613 VanDerWaalsContact OD1-CB 3.28Å; D539-N613 WeakPolarHBondContact OD1-CB 3.13Å; D539-N613 PolarHBondContact OD1-ND2 3.37Å
540	T	96.7	Very high	96.8	Very high	54 Å²	54	29.3 Å²	29.3	33%	0.331	16%	0.156	S	C	.	.	H	α-helix	trans	-63.4	-41	177.2	-54.8	0	0	0	0	111.5	E536 L537 L538 N543 T544 Y553	E536-T540 WeakPolarHBondContact O-CB 3.24Å; E536-T540 PolarHBondContact O-N 2.8Å; E536-T540 PolarHBondContact O-OG1 3.47Å; L537-T540 PolarHBondContact O-N 2.66Å; L538-T540 VanDerWaalsContact C-N 3.32Å; T540-N543 PolarHBondContact O-N 2.85Å; T540-T544 PolarHBondContact O-N 2.86Å; T540-T544 PolarHBondContact O-OG1 3.15Å; T540-Y553 HydrophobicContact CG2-CD1 3.84Å; T540-Y553 HydrophobicContact CG2-CD2 4.02Å; T540-Y553 HydrophobicContact CG2-CE1 3.54Å; T540-Y553 HydrophobicContact CG2-CE2 3.71Å; T540-Y553 HydrophobicContact CG2-CG 4.1Å; T540-Y553 VanDerWaalsContact CG2-CZ 3.49Å
541	A	97.2	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-48.5	172.9	0	0	0	0	0	111.7	L537 L538 D539 N543 T544 R550 V554 L643	L537-A541 WeakPolarHBondContact O-CB 3.38Å; L537-A541 PolarHBondContact O-N 3.47Å; L538-A541 PolarHBondContact O-N 2.99Å; D539-A541 PolarHBondContact O-N 3.37Å; A541-N543 PolarHBondContact O-N 2.87Å; A541-N543 VanDerWaalsContact O-N 3.15Å; A541-T544 PolarHBondContact O-N 2.97Å; A541-R550 WeakPolarHBondContact O-CD 3.35Å; A541-R550 VanDerWaalsContact O-CG 3.24Å; A541-R550 WeakPolarHBondContact O-CG 3.26Å; A541-V554 HydrophobicContact CB-CG2 4.16Å; A541-L643 HydrophobicContact CB-CD1 3.71Å
542	S	97.6	Very high	96.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-20.1	180	-148	0	0	0	0	113.2	L538 D539 N613 R645 Y646	L538-S542 WeakPolarHBondContact O-CB 3.37Å; L538-S542 PolarHBondContact O-N 3.04Å; D539-S542 PolarHBondContact O-N 3.37Å; S542-N613 WeakPolarHBondContact CB-O 3.44Å; S542-N613 PolarHBondContact OG-O 2.68Å; S542-R645 WeakPolarHBondContact O-CD 3.29Å; S542-R645 PolarHBondContact O-NH1 3.45Å; S542-Y646 WeakPolarHBondContact O-CE2 3.43Å
543	N	96.9	Very high	96.8	Very high	84 Å²	84	28.4 Å²	28.4	45%	0.449	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.7	173.4	-71.8	-78.4	0	0	0	114.7	D539 T540 A541 R645	D539-N543 PolarHBondContact O-N 3.06Å; D539-N543 PolarHBondContact O-ND2 3.29Å; T540-N543 PolarHBondContact O-N 2.85Å; A541-N543 PolarHBondContact O-N 2.87Å; A541-N543 VanDerWaalsContact O-N 3.15Å; N543-R645 PolarHBondContact OD1-NH1 2.98Å; N543-R645 PolarHBondContact OD1-NH2 3.18Å; N543-R645 VanDerWaalsContact OD1-NH2 3.16Å
544	T	95.6	Very high	96.8	Very high	12 Å²	12	28.3 Å²	28.3	7%	0.074	15%	0.151	C	C	.	.			trans	-103.1	115.5	-178.2	-65.5	0	0	0	0	111.6	T540 A541 D546 Q549 R550 Y553 Y646	T540-T544 PolarHBondContact O-N 2.86Å; T540-T544 PolarHBondContact O-OG1 3.15Å; A541-T544 PolarHBondContact O-N 2.97Å; T544-D546 PolarHBondContact O-N 3.12Å; T544-Q549 HydrophobicContact CG2-CB 3.75Å; T544-Q549 HydrophobicContact CG2-CG 3.77Å; T544-R550 HydrophobicContact CG2-CG 4.01Å; T544-R550 VanDerWaalsContact O-CD 3.24Å; T544-R550 WeakPolarHBondContact O-CD 3.44Å; T544-R550 WeakPolarHBondContact O-CG 3.27Å; T544-R550 PolarHBondContact O-NH1 3.35Å; T544-Y553 HydrophobicContact CG2-CE2 4.48Å; T544-Y646 WeakPolarHBondContact O-CE2 3.35Å; T544-Y646 PolarHBondContact O-OH 3.38Å
545	P	95.9	Very high	96.9	Very high	101 Å²	101	28 Å²	28	66%	0.656	15%	0.15	S	C	*	.			trans	-68.4	-33	-177	-23.7	35.3	0	0	0	115.3	R550 Y646	P545-R550 VanDerWaalsContact C-NH1 3.28Å; P545-R550 PolarHBondContact O-NH1 2.89Å; P545-Y646 WeakPolarHBondContact CA-OH 3.45Å
546	D	94.9	Very high	96.9	Very high	56 Å²	56	28 Å²	28	30%	0.299	15%	0.15	S	C	.	.			trans	-75.2	121.4	179.9	168.6	34.4	0	0	0	111.7	T544 Y548 Q549 R550	T544-D546 PolarHBondContact O-N 3.12Å; D546-Y548 VanDerWaalsContact C-N 3.28Å; D546-Y548 PolarHBondContact O-N 3.21Å; D546-Y548 VanDerWaalsContact OD1-CD2 3.3Å; D546-Y548 WeakPolarHBondContact OD1-CD2 3.32Å; D546-Y548 PolarHBondContact OD1-N 3.26Å; D546-Q549 HydrophobicContact CB-CB 4.14Å; D546-Q549 PolarHBondContact O-N 2.71Å; D546-Q549 WeakPolarHBondContact OD2-CB 3.43Å; D546-Q549 PolarHBondContact OD2-N 2.81Å; D546-R550 WeakPolarHBondContact O-CG 3.23Å; D546-R550 PolarHBondContact O-N 3.46Å
547	P	96	Very high	96.9	Very high	29 Å²	29	25 Å²	25	19%	0.188	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-30.3	177.1	26	-35.2	0	0	0	113.7	R550 M551 T684	P547-R550 PolarHBondContact O-N 3.4Å; P547-M551 PolarHBondContact O-N 2.94Å; P547-T684 HydrophobicContact CB-CG2 4.31Å; P547-T684 HydrophobicContact CG-CG2 3.9Å
548	Y	95.5	Very high	97	Very high	58 Å²	58	24.9 Å²	24.9	23%	0.227	14%	0.136	C	C	.	.	H	α-helix	trans	-71.2	-46.9	179.8	-58.4	-72.7	0	0	0	110.9	D546 M551 V552 C685 V710 D712 I718	D546-Y548 VanDerWaalsContact C-N 3.28Å; D546-Y548 PolarHBondContact O-N 3.21Å; D546-Y548 VanDerWaalsContact OD1-CD2 3.3Å; D546-Y548 WeakPolarHBondContact OD1-CD2 3.32Å; D546-Y548 PolarHBondContact OD1-N 3.26Å; Y548-M551 WeakPolarHBondContact O-CB 3.49Å; Y548-M551 PolarHBondContact O-N 3.06Å; Y548-V552 PolarHBondContact O-N 2.67Å; Y548-C685 HydrophobicContact CD1-CB 3.61Å; Y548-C685 HydrophobicContact CE1-CB 3.61Å; Y548-V710 HydrophobicContact CD1-CG1 4.02Å; Y548-D712 HydrophobicContact CE1-CB 3.99Å; Y548-I718 HydrophobicContact CD1-CB 4.02Å; Y548-I718 HydrophobicContact CD1-CG1 3.9Å; Y548-I718 HydrophobicContact CD1-CG2 3.97Å; Y548-I718 HydrophobicContact CD2-CG2 4.22Å; Y548-I718 HydrophobicContact CE1-CB 4.39Å; Y548-I718 HydrophobicContact CE1-CG1 3.75Å; Y548-I718 HydrophobicContact CG-CB 4.38Å; Y548-I718 HydrophobicContact CG-CG2 3.81Å
549	Q	94.7	Very high	96.9	Very high	54 Å²	54	24.9 Å²	24.9	25%	0.252	14%	0.136	S	C	.	.	H	α-helix	trans	-64.7	-35.4	172.1	-170.7	-178.7	0.8	0	0	112.5	T544 D546 M551 V552 Y553 L734	T544-Q549 HydrophobicContact CG2-CB 3.75Å; T544-Q549 HydrophobicContact CG2-CG 3.77Å; D546-Q549 HydrophobicContact CB-CB 4.14Å; D546-Q549 PolarHBondContact O-N 2.71Å; D546-Q549 WeakPolarHBondContact OD2-CB 3.43Å; D546-Q549 PolarHBondContact OD2-N 2.81Å; Q549-M551 VanDerWaalsContact C-N 3.33Å; Q549-M551 PolarHBondContact O-N 2.89Å; Q549-V552 PolarHBondContact O-N 2.82Å; Q549-Y553 HydrophobicContact CG-CD2 4.25Å; Q549-Y553 HydrophobicContact CG-CE2 3.76Å; Q549-Y553 PolarHBondContact NE2-OH 3.01Å; Q549-Y553 VanDerWaalsContact O-CD2 3.29Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.47Å; Q549-Y553 PolarHBondContact O-N 2.86Å; Q549-L734 HydrophobicContact CB-CD2 4.4Å; Q549-L734 HydrophobicContact CG-CD2 3.92Å
550	R	96.4	Very high	96.9	Very high	11 Å²	11	23.3 Å²	23.3	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-45.9	170.5	-78.1	-154.7	-61.9	-73	6.5	112	A541 T544 P545 D546 P547 V552 Y553 V554 Y646 D648	A541-R550 WeakPolarHBondContact O-CD 3.35Å; A541-R550 VanDerWaalsContact O-CG 3.24Å; A541-R550 WeakPolarHBondContact O-CG 3.26Å; T544-R550 HydrophobicContact CG2-CG 4.01Å; T544-R550 VanDerWaalsContact O-CD 3.24Å; T544-R550 WeakPolarHBondContact O-CD 3.44Å; T544-R550 WeakPolarHBondContact O-CG 3.27Å; T544-R550 PolarHBondContact O-NH1 3.35Å; P545-R550 VanDerWaalsContact C-NH1 3.28Å; P545-R550 PolarHBondContact O-NH1 2.89Å; D546-R550 WeakPolarHBondContact O-CG 3.23Å; D546-R550 PolarHBondContact O-N 3.46Å; P547-R550 PolarHBondContact O-N 3.4Å; R550-V552 VanDerWaalsContact C-N 3.26Å; R550-V552 PolarHBondContact O-N 3.06Å; R550-Y553 PolarHBondContact O-N 2.92Å; R550-V554 WeakPolarHBondContact O-CG2 3.35Å; R550-V554 PolarHBondContact O-N 2.97Å; R550-Y646 VanDerWaalsContact CZ-CD2 3.48Å; R550-D648 IonicContact CZ-OD2 3.15Å; R550-D648 IonicContact NE-OD2 2.97Å; R550-D648 PolarHBondContact NE-OD2 2.81Å; R550-D648 IonicContact NH2-OD1 3.63Å; R550-D648 IonicContact NH2-OD2 2.77Å; R550-D648 PolarHBondContact NH2-OD2 2.88Å
551	M	97.4	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-35.4	179.1	-172.8	66.5	83.7	0	0	111.9	P547 Y548 Q549 V554 A555 Y650 I677 C685 C687 V710	P547-M551 PolarHBondContact O-N 2.94Å; Y548-M551 WeakPolarHBondContact O-CB 3.49Å; Y548-M551 PolarHBondContact O-N 3.06Å; Q549-M551 VanDerWaalsContact C-N 3.33Å; Q549-M551 PolarHBondContact O-N 2.89Å; M551-V554 PolarHBondContact O-N 3.17Å; M551-A555 VanDerWaalsContact O-CB 3.23Å; M551-A555 WeakPolarHBondContact O-CB 3.35Å; M551-A555 PolarHBondContact O-N 2.83Å; M551-Y650 HydrophobicContact CE-CD1 3.95Å; M551-Y650 HydrophobicContact CE-CE1 3.69Å; M551-Y650 HydrophobicContact SD-CD1 4.02Å; M551-Y650 HydrophobicContact SD-CE1 3.9Å; M551-I677 HydrophobicContact SD-CB 4.02Å; M551-I677 HydrophobicContact SD-CG2 3.76Å; M551-C685 WeakPolarHBondContact CE-O 3.41Å; M551-C687 HydrophobicContact CG-CB 3.44Å; M551-C687 VanDerWaalsContact CG-CB 3.44Å; M551-C687 HydrophobicContact SD-CB 3.69Å; M551-V710 HydrophobicContact CB-CG1 4.02Å; M551-V710 HydrophobicContact CB-CG2 4.15Å; M551-V710 HydrophobicContact CG-CG1 3.97Å; M551-V710 HydrophobicContact CG-CG2 3.93Å
552	V	96.4	Very high	96.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-39.3	173	179.2	0	0	0	0	112	Y548 Q549 R550 A556 V710 H719 F721 C731 I740	Y548-V552 PolarHBondContact O-N 2.67Å; Q549-V552 PolarHBondContact O-N 2.82Å; R550-V552 VanDerWaalsContact C-N 3.26Å; R550-V552 PolarHBondContact O-N 3.06Å; V552-A556 WeakPolarHBondContact O-CB 3.36Å; V552-A556 PolarHBondContact O-N 3.3Å; V552-V710 HydrophobicContact CG2-CG2 3.74Å; V552-H719 HydrophobicContact CG2-CB 3.97Å; V552-F721 HydrophobicContact CG2-CD1 4.41Å; V552-C731 HydrophobicContact CG1-CB 4.19Å; V552-I740 HydrophobicContact CG1-CD1 4.35Å; V552-I740 HydrophobicContact CG1-CG1 4.06Å; V552-I740 HydrophobicContact CG1-CG2 4.32Å
553	Y	97.6	Very high	96.4	Very high	15 Å²	15	23.2 Å²	23.2	6%	0.059	13%	0.13	C	C	.	.	H	α-helix	trans	-70.4	-41.3	176.1	-72.8	-61.6	0	0	0	113	L537 T540 T544 Q549 R550 A555 A556 F557 I740	L537-Y553 HydrophobicContact CD2-CD1 4.39Å; T540-Y553 HydrophobicContact CG2-CD1 3.84Å; T540-Y553 HydrophobicContact CG2-CD2 4.02Å; T540-Y553 HydrophobicContact CG2-CE1 3.54Å; T540-Y553 HydrophobicContact CG2-CE2 3.71Å; T540-Y553 HydrophobicContact CG2-CG 4.1Å; T540-Y553 VanDerWaalsContact CG2-CZ 3.49Å; T544-Y553 HydrophobicContact CG2-CE2 4.48Å; Q549-Y553 HydrophobicContact CG-CD2 4.25Å; Q549-Y553 HydrophobicContact CG-CE2 3.76Å; Q549-Y553 PolarHBondContact NE2-OH 3.01Å; Q549-Y553 VanDerWaalsContact O-CD2 3.29Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.47Å; Q549-Y553 PolarHBondContact O-N 2.86Å; R550-Y553 PolarHBondContact O-N 2.92Å; Y553-A555 VanDerWaalsContact C-N 3.31Å; Y553-A555 PolarHBondContact O-N 3.06Å; Y553-A556 PolarHBondContact O-N 2.85Å; Y553-F557 PolarHBondContact O-N 3.27Å; Y553-I740 HydrophobicContact CD1-CG2 3.71Å; Y553-I740 HydrophobicContact CE1-CG2 3.75Å
554	V	98.4	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-38	174	177.6	0	0	0	0	110.9	A541 R550 M551 F557 A558 Y650 W652 I677	A541-V554 HydrophobicContact CB-CG2 4.16Å; R550-V554 WeakPolarHBondContact O-CG2 3.35Å; R550-V554 PolarHBondContact O-N 2.97Å; M551-V554 PolarHBondContact O-N 3.17Å; V554-F557 PolarHBondContact O-N 3.38Å; V554-A558 WeakPolarHBondContact O-CB 3.09Å; V554-A558 PolarHBondContact O-N 3.34Å; V554-Y650 HydrophobicContact CG1-CD1 4.31Å; V554-Y650 HydrophobicContact CG1-CD2 4.42Å; V554-Y650 HydrophobicContact CG1-CG 4.04Å; V554-Y650 HydrophobicContact CG2-CD2 3.97Å; V554-Y650 HydrophobicContact CG2-CE1 4.48Å; V554-Y650 HydrophobicContact CG2-CE2 3.89Å; V554-Y650 HydrophobicContact CG2-CG 4.3Å; V554-W652 HydrophobicContact CG1-CH2 4.46Å; V554-W652 HydrophobicContact CG1-CZ3 4.05Å; V554-I677 HydrophobicContact CG1-CD1 4.39Å; V554-I677 HydrophobicContact CG1-CG2 4.16Å
555	A	98.3	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-42.8	173.5	0	0	0	0	0	113.1	M551 Y553 F557 A558 I559 I677 I689 F721	M551-A555 VanDerWaalsContact O-CB 3.23Å; M551-A555 WeakPolarHBondContact O-CB 3.35Å; M551-A555 PolarHBondContact O-N 2.83Å; Y553-A555 VanDerWaalsContact C-N 3.31Å; Y553-A555 PolarHBondContact O-N 3.06Å; A555-F557 VanDerWaalsContact C-N 3.32Å; A555-F557 PolarHBondContact O-N 3.03Å; A555-A558 PolarHBondContact O-N 3.33Å; A555-I559 WeakPolarHBondContact O-CG1 3.48Å; A555-I559 PolarHBondContact O-N 3.18Å; A555-I677 HydrophobicContact CB-CD1 4Å; A555-I689 HydrophobicContact CB-CD1 3.72Å; A555-I689 HydrophobicContact CB-CG1 4.5Å; A555-F721 HydrophobicContact CB-CE1 4.27Å; A555-F721 HydrophobicContact CB-CE2 3.88Å; A555-F721 HydrophobicContact CB-CZ 3.43Å; A555-F721 VanDerWaalsContact CB-CZ 3.43Å
556	A	97.8	Very high	95	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-41.4	174	0	0	0	0	0	111.6	L537 V552 Y553 I559 S560 I740 W741	L537-A556 HydrophobicContact CD1-CB 4.2Å; V552-A556 WeakPolarHBondContact O-CB 3.36Å; V552-A556 PolarHBondContact O-N 3.3Å; Y553-A556 PolarHBondContact O-N 2.85Å; A556-I559 PolarHBondContact O-N 3.31Å; A556-S560 WeakPolarHBondContact O-CB 3.43Å; A556-S560 PolarHBondContact O-N 3.45Å; A556-I740 HydrophobicContact CB-CB 4.39Å; A556-I740 HydrophobicContact CB-CG2 3.59Å; A556-W741 HydrophobicContact CB-CB 4.16Å
557	F	98.6	Very high	94.6	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.022	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-48.8	173.2	174.3	-100	0	0	0	111.5	E531 L532 L537 L538 Y553 V554 A555 I559 S560 F616 V641 W652	E531-F557 WeakPolarHBondContact O-CE2 3.36Å; E531-F557 WeakPolarHBondContact O-CZ 3.3Å; L532-F557 HydrophobicContact CD2-CE2 4.18Å; L532-F557 HydrophobicContact CD2-CZ 3.92Å; L537-F557 HydrophobicContact CB-CB 4Å; L537-F557 HydrophobicContact CD1-CB 4.16Å; L538-F557 HydrophobicContact CD1-CD1 4.24Å; L538-F557 HydrophobicContact CD1-CD2 4.28Å; L538-F557 HydrophobicContact CD1-CE1 3.96Å; L538-F557 HydrophobicContact CD1-CE2 4Å; L538-F557 HydrophobicContact CD1-CG 4.4Å; L538-F557 HydrophobicContact CD1-CZ 3.84Å; L538-F557 HydrophobicContact CD2-CB 3.97Å; L538-F557 HydrophobicContact CD2-CD1 3.7Å; L538-F557 HydrophobicContact CD2-CD2 4.17Å; L538-F557 HydrophobicContact CD2-CE1 4.25Å; L538-F557 HydrophobicContact CD2-CG 3.66Å; L538-F557 HydrophobicContact CG-CD1 4.15Å; L538-F557 HydrophobicContact CG-CD2 3.88Å; L538-F557 HydrophobicContact CG-CE1 4.35Å; L538-F557 HydrophobicContact CG-CE2 4.1Å; L538-F557 HydrophobicContact CG-CG 3.91Å; L538-F557 HydrophobicContact CG-CZ 4.34Å; Y553-F557 PolarHBondContact O-N 3.27Å; V554-F557 PolarHBondContact O-N 3.38Å; A555-F557 VanDerWaalsContact C-N 3.32Å; A555-F557 PolarHBondContact O-N 3.03Å; F557-I559 PolarHBondContact O-N 2.92Å; F557-S560 WeakPolarHBondContact O-CB 3.48Å; F557-S560 PolarHBondContact O-N 3.23Å; F557-S560 PolarHBondContact O-OG 3.15Å; F557-F616 AromaticContact CE1-CD2 3.93Å; F557-F616 HydrophobicContact CE1-CD2 3.93Å; F557-F616 AromaticContact CE1-CE2 3.8Å; F557-F616 HydrophobicContact CE1-CE2 3.8Å; F557-F616 AromaticContact CZ-CD2 3.97Å; F557-F616 HydrophobicContact CZ-CD2 3.97Å; F557-F616 AromaticContact CZ-CE2 3.81Å; F557-F616 HydrophobicContact CZ-CE2 3.81Å; F557-V641 HydrophobicContact CE1-CG2 4.36Å; F557-W652 AromaticContact CD1-CH2 3.78Å; F557-W652 HydrophobicContact CD1-CH2 3.78Å; F557-W652 AromaticContact CD1-CZ2 3.88Å; F557-W652 HydrophobicContact CD1-CZ2 3.88Å; F557-W652 AromaticContact CE1-CH2 3.81Å; F557-W652 HydrophobicContact CE1-CH2 3.81Å; F557-W652 AromaticContact CE1-CZ2 3.89Å; F557-W652 HydrophobicContact CE1-CZ2 3.89Å
558	A	98.4	Very high	94.2	Very high	8 Å²	8	17.8 Å²	17.8	7%	0.066	9%	0.091	C	C	.	.	H	α-helix	trans	-58.9	-31.9	177.6	0	0	0	0	0	113.7	V554 A555 Y562 W652 I677	V554-A558 WeakPolarHBondContact O-CB 3.09Å; V554-A558 PolarHBondContact O-N 3.34Å; A555-A558 PolarHBondContact O-N 3.33Å; A558-Y562 WeakPolarHBondContact O-CE2 3.38Å; A558-W652 HydrophobicContact CB-CD2 4.32Å; A558-W652 HydrophobicContact CB-CZ2 3.86Å; A558-I677 HydrophobicContact CB-CD1 3.89Å
559	I	98.2	Very high	93.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-77.9	-37.5	173.8	-64.7	161.3	0	0	0	111.7	A555 A556 F557 G561 Y562 I689 F691 V706 F721 W725 I729 W741	A555-I559 WeakPolarHBondContact O-CG1 3.48Å; A555-I559 PolarHBondContact O-N 3.18Å; A556-I559 PolarHBondContact O-N 3.31Å; F557-I559 PolarHBondContact O-N 2.92Å; I559-G561 PolarHBondContact O-N 2.84Å; I559-Y562 WeakPolarHBondContact O-CD2 3.43Å; I559-Y562 PolarHBondContact O-N 2.77Å; I559-Y562 VanDerWaalsContact O-N 3.09Å; I559-I689 HydrophobicContact CD1-CD1 4.21Å; I559-I689 HydrophobicContact CD1-CG2 3.93Å; I559-I689 HydrophobicContact CG1-CD1 4.18Å; I559-I689 HydrophobicContact CG1-CG2 4.13Å; I559-F691 HydrophobicContact CG1-CE2 4.46Å; I559-F691 HydrophobicContact CG1-CZ 4.19Å; I559-F691 HydrophobicContact CG2-CZ 4.38Å; I559-V706 HydrophobicContact CD1-CG1 3.76Å; I559-V706 HydrophobicContact CG1-CG1 4.18Å; I559-F721 HydrophobicContact CD1-CE2 4.01Å; I559-W725 HydrophobicContact CG2-CB 4.03Å; I559-I729 HydrophobicContact CD1-CD1 3.99Å; I559-I729 HydrophobicContact CD1-CG1 4.01Å; I559-I729 HydrophobicContact CG2-CD1 4.15Å; I559-I729 HydrophobicContact CG2-CG1 3.98Å; I559-W741 HydrophobicContact CG2-CZ3 4.35Å
560	S	97.3	Very high	92.9	Very high	1 Å²	1	21 Å²	21	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-33.1	-172.9	75.2	0	0	0	0	114	A556 F557 Y562 S563 W741	A556-S560 WeakPolarHBondContact O-CB 3.43Å; A556-S560 PolarHBondContact O-N 3.45Å; F557-S560 WeakPolarHBondContact O-CB 3.48Å; F557-S560 PolarHBondContact O-N 3.23Å; F557-S560 PolarHBondContact O-OG 3.15Å; S560-Y562 PolarHBondContact O-N 2.96Å; S560-Y562 VanDerWaalsContact O-N 3.1Å; S560-S563 WeakPolarHBondContact O-CB 3.28Å; S560-S563 PolarHBondContact O-N 2.9Å; S560-S563 PolarHBondContact O-OG 3.45Å; S560-W741 VanDerWaalsContact CB-CE2 3.49Å
561	G	95.2	Very high	92.6	Very high	24 Å²	24	21.9 Å²	21.9	25%	0.247	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.9	178	0	0	0	0	0	115.2	I559	I559-G561 PolarHBondContact O-N 2.84Å
562	Y	94.9	Very high	92.1	Very high	21 Å²	21	25.5 Å²	25.5	8%	0.082	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.6	173.1	-62.3	-90	0	0	0	113.4	A558 I559 S560 T564 A565 K654 V655 H671 F691 W725	A558-Y562 WeakPolarHBondContact O-CE2 3.38Å; I559-Y562 WeakPolarHBondContact O-CD2 3.43Å; I559-Y562 PolarHBondContact O-N 2.77Å; I559-Y562 VanDerWaalsContact O-N 3.09Å; S560-Y562 PolarHBondContact O-N 2.96Å; S560-Y562 VanDerWaalsContact O-N 3.1Å; Y562-T564 VanDerWaalsContact C-N 3.31Å; Y562-T564 PolarHBondContact O-N 2.87Å; Y562-A565 VanDerWaalsContact O-CB 3.22Å; Y562-A565 WeakPolarHBondContact O-CB 3.25Å; Y562-A565 PolarHBondContact O-N 3.21Å; Y562-A565 VanDerWaalsContact O-N 3.15Å; Y562-K654 WeakPolarHBondContact OH-CA 3.27Å; Y562-K654 WeakPolarHBondContact OH-CB 3.36Å; Y562-K654 WeakPolarHBondContact OH-CG 3.01Å; Y562-V655 HydrophobicContact CD1-CG2 4.43Å; Y562-V655 HydrophobicContact CE1-CG2 3.62Å; Y562-V655 PolarHBondContact OH-N 3.38Å; Y562-V655 VanDerWaalsContact OH-N 3.1Å; Y562-H671 HydrophobicContact CD1-CB 4.49Å; Y562-H671 AromaticContact CD1-CE1 3.81Å; Y562-H671 AromaticContact CD1-CG 3.85Å; Y562-H671 AromaticContact CD1-ND1 3.63Å; Y562-F691 AromaticContact CD2-CE1 3.96Å; Y562-F691 HydrophobicContact CD2-CE1 3.96Å; Y562-F691 AromaticContact CD2-CZ 3.6Å; Y562-F691 HydrophobicContact CD2-CZ 3.6Å; Y562-F691 HydrophobicContact CE2-CE1 4.37Å; Y562-F691 HydrophobicContact CE2-CE2 4.36Å; Y562-F691 AromaticContact CE2-CZ 3.72Å; Y562-F691 HydrophobicContact CE2-CZ 3.72Å; Y562-F691 HydrophobicContact CG-CE1 4.07Å; Y562-F691 HydrophobicContact CG-CZ 4.19Å; Y562-W725 WeakPolarHBondContact O-CZ3 3.33Å
563	S	91.4	Very high	92	Very high	7 Å²	7	26.5 Å²	26.5	5%	0.049	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-59.6	-35.6	-172.6	63.5	0	0	0	0	114.4	S560 A565 M566	S560-S563 WeakPolarHBondContact O-CB 3.28Å; S560-S563 PolarHBondContact O-N 2.9Å; S560-S563 PolarHBondContact O-OG 3.45Å; S563-A565 PolarHBondContact O-N 3.2Å; S563-A565 VanDerWaalsContact O-N 3.11Å; S563-M566 WeakPolarHBondContact O-CB 3.31Å; S563-M566 PolarHBondContact O-N 2.94Å; S563-M566 VanDerWaalsContact O-N 3.13Å
564	T	85.6	Confident	91.8	Very high	20 Å²	20	25.9 Å²	25.9	12%	0.123	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-64.4	-17.9	-178.4	69.3	0	0	0	0	113.2	Y562 M566 R568	Y562-T564 VanDerWaalsContact C-N 3.31Å; Y562-T564 PolarHBondContact O-N 2.87Å; T564-M566 VanDerWaalsContact C-N 3.25Å; T564-M566 PolarHBondContact O-N 3.27Å; T564-R568 WeakPolarHBondContact O-CG 3.36Å
565	A	86.2	Confident	91.5	Very high	13 Å²	13	28.5 Å²	28.5	11%	0.107	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.9	174.9	0	0	0	0	0	113.4	Y562 S563 F567 L669 H671 W725	Y562-A565 VanDerWaalsContact O-CB 3.22Å; Y562-A565 WeakPolarHBondContact O-CB 3.25Å; Y562-A565 PolarHBondContact O-N 3.21Å; Y562-A565 VanDerWaalsContact O-N 3.15Å; S563-A565 PolarHBondContact O-N 3.2Å; S563-A565 VanDerWaalsContact O-N 3.11Å; A565-F567 PolarHBondContact O-N 3.3Å; A565-L669 HydrophobicContact CB-CD1 3.99Å; A565-L669 VanDerWaalsContact O-CD1 3.31Å; A565-L669 WeakPolarHBondContact O-CD1 3.17Å; A565-H671 WeakPolarHBondContact CB-NE2 3.02Å; A565-W725 HydrophobicContact CB-CH2 4.15Å; A565-W725 HydrophobicContact CB-CZ3 4.01Å
566	M	85.8	Confident	91.4	Very high	79 Å²	79	28.5 Å²	28.5	39%	0.389	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-56.5	-38.7	-178.8	-178.6	179.6	177.1	0	0	112.4	S563 T564 W725 H726	S563-M566 WeakPolarHBondContact O-CB 3.31Å; S563-M566 PolarHBondContact O-N 2.94Å; S563-M566 VanDerWaalsContact O-N 3.13Å; T564-M566 VanDerWaalsContact C-N 3.25Å; T564-M566 PolarHBondContact O-N 3.27Å; M566-W725 HydrophobicContact CB-CH2 4.38Å; M566-W725 HydrophobicContact CB-CZ3 4.12Å; M566-H726 HydrophobicContact CB-CB 4.19Å; M566-H726 HydrophobicContact CG-CB 4.27Å; M566-H726 HydrophobicContact SD-CB 3.78Å
567	F	87.3	Confident	91.3	Very high	47 Å²	47	28.6 Å²	28.6	21%	0.206	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-15.7	-171.1	-51.7	-67	0	0	0	113.6	A565 Q746 Y750 G755	A565-F567 PolarHBondContact O-N 3.3Å; F567-Q746 HydrophobicContact CD1-CG 4.32Å; F567-Q746 VanDerWaalsContact CD2-CD 3.46Å; F567-Q746 HydrophobicContact CD2-CG 3.84Å; F567-Q746 HydrophobicContact CE1-CG 3.93Å; F567-Q746 VanDerWaalsContact CE2-CD 3.4Å; F567-Q746 HydrophobicContact CE2-CG 3.43Å; F567-Q746 VanDerWaalsContact CE2-CG 3.43Å; F567-Q746 HydrophobicContact CG-CG 4.27Å; F567-Q746 HydrophobicContact CZ-CG 3.47Å; F567-Q746 VanDerWaalsContact CZ-CG 3.47Å; F567-Y750 HydrophobicContact CB-CD2 4.39Å; F567-Y750 HydrophobicContact CB-CE2 4.22Å; F567-Y750 HydrophobicContact CD1-CD2 4.26Å; F567-Y750 AromaticContact CD1-CE2 3.48Å; F567-Y750 HydrophobicContact CD1-CE2 3.48Å; F567-Y750 VanDerWaalsContact CD1-CE2 3.48Å; F567-Y750 HydrophobicContact CE1-CE2 4.09Å; F567-Y750 HydrophobicContact CG-CD2 4.35Å; F567-Y750 AromaticContact CG-CE2 3.99Å; F567-Y750 HydrophobicContact CG-CE2 3.99Å; F567-G755 WeakPolarHBondContact CB-O 3.49Å
568	R	87.3	Confident	91.2	Very high	9 Å²	9	29.2 Å²	29.2	3%	0.034	15%	0.145	C	C	.	.			trans	-114.4	46.4	-164.5	-60.2	178.7	67.3	175.9	0.2	113.3	E520 R527 E530 T564 G755 F756	E520-R568 IonicContact OE1-NH2 2.65Å; E520-R568 PolarHBondContact OE1-NH2 2.92Å; E520-R568 IonicContact OE2-CZ 2.68Å; E520-R568 VanDerWaalsContact OE2-CZ 3.3Å; E520-R568 IonicContact OE2-NE 3.03Å; E520-R568 PolarHBondContact OE2-NE 3.05Å; E520-R568 IonicContact OE2-NH2 2.65Å; E520-R568 PolarHBondContact OE2-NH2 3.19Å; R527-R568 VanDerWaalsContact CZ-NH2 3.3Å; R527-R568 VanDerWaalsContact NE-NH2 3.14Å; E530-R568 IonicContact OE1-CZ 3.85Å; E530-R568 IonicContact OE1-NH1 3.71Å; E530-R568 PolarHBondContact OE1-NH1 3.09Å; E530-R568 IonicContact OE1-NH2 3.45Å; E530-R568 PolarHBondContact OE1-NH2 3Å; E530-R568 IonicContact OE2-CZ 2.66Å; E530-R568 IonicContact OE2-NH1 2.71Å; E530-R568 PolarHBondContact OE2-NH1 3.45Å; T564-R568 WeakPolarHBondContact O-CG 3.36Å; R568-G755 WeakPolarHBondContact CD-O 3.47Å; R568-G755 WeakPolarHBondContact CG-O 3.49Å; R568-F756 VanDerWaalsContact CZ-CE1 3.46Å
569	N	81.9	Confident	91.1	Very high	39 Å²	39	29 Å²	29	21%	0.209	15%	0.145	C	C	.	.	S	Bend	trans	-92.5	-8.8	-177.9	63.7	27.4	0	0	0	114.9	R667 L669	N569-R667 PolarHBondContact ND2-O 3.2Å; N569-L669 HydrophobicContact CB-CD1 3.79Å; N569-L669 HydrophobicContact CB-CG 4.07Å
570	R	81.8	Confident	91.2	Very high	140 Å²	140	29 Å²	29	53%	0.528	15%	0.145	S	C	.	.	S	Bend	trans	-90.9	-31.8	-175.7	-59.7	-167.5	-177.2	-155.7	1.8	114.6	R667	R570-R667 PolarHBondContact O-NH1 2.92Å
571	Y	88.1	Confident	91.2	Very high	30 Å²	30	29 Å²	29	12%	0.118	14%	0.144	C	C	.	.			trans	-118.9	157.8	-168.2	-57.9	-78.7	0	0	0	112.1	C489 P490 N492 N519 E520 Y754	C489-Y571 HydrophobicContact CB-CE1 4.5Å; C489-Y571 HydrophobicContact CB-CE2 4.26Å; C489-Y571 WeakPolarHBondContact CB-OH 3.21Å; C489-Y571 PolarHBondContact SG-OH 2.96Å; P490-Y571 PolarHBondContact O-OH 2.94Å; N492-Y571 WeakPolarHBondContact ND2-CE1 3.25Å; N519-Y571 VanDerWaalsContact O-CD1 3.29Å; N519-Y571 WeakPolarHBondContact O-CD1 3.48Å; E520-Y571 HydrophobicContact CB-CG 4.41Å; Y571-Y754 AromaticContact CD1-CD1 3.89Å; Y571-Y754 HydrophobicContact CD1-CD1 3.89Å; Y571-Y754 HydrophobicContact CD1-CE1 4.18Å; Y571-Y754 AromaticContact CD2-CD1 3.69Å; Y571-Y754 HydrophobicContact CD2-CD1 3.69Å; Y571-Y754 HydrophobicContact CD2-CG 4.35Å; Y571-Y754 AromaticContact CE1-CD1 3.94Å; Y571-Y754 HydrophobicContact CE1-CD1 3.94Å; Y571-Y754 HydrophobicContact CE1-CE1 4.07Å; Y571-Y754 AromaticContact CE2-CD1 3.76Å; Y571-Y754 HydrophobicContact CE2-CD1 3.76Å; Y571-Y754 HydrophobicContact CE2-CG 4.36Å; Y571-Y754 AromaticContact CG-CD1 3.78Å; Y571-Y754 HydrophobicContact CG-CD1 3.78Å; Y571-Y754 HydrophobicContact CG-CE1 4.5Å; Y571-Y754 AromaticContact CZ-CD1 3.89Å
572	K	88.5	Confident	91.4	Very high	76 Å²	76	27.9 Å²	27.9	33%	0.33	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.9	178.6	-174.8	-168.3	173.9	-175.8	0	110.4	M514 L518 N519 E520	M514-K572 HydrophobicContact CG-CD 3.72Å; L518-K572 PolarHBondContact O-N 3.3Å; N519-K572 CarbonylContact C-O 3.47Å; N519-K572 WeakPolarHBondContact CA-O 3.3Å; N519-K572 PolarHBondContact ND2-O 3.46Å; E520-K572 VanDerWaalsContact CG-C 3.48Å; E520-K572 WeakPolarHBondContact CG-O 3.45Å; E520-K572 PolarHBondContact N-O 3.38Å; E520-K572 VanDerWaalsContact N-O 3.09Å
573	P	92.7	Very high	91.6	Very high	22 Å²	22	27 Å²	27	14%	0.143	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	149.8	170.3	24.3	-32.9	0	0	0	111.3	N519 E520 V522 L524 R527 N575	N519-P573 PolarHBondContact ND2-O 3.23Å; E520-P573 WeakPolarHBondContact OE1-CA 3.35Å; E520-P573 WeakPolarHBondContact OE1-CB 3.31Å; E520-P573 WeakPolarHBondContact OE1-CD 3.46Å; V522-P573 CarbonylContact O-C 3.49Å; V522-P573 VanDerWaalsContact O-CA 3.25Å; V522-P573 WeakPolarHBondContact O-CA 3.13Å; V522-P573 WeakPolarHBondContact O-CB 3.2Å; L524-P573 HydrophobicContact CD2-CB 4.2Å; L524-P573 HydrophobicContact CD2-CG 3.58Å; L524-P573 HydrophobicContact CG-CG 4.32Å; R527-P573 HydrophobicContact CG-CB 3.91Å; R527-P573 HydrophobicContact CG-CG 4.11Å; P573-N575 PolarHBondContact O-N 3.28Å
574	F	94.2	Very high	91.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	138.9	170.5	-79.6	-96.1	0	0	0	110.2	N519 E520 V522 N523 L524 P576 D784 Q785 L788 K800	N519-F574 HydrophobicContact CB-CD2 4.2Å; N519-F574 HydrophobicContact CB-CE2 3.83Å; N519-F574 HydrophobicContact CB-CZ 4.03Å; E520-F574 WeakPolarHBondContact O-CD2 3.36Å; E520-F574 VanDerWaalsContact O-CE2 3.3Å; E520-F574 WeakPolarHBondContact O-CE2 3.24Å; V522-F574 PolarHBondContact O-N 3.42Å; N523-F574 VanDerWaalsContact CA-O 3.27Å; N523-F574 WeakPolarHBondContact CA-O 3.15Å; N523-F574 HydrophobicContact CB-CB 3.86Å; N523-F574 WeakPolarHBondContact CB-O 3.4Å; L524-F574 PolarHBondContact N-O 2.91Å; L524-F574 VanDerWaalsContact N-O 3.16Å; F574-P576 WeakPolarHBondContact O-CD 3.43Å; F574-D784 HydrophobicContact CE1-CB 4.46Å; F574-D784 WeakPolarHBondContact CE1-OD2 3.46Å; F574-Q785 HydrophobicContact CD2-CB 4.09Å; F574-Q785 HydrophobicContact CD2-CG 3.76Å; F574-Q785 HydrophobicContact CE2-CB 3.99Å; F574-Q785 HydrophobicContact CE2-CG 3.82Å; F574-Q785 HydrophobicContact CG-CB 4.42Å; F574-Q785 HydrophobicContact CG-CG 4.44Å; F574-Q785 HydrophobicContact CZ-CB 4.22Å; F574-L788 HydrophobicContact CE2-CB 4.5Å; F574-L788 HydrophobicContact CE2-CD2 3.67Å; F574-L788 HydrophobicContact CZ-CB 4.29Å; F574-L788 HydrophobicContact CZ-CD2 3.88Å; F574-K800 HydrophobicContact CD1-CD 4.46Å; F574-K800 HydrophobicContact CE1-CD 4.01Å; F574-K800 HydrophobicContact CE1-CG 4.47Å
575	N	92.4	Very high	92.5	Very high	55 Å²	55	28.2 Å²	28.2	29%	0.294	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-78.5	120.4	170.3	-168.9	25.8	0	0	0	108	P573 R782	P573-N575 PolarHBondContact O-N 3.28Å; N575-R782 PolarHBondContact O-NH1 2.95Å
576	P	95.4	Very high	93	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-66.3	147.6	-179.7	-17.3	30.9	0	0	0	111.3	N523 L524 L525 F574 E580 Q597	N523-P576 HydrophobicContact CB-CG 4.13Å; L524-P576 HydrophobicContact CB-CG 3.9Å; L525-P576 HydrophobicContact CD1-CB 4.14Å; L525-P576 HydrophobicContact CD1-CG 4.42Å; L525-P576 HydrophobicContact CD2-CB 4.38Å; L525-P576 HydrophobicContact CD2-CG 4.06Å; L525-P576 HydrophobicContact CG-CB 3.92Å; L525-P576 HydrophobicContact CG-CG 3.67Å; F574-P576 WeakPolarHBondContact O-CD 3.43Å; P576-E580 VanDerWaalsContact CA-OE2 3.28Å; P576-E580 WeakPolarHBondContact CA-OE2 3.13Å; P576-E580 HydrophobicContact CB-CB 4.18Å; P576-E580 HydrophobicContact CB-CG 4.41Å; P576-Q597 HydrophobicContact CB-CB 3.89Å; P576-Q597 HydrophobicContact CB-CG 3.89Å
577	V	95.9	Very high	93.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-81	155.2	171.8	-56.9	0	0	0	0	111.2	G579 E580 Q597 V803 Q807 L861	V577-G579 PolarHBondContact O-N 3.14Å; V577-G579 VanDerWaalsContact O-N 3.14Å; V577-E580 HydrophobicContact CG2-CB 3.92Å; V577-E580 WeakPolarHBondContact CG2-OE2 3.47Å; V577-E580 PolarHBondContact N-OE2 3.12Å; V577-E580 WeakPolarHBondContact O-CB 3.46Å; V577-E580 PolarHBondContact O-N 3.32Å; V577-Q597 VanDerWaalsContact O-CB 3.23Å; V577-Q597 WeakPolarHBondContact O-CB 3.47Å; V577-Q597 WeakPolarHBondContact O-CG 3.48Å; V577-V803 HydrophobicContact CG1-CG1 3.65Å; V577-Q807 VanDerWaalsContact CA-OE1 3.29Å; V577-Q807 HydrophobicContact CB-CB 4.44Å; V577-Q807 HydrophobicContact CB-CG 4.44Å; V577-Q807 HydrophobicContact CG1-CB 4.33Å; V577-L861 HydrophobicContact CG2-CB 4.12Å; V577-L861 HydrophobicContact CG2-CD1 3.96Å; V577-L861 HydrophobicContact CG2-CD2 3.99Å; V577-L861 HydrophobicContact CG2-CG 4.25Å
578	L	96.4	Very high	93.6	Very high	17 Å²	17	32.1 Å²	32.1	9%	0.089	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	112.7	-175.3	-173.7	59.9	0	0	0	112.3	H600 R810 R811 H821	L578-H600 HydrophobicContact CB-CB 4.2Å; L578-H600 HydrophobicContact CD1-CB 4.1Å; L578-R810 PolarHBondContact O-NH1 2.92Å; L578-R811 HydrophobicContact CD2-CG 4.22Å; L578-H821 VanDerWaalsContact CD1-CD2 3.47Å; L578-H821 WeakPolarHBondContact CD1-CD2 3.34Å; L578-H821 HydrophobicContact CD2-CB 3.76Å; L578-H821 HydrophobicContact CG-CB 4.1Å; L578-H821 VanDerWaalsContact CG-CD2 3.45Å; L578-H821 WeakPolarHBondContact CG-CD2 3.39Å
579	G	97.4	Very high	93.9	Very high	5 Å²	5	34.2 Å²	34.2	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	10.6	-172.1	0	0	0	0	0	115.6	V577 Q597	V577-G579 PolarHBondContact O-N 3.14Å; V577-G579 VanDerWaalsContact O-N 3.14Å; G579-Q597 PolarHBondContact N-O 3.38Å
580	E	98.6	Very high	94.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.			trans	-64.8	147.4	161.4	-169.2	173.8	150.8	0	0	109.4	N523 L525 P576 V577 E596 Q597 R782 L861 W862	N523-E580 PolarHBondContact ND2-OE1 3.32Å; L525-E580 HydrophobicContact CD1-CB 4.23Å; L525-E580 HydrophobicContact CD1-CG 4.16Å; L525-E580 VanDerWaalsContact CD1-O 3.28Å; L525-E580 WeakPolarHBondContact CD1-O 3.37Å; P576-E580 VanDerWaalsContact CA-OE2 3.28Å; P576-E580 WeakPolarHBondContact CA-OE2 3.13Å; P576-E580 HydrophobicContact CB-CB 4.18Å; P576-E580 HydrophobicContact CB-CG 4.41Å; V577-E580 HydrophobicContact CG2-CB 3.92Å; V577-E580 WeakPolarHBondContact CG2-OE2 3.47Å; V577-E580 PolarHBondContact N-OE2 3.12Å; V577-E580 WeakPolarHBondContact O-CB 3.46Å; V577-E580 PolarHBondContact O-N 3.32Å; E580-E596 WeakPolarHBondContact O-CA 3.33Å; E580-Q597 PolarHBondContact O-N 3.17Å; E580-R782 VanDerWaalsContact OE1-CD 3.24Å; E580-R782 WeakPolarHBondContact OE1-CD 3.39Å; E580-R782 IonicContact OE1-NH1 2.96Å; E580-R782 PolarHBondContact OE1-NH1 3.36Å; E580-R782 IonicContact OE2-CZ 3.97Å; E580-R782 IonicContact OE2-NH1 3.4Å; E580-R782 PolarHBondContact OE2-NH1 3.4Å; E580-L861 HydrophobicContact CB-CD1 4.18Å; E580-W862 HydrophobicContact CG-CH2 4.37Å; E580-W862 HydrophobicContact CG-CZ3 4.09Å
581	T	98.8	Very high	95.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.4	-176.3	51.3	0	0	0	0	112.1	S595 E596 T777 D778 T779 F825	T581-S595 CarbonylContact C-O 3.59Å; T581-S595 WeakPolarHBondContact CA-O 3.34Å; T581-S595 WeakPolarHBondContact CB-O 3.42Å; T581-E596 HydrophobicContact CG2-CB 4.13Å; T581-E596 HydrophobicContact CG2-CG 4.01Å; T581-T777 PolarHBondContact N-O 2.96Å; T581-T777 WeakPolarHBondContact OG1-CB 3.43Å; T581-T777 PolarHBondContact OG1-O 3.47Å; T581-T777 PolarHBondContact OG1-OG1 3.49Å; T581-D778 CarbonylContact O-C 3.59Å; T581-D778 WeakPolarHBondContact O-CA 3.35Å; T581-D778 PolarHBondContact OG1-N 3.44Å; T581-T779 PolarHBondContact O-N 3.41Å; T581-T779 PolarHBondContact O-OG1 3.01Å; T581-F825 HydrophobicContact CG2-CD2 3.93Å; T581-F825 HydrophobicContact CG2-CE2 3.95Å
582	F	98.9	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	127.3	168.2	178.9	-115	0	0	0	110.9	L525 Q526 C529 C584 F593 V594 S595 L763 D778 R780	L525-F582 HydrophobicContact CB-CB 3.81Å; L525-F582 HydrophobicContact CD1-CB 4.49Å; Q526-F582 HydrophobicContact CB-CE1 4.41Å; Q526-F582 HydrophobicContact CG-CD1 3.73Å; Q526-F582 HydrophobicContact CG-CD2 3.64Å; Q526-F582 HydrophobicContact CG-CE1 3.68Å; Q526-F582 HydrophobicContact CG-CE2 3.54Å; Q526-F582 HydrophobicContact CG-CG 3.73Å; Q526-F582 HydrophobicContact CG-CZ 3.59Å; C529-F582 HydrophobicContact CB-CD1 4.37Å; C529-F582 HydrophobicContact CB-CE1 3.85Å; F582-C584 HydrophobicContact CE1-CB 3.87Å; F582-C584 HydrophobicContact CZ-CB 4.1Å; F582-F593 HydrophobicContact CD1-CD1 4.27Å; F582-F593 AromaticContact CD1-CE1 3.89Å; F582-F593 HydrophobicContact CD1-CE1 3.89Å; F582-F593 HydrophobicContact CE1-CE1 4.46Å; F582-V594 CarbonylContact O-C 3.6Å; F582-V594 WeakPolarHBondContact O-CA 3.01Å; F582-S595 PolarHBondContact N-O 3.44Å; F582-S595 PolarHBondContact O-N 3.12Å; F582-L763 HydrophobicContact CE1-CD2 4.15Å; F582-L763 WeakPolarHBondContact CE2-O 3.44Å; F582-L763 HydrophobicContact CZ-CB 4.09Å; F582-L763 HydrophobicContact CZ-CD2 4.01Å; F582-L763 WeakPolarHBondContact CZ-O 3.35Å; F582-D778 WeakPolarHBondContact CA-OD2 3.4Å; F582-R780 VanDerWaalsContact CE2-NH1 3.27Å
583	E	98.7	Very high	96.3	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	153.6	164.6	64.5	165.5	-131.2	0	0	113.1	F593 L774 D778 R780 Y844 W845 R848	E583-F593 CarbonylContact C-O 3.55Å; E583-F593 WeakPolarHBondContact CA-O 3.42Å; E583-L774 HydrophobicContact CG-CD2 3.59Å; E583-D778 PolarHBondContact N-OD2 3.45Å; E583-R780 VanDerWaalsContact O-CZ 3.24Å; E583-R780 PolarHBondContact O-NH1 3.33Å; E583-R780 PolarHBondContact O-NH2 3.45Å; E583-Y844 HydrophobicContact CB-CE1 3.95Å; E583-Y844 WeakPolarHBondContact CB-OH 3.47Å; E583-Y844 WeakPolarHBondContact OE2-CE1 3.49Å; E583-Y844 PolarHBondContact OE2-OH 2.78Å; E583-W845 HydrophobicContact CB-CH2 4.09Å; E583-W845 HydrophobicContact CB-CZ3 4.4Å; E583-R848 IonicContact OE1-CZ 2.93Å; E583-R848 IonicContact OE1-NE 2.73Å; E583-R848 PolarHBondContact OE1-NE 3.42Å; E583-R848 IonicContact OE1-NH2 2.7Å; E583-R848 PolarHBondContact OE1-NH2 2.83Å; E583-R848 WeakPolarHBondContact OE2-CD 3.49Å; E583-R848 IonicContact OE2-CZ 3.31Å; E583-R848 IonicContact OE2-NE 3.85Å; E583-R848 PolarHBondContact OE2-NE 3.48Å; E583-R848 IonicContact OE2-NH2 2.69Å
584	C	98.4	Very high	96.6	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.034	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	120	167.2	-167.4	0	0	0	0	109.9	F582 R592 F593	F582-C584 HydrophobicContact CE1-CB 3.87Å; F582-C584 HydrophobicContact CZ-CB 4.1Å; C584-R592 CarbonylContact O-C 3.35Å; C584-F593 HydrophobicContact CB-CB 4.29Å; C584-F593 HydrophobicContact CB-CD1 4.37Å; C584-F593 PolarHBondContact N-O 3.01Å; C584-F593 PolarHBondContact O-N 2.91Å
585	I	97.8	Very high	96.9	Very high	48 Å²	48	26.7 Å²	26.7	25%	0.246	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128	173.3	-57.6	174	0	0	0	107.6	R481 R592 W845	R481-I585 PolarHBondContact NH2-O 2.89Å; I585-R592 HydrophobicContact CG1-CB 4.23Å; I585-W845 HydrophobicContact CD1-CZ3 4.03Å; I585-W845 HydrophobicContact CG1-CH2 4.12Å; I585-W845 HydrophobicContact CG1-CZ3 4.08Å
586	R	95.9	Very high	97.2	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	79.7	-178	-63.3	-58.1	-62.9	-126.8	9.4	109.7	D588 R589 G590 F591 F759 E762	R586-D588 WeakPolarHBondContact CA-OD1 3.31Å; R586-D588 WeakPolarHBondContact CB-OD1 3.43Å; R586-D588 IonicContact CZ-OD1 3.86Å; R586-D588 IonicContact CZ-OD2 2.67Å; R586-D588 IonicContact NE-OD1 2.65Å; R586-D588 PolarHBondContact NE-OD1 3.01Å; R586-D588 IonicContact NE-OD2 2.73Å; R586-D588 PolarHBondContact NE-OD2 3.16Å; R586-D588 IonicContact NH2-OD1 3.94Å; R586-D588 IonicContact NH2-OD2 3.13Å; R586-D588 PolarHBondContact NH2-OD2 3.12Å; R586-D588 PolarHBondContact O-N 2.85Å; R586-R589 HydrophobicContact CB-CB 3.96Å; R586-R589 CarbonylContact O-C 3.59Å; R586-R589 WeakPolarHBondContact O-CA 3.18Å; R586-R589 PolarHBondContact O-N 2.73Å; R586-G590 PolarHBondContact O-N 3.39Å; R586-F591 HydrophobicContact CB-CD1 4.08Å; R586-F591 HydrophobicContact CB-CE1 3.84Å; R586-F591 HydrophobicContact CB-CE2 4.28Å; R586-F591 HydrophobicContact CB-CG 4.41Å; R586-F591 HydrophobicContact CB-CZ 3.95Å; R586-F591 HydrophobicContact CG-CE1 3.88Å; R586-F591 HydrophobicContact CG-CE2 3.91Å; R586-F591 HydrophobicContact CG-CZ 3.52Å; R586-F591 PolarHBondContact N-O 2.96Å; R586-F591 PolarHBondContact O-N 3.38Å; R586-F759 HydrophobicContact CG-CE2 4.44Å; R586-E762 IonicContact CZ-OE2 3.63Å; R586-E762 IonicContact NH1-OE2 2.73Å; R586-E762 PolarHBondContact NH1-OE2 3Å; R586-E762 IonicContact NH2-OE1 3.2Å; R586-E762 IonicContact NH2-OE2 3.22Å; R586-E762 PolarHBondContact NH2-OE2 3.49Å
587	D	93.8	Very high	97.3	Very high	137 Å²	137	24.2 Å²	24.2	73%	0.733	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-60.1	-30	175.1	-46.7	-65.4	0	0	0	111.3	R589	D587-R589 PolarHBondContact O-N 3.49Å
588	D	92.6	Very high	97.3	Very high	79 Å²	79	24.3 Å²	24.3	42%	0.422	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-64.7	-13.6	172.5	63.6	-58.9	0	0	0	114.4	R586	R586-D588 WeakPolarHBondContact CA-OD1 3.31Å; R586-D588 WeakPolarHBondContact CB-OD1 3.43Å; R586-D588 IonicContact CZ-OD1 3.86Å; R586-D588 IonicContact CZ-OD2 2.67Å; R586-D588 IonicContact NE-OD1 2.65Å; R586-D588 PolarHBondContact NE-OD1 3.01Å; R586-D588 IonicContact NE-OD2 2.73Å; R586-D588 PolarHBondContact NE-OD2 3.16Å; R586-D588 IonicContact NH2-OD1 3.94Å; R586-D588 IonicContact NH2-OD2 3.13Å; R586-D588 PolarHBondContact NH2-OD2 3.12Å; R586-D588 PolarHBondContact O-N 2.85Å
589	R	93.6	Very high	97.2	Very high	53 Å²	53	25.1 Å²	25.1	20%	0.2	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-135.6	11.7	-176.2	-64.1	168.3	158.9	-81.4	1.8	113.3	E533 S535 E536 R586 D587 F591	E533-R589 PolarHBondContact O-NH1 2.75Å; E533-R589 PolarHBondContact O-NH2 2.98Å; S535-R589 PolarHBondContact OG-NH1 3.46Å; S535-R589 VanDerWaalsContact OG-NH1 3.08Å; E536-R589 IonicContact OE2-CZ 3.4Å; E536-R589 IonicContact OE2-NH1 2.66Å; E536-R589 PolarHBondContact OE2-NH1 3.08Å; E536-R589 IonicContact OE2-NH2 2.68Å; R586-R589 HydrophobicContact CB-CB 3.96Å; R586-R589 CarbonylContact O-C 3.59Å; R586-R589 WeakPolarHBondContact O-CA 3.18Å; R586-R589 PolarHBondContact O-N 2.73Å; D587-R589 PolarHBondContact O-N 3.49Å; R589-F591 VanDerWaalsContact C-N 3.31Å; R589-F591 HydrophobicContact CB-CD1 3.77Å; R589-F591 HydrophobicContact CB-CE1 3.86Å; R589-F591 PolarHBondContact O-N 2.86Å
590	G	96.1	Very high	96.6	Very high	47 Å²	47	25.8 Å²	25.8	49%	0.485	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	31.1	176.3	0	0	0	0	0	116.1	R586 S611	R586-G590 PolarHBondContact O-N 3.39Å; G590-S611 WeakPolarHBondContact O-CA 3.12Å; G590-S611 VanDerWaalsContact O-CB 3.23Å; G590-S611 WeakPolarHBondContact O-CB 3.42Å; G590-S611 PolarHBondContact O-OG 3.3Å
591	F	98.3	Very high	95.8	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.3	177.9	80.8	-102.9	0	0	0	115.1	L532 S535 R586 R589 F593 E610 F614 F759	L532-F591 HydrophobicContact CB-CE1 4.06Å; L532-F591 HydrophobicContact CB-CE2 4.24Å; L532-F591 HydrophobicContact CB-CZ 3.69Å; L532-F591 HydrophobicContact CD1-CD2 4.06Å; L532-F591 HydrophobicContact CD1-CE2 3.69Å; L532-F591 HydrophobicContact CD1-CZ 4.02Å; L532-F591 HydrophobicContact CG-CZ 4.49Å; S535-F591 WeakPolarHBondContact OG-CE1 3.21Å; R586-F591 HydrophobicContact CB-CD1 4.08Å; R586-F591 HydrophobicContact CB-CE1 3.84Å; R586-F591 HydrophobicContact CB-CE2 4.28Å; R586-F591 HydrophobicContact CB-CG 4.41Å; R586-F591 HydrophobicContact CB-CZ 3.95Å; R586-F591 HydrophobicContact CG-CE1 3.88Å; R586-F591 HydrophobicContact CG-CE2 3.91Å; R586-F591 HydrophobicContact CG-CZ 3.52Å; R586-F591 PolarHBondContact N-O 2.96Å; R586-F591 PolarHBondContact O-N 3.38Å; R589-F591 VanDerWaalsContact C-N 3.31Å; R589-F591 HydrophobicContact CB-CD1 3.77Å; R589-F591 HydrophobicContact CB-CE1 3.86Å; R589-F591 PolarHBondContact O-N 2.86Å; F591-F593 HydrophobicContact CD2-CB 4.22Å; F591-F593 HydrophobicContact CE2-CB 3.98Å; F591-E610 WeakPolarHBondContact CA-O 3.45Å; F591-F614 HydrophobicContact CB-CZ 4.05Å; F591-F614 HydrophobicContact CG-CZ 4.47Å; F591-F759 HydrophobicContact CZ-CE2 4.36Å; F591-F759 HydrophobicContact CZ-CZ 4.18Å
592	R	98.5	Very high	95	Very high	95 Å²	95	33.9 Å²	33.9	36%	0.358	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.5	167.5	66.7	-175.7	-173.7	-175.5	0.1	110.9	C584 I585 A609 E610 W845	C584-R592 CarbonylContact O-C 3.35Å; I585-R592 HydrophobicContact CG1-CB 4.23Å; R592-A609 CarbonylContact O-C 3.2Å; R592-A609 WeakPolarHBondContact O-CA 3.41Å; R592-E610 HydrophobicContact CG-CB 4.13Å; R592-E610 IonicContact CZ-OE2 2.73Å; R592-E610 PolarHBondContact N-O 2.78Å; R592-E610 IonicContact NE-OE2 2.71Å; R592-E610 PolarHBondContact NE-OE2 3.04Å; R592-E610 IonicContact NH2-OE2 3.22Å; R592-E610 PolarHBondContact NH2-OE2 2.99Å; R592-E610 PolarHBondContact O-N 2.99Å; R592-W845 HydrophobicContact CB-CH2 3.93Å; R592-W845 HydrophobicContact CB-CZ2 3.66Å; R592-W845 HydrophobicContact CG-CD2 4.44Å; R592-W845 HydrophobicContact CG-CH2 4.42Å; R592-W845 HydrophobicContact CG-CZ2 3.72Å; R592-W845 VanDerWaalsContact CZ-CD1 3.42Å; R592-W845 VanDerWaalsContact NE-CD1 3.33Å
593	F	98.8	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.8	-175.7	169.6	-76	0	0	0	110.5	L528 C529 L532 F582 E583 C584 F591 S595 C607 A609 W845	L528-F593 HydrophobicContact CB-CE2 4.43Å; L528-F593 HydrophobicContact CB-CZ 3.92Å; L528-F593 WeakPolarHBondContact O-CE2 3.49Å; C529-F593 HydrophobicContact CB-CD1 4.06Å; C529-F593 HydrophobicContact CB-CD2 4.31Å; C529-F593 HydrophobicContact CB-CE1 3.8Å; C529-F593 HydrophobicContact CB-CE2 4.03Å; C529-F593 HydrophobicContact CB-CG 4.33Å; C529-F593 HydrophobicContact CB-CZ 3.77Å; L532-F593 HydrophobicContact CD1-CB 4.39Å; L532-F593 HydrophobicContact CD1-CD2 3.67Å; L532-F593 HydrophobicContact CD1-CE2 4.47Å; L532-F593 HydrophobicContact CD1-CG 4.46Å; F582-F593 HydrophobicContact CD1-CD1 4.27Å; F582-F593 AromaticContact CD1-CE1 3.89Å; F582-F593 HydrophobicContact CD1-CE1 3.89Å; F582-F593 HydrophobicContact CE1-CE1 4.46Å; E583-F593 CarbonylContact C-O 3.55Å; E583-F593 WeakPolarHBondContact CA-O 3.42Å; C584-F593 HydrophobicContact CB-CB 4.29Å; C584-F593 HydrophobicContact CB-CD1 4.37Å; C584-F593 PolarHBondContact N-O 3.01Å; C584-F593 PolarHBondContact O-N 2.91Å; F591-F593 HydrophobicContact CD2-CB 4.22Å; F591-F593 HydrophobicContact CE2-CB 3.98Å; F593-S595 WeakPolarHBondContact CE1-OG 3.48Å; F593-C607 HydrophobicContact CE1-CB 4.38Å; F593-C607 HydrophobicContact CE2-CB 3.58Å; F593-C607 HydrophobicContact CZ-CB 3.47Å; F593-C607 VanDerWaalsContact CZ-CB 3.47Å; F593-A609 HydrophobicContact CB-CB 3.98Å; F593-A609 HydrophobicContact CD2-CB 4Å; F593-A609 HydrophobicContact CG-CB 4.43Å; F593-W845 WeakPolarHBondContact O-CH2 3.5Å
594	V	98.8	Very high	94.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.9	170.6	58.5	0	0	0	0	110.6	F582 C607 H608 F826 Y844 W845	F582-V594 CarbonylContact O-C 3.6Å; F582-V594 WeakPolarHBondContact O-CA 3.01Å; V594-C607 CarbonylContact O-C 3.5Å; V594-C607 VanDerWaalsContact O-CA 3.29Å; V594-C607 WeakPolarHBondContact O-CA 3.33Å; V594-H608 HydrophobicContact CG1-CB 4.35Å; V594-H608 PolarHBondContact N-O 3.32Å; V594-H608 PolarHBondContact O-N 3.39Å; V594-F826 HydrophobicContact CG1-CZ 4.47Å; V594-Y844 HydrophobicContact CB-CD1 4.15Å; V594-Y844 HydrophobicContact CB-CE1 4.46Å; V594-Y844 HydrophobicContact CB-CG 4.28Å; V594-Y844 HydrophobicContact CG2-CD1 3.83Å; V594-Y844 HydrophobicContact CG2-CD2 3.55Å; V594-Y844 HydrophobicContact CG2-CE1 4.05Å; V594-Y844 HydrophobicContact CG2-CE2 3.78Å; V594-Y844 HydrophobicContact CG2-CG 3.58Å; V594-W845 HydrophobicContact CB-CZ2 4.06Å; V594-W845 HydrophobicContact CG1-CZ2 4.35Å
595	S	98.8	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156	171.1	61.1	0	0	0	0	113.5	L525 T581 F582 F593 A606	L525-S595 WeakPolarHBondContact CB-OG 3.2Å; L525-S595 PolarHBondContact O-OG 2.82Å; T581-S595 CarbonylContact C-O 3.59Å; T581-S595 WeakPolarHBondContact CA-O 3.34Å; T581-S595 WeakPolarHBondContact CB-O 3.42Å; F582-S595 PolarHBondContact N-O 3.44Å; F582-S595 PolarHBondContact O-N 3.12Å; F593-S595 WeakPolarHBondContact CE1-OG 3.48Å; S595-A606 CarbonylContact C-O 3.57Å; S595-A606 WeakPolarHBondContact CA-O 3.45Å; S595-A606 WeakPolarHBondContact CB-O 3.48Å
596	E	98.8	Very high	94.3	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.1	-178.9	-174.7	172.2	-161.6	0	0	111	E580 T581 V598 A606 P823 R824 F825 F826	E580-E596 WeakPolarHBondContact O-CA 3.33Å; T581-E596 HydrophobicContact CG2-CB 4.13Å; T581-E596 HydrophobicContact CG2-CG 4.01Å; E596-V598 VanDerWaalsContact C-N 3.31Å; E596-V598 HydrophobicContact CB-CG1 4.24Å; E596-V598 HydrophobicContact CG-CG1 4.31Å; E596-V598 PolarHBondContact O-N 3.15Å; E596-A606 PolarHBondContact N-O 3.12Å; E596-A606 PolarHBondContact O-N 3.09Å; E596-P823 HydrophobicContact CG-CB 4.48Å; E596-P823 WeakPolarHBondContact OE1-CA 3.47Å; E596-R824 PolarHBondContact OE1-N 3.09Å; E596-R824 PolarHBondContact OE2-N 2.55Å; E596-F825 PolarHBondContact OE2-N 3.3Å; E596-F826 HydrophobicContact CB-CD2 3.57Å; E596-F826 HydrophobicContact CB-CE2 3.83Å; E596-F826 PolarHBondContact OE2-N 3.45Å
597	Q	98	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	78.5	171.6	-168.6	65.5	28.6	0	0	110.9	L525 P576 V577 G579 E580 C599 I604 S605	L525-Q597 HydrophobicContact CD2-CB 4.38Å; P576-Q597 HydrophobicContact CB-CB 3.89Å; P576-Q597 HydrophobicContact CB-CG 3.89Å; V577-Q597 VanDerWaalsContact O-CB 3.23Å; V577-Q597 WeakPolarHBondContact O-CB 3.47Å; V577-Q597 WeakPolarHBondContact O-CG 3.48Å; G579-Q597 PolarHBondContact N-O 3.38Å; E580-Q597 PolarHBondContact O-N 3.17Å; Q597-C599 VanDerWaalsContact C-N 3.33Å; Q597-C599 PolarHBondContact NE2-O 2.92Å; Q597-C599 PolarHBondContact O-N 2.92Å; Q597-I604 PolarHBondContact NE2-O 2.86Å; Q597-I604 VanDerWaalsContact NE2-O 3.1Å; Q597-S605 PolarHBondContact OE1-OG 2.86Å
598	V	97	Very high	94.7	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-25.7	-173.6	-61.4	0	0	0	0	114.6	E596 I604 A606 P823 F826 W838	E596-V598 VanDerWaalsContact C-N 3.31Å; E596-V598 HydrophobicContact CB-CG1 4.24Å; E596-V598 HydrophobicContact CG-CG1 4.31Å; E596-V598 PolarHBondContact O-N 3.15Å; V598-I604 HydrophobicContact CG2-CB 3.86Å; V598-I604 HydrophobicContact CG2-CG2 3.52Å; V598-I604 WeakPolarHBondContact CG2-O 3.3Å; V598-I604 PolarHBondContact N-O 2.8Å; V598-A606 HydrophobicContact CG1-CB 3.7Å; V598-A606 HydrophobicContact CG2-CB 4.03Å; V598-P823 HydrophobicContact CB-CB 4.17Å; V598-P823 HydrophobicContact CB-CG 3.75Å; V598-P823 HydrophobicContact CG1-CB 3.89Å; V598-P823 HydrophobicContact CG1-CG 4.04Å; V598-P823 WeakPolarHBondContact O-CG 3.43Å; V598-F826 HydrophobicContact CG1-CB 3.65Å; V598-F826 HydrophobicContact CG1-CD2 4.41Å; V598-F826 HydrophobicContact CG1-CG 4.16Å; V598-W838 HydrophobicContact CB-CD2 3.85Å; V598-W838 HydrophobicContact CB-CE3 3.95Å; V598-W838 HydrophobicContact CB-CG 4.34Å; V598-W838 HydrophobicContact CB-CH2 4.33Å; V598-W838 HydrophobicContact CB-CZ2 4.24Å; V598-W838 HydrophobicContact CB-CZ3 4.19Å; V598-W838 HydrophobicContact CG1-CD2 4.17Å; V598-W838 HydrophobicContact CG1-CE3 4Å; V598-W838 HydrophobicContact CG1-CG 4.5Å; V598-W838 HydrophobicContact CG1-CZ3 4.48Å; V598-W838 HydrophobicContact CG2-CB 4.48Å; V598-W838 HydrophobicContact CG2-CD2 3.72Å; V598-W838 HydrophobicContact CG2-CE3 4.33Å; V598-W838 HydrophobicContact CG2-CG 3.77Å; V598-W838 HydrophobicContact CG2-CZ2 4.34Å
599	C	92.9	Very high	95	Very high	34 Å²	34	23 Å²	23	23%	0.23	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.1	171.8	-166	0	0	0	0	112.1	Q597 P602 P603 I604	Q597-C599 VanDerWaalsContact C-N 3.33Å; Q597-C599 PolarHBondContact NE2-O 2.92Å; Q597-C599 PolarHBondContact O-N 2.92Å; C599-P602 CarbonylContact C-O 3.6Å; C599-P602 PolarHBondContact SG-O 3.06Å; C599-P602 VanDerWaalsContact SG-O 3.38Å; C599-P603 WeakPolarHBondContact O-CA 3.49Å; C599-I604 HydrophobicContact CB-CB 3.93Å; C599-I604 HydrophobicContact CB-CD1 3.94Å; C599-I604 HydrophobicContact CB-CG1 3.97Å; C599-I604 PolarHBondContact N-O 2.82Å; C599-I604 VanDerWaalsContact N-O 3.16Å; C599-I604 PolarHBondContact O-N 3.13Å
600	H	84.8	Confident	95.2	Very high	20 Å²	20	22.8 Å²	22.8	9%	0.093	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-23.5	-179.3	-179	88.4	0	0	0	113.4	L578 P602 Q807 R811	L578-H600 HydrophobicContact CB-CB 4.2Å; L578-H600 HydrophobicContact CD1-CB 4.1Å; H600-P602 CarbonylContact C-O 3.36Å; H600-P602 VanDerWaalsContact C-O 3.3Å; H600-P602 CarbonylContact O-C 3.6Å; H600-Q807 PolarHBondContact CE1-NE2 3.02Å; H600-Q807 PolarHBondContact ND1-OE1 2.92Å; H600-R811 PolarHBondContact CD2-NH1 2.78Å; H600-R811 PolarHBondContact NE2-NH1 2.67Å
601	H	81.7	Confident	95.3	Very high	86 Å²	86	21.8 Å²	21.8	40%	0.398	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137	95	177.6	-73.2	-10.6	0	0	0	111.2	R511 R811	R511-H601 PolarHBondContact NE-CE1 2.97Å; R511-H601 PolarHBondContact NE-NE2 3.3Å; R511-H601 PolarHBondContact NH2-CD2 3.08Å; R511-H601 PolarHBondContact NH2-NE2 3.03Å; H601-R811 PolarHBondContact NE2-NH1 2.95Å
602	P	83.1	Confident	95.2	Very high	84 Å²	84	29.8 Å²	29.8	55%	0.545	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	cis	-65.7	158.7	-6.3	30.9	-36.6	0	0	0	112	C599 H600 I604	C599-P602 CarbonylContact C-O 3.6Å; C599-P602 PolarHBondContact SG-O 3.06Å; C599-P602 VanDerWaalsContact SG-O 3.38Å; H600-P602 CarbonylContact C-O 3.36Å; H600-P602 VanDerWaalsContact C-O 3.3Å; H600-P602 CarbonylContact O-C 3.6Å; P602-I604 HydrophobicContact CG-CG1 4.49Å; P602-I604 PolarHBondContact O-N 3.34Å
603	P	88.2	Confident	95.2	Very high	22 Å²	22	26.7 Å²	26.7	14%	0.143	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.3	173.3	27.7	-33.6	0	0	0	110.1	C599	C599-P603 WeakPolarHBondContact O-CA 3.49Å
604	I	95	Very high	95.2	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.051	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.7	173.9	-52.6	174.8	0	0	0	107.5	Q597 V598 C599 P602 D619 R621	Q597-I604 PolarHBondContact NE2-O 2.86Å; Q597-I604 VanDerWaalsContact NE2-O 3.1Å; V598-I604 HydrophobicContact CG2-CB 3.86Å; V598-I604 HydrophobicContact CG2-CG2 3.52Å; V598-I604 WeakPolarHBondContact CG2-O 3.3Å; V598-I604 PolarHBondContact N-O 2.8Å; C599-I604 HydrophobicContact CB-CB 3.93Å; C599-I604 HydrophobicContact CB-CD1 3.94Å; C599-I604 HydrophobicContact CB-CG1 3.97Å; C599-I604 PolarHBondContact N-O 2.82Å; C599-I604 VanDerWaalsContact N-O 3.16Å; C599-I604 PolarHBondContact O-N 3.13Å; P602-I604 HydrophobicContact CG-CG1 4.49Å; P602-I604 PolarHBondContact O-N 3.34Å; I604-D619 HydrophobicContact CG2-CB 4.24Å; I604-R621 HydrophobicContact CB-CG 4.44Å; I604-R621 HydrophobicContact CD1-CG 4.47Å; I604-R621 HydrophobicContact CG1-CG 3.96Å; I604-R621 HydrophobicContact CG2-CG 4.01Å
605	S	97.3	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120	176.4	-52.5	0	0	0	0	107.6	Q597 D619 Q620	Q597-S605 PolarHBondContact OE1-OG 2.86Å; S605-D619 CarbonylContact O-C 3.58Å; S605-Q620 PolarHBondContact N-O 2.82Å; S605-Q620 VanDerWaalsContact N-O 3.12Å; S605-Q620 PolarHBondContact O-N 3.11Å
606	A	98.3	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141	178.8	0	0	0	0	0	110.2	S595 E596 V598 Q618 D619 F826 W838	S595-A606 CarbonylContact C-O 3.57Å; S595-A606 WeakPolarHBondContact CA-O 3.45Å; S595-A606 WeakPolarHBondContact CB-O 3.48Å; E596-A606 PolarHBondContact N-O 3.12Å; E596-A606 PolarHBondContact O-N 3.09Å; V598-A606 HydrophobicContact CG1-CB 3.7Å; V598-A606 HydrophobicContact CG2-CB 4.03Å; A606-Q618 WeakPolarHBondContact CA-O 3.43Å; A606-D619 HydrophobicContact CB-CB 4.24Å; A606-F826 HydrophobicContact CB-CB 4.35Å; A606-F826 HydrophobicContact CB-CD1 3.52Å; A606-F826 HydrophobicContact CB-CD2 4.33Å; A606-F826 HydrophobicContact CB-CE1 3.82Å; A606-F826 HydrophobicContact CB-CG 3.81Å; A606-F826 HydrophobicContact CB-CZ 4.37Å; A606-W838 HydrophobicContact CB-CB 3.81Å
607	C	98.8	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156.8	173.4	72.3	0	0	0	0	112.9	L528 F593 V594 W617 Q618	L528-C607 HydrophobicContact CB-CB 4.31Å; L528-C607 HydrophobicContact CD1-CB 4.11Å; F593-C607 HydrophobicContact CE1-CB 4.38Å; F593-C607 HydrophobicContact CE2-CB 3.58Å; F593-C607 HydrophobicContact CZ-CB 3.47Å; F593-C607 VanDerWaalsContact CZ-CB 3.47Å; V594-C607 CarbonylContact O-C 3.5Å; V594-C607 VanDerWaalsContact O-CA 3.29Å; V594-C607 WeakPolarHBondContact O-CA 3.33Å; C607-W617 WeakPolarHBondContact O-CA 3.41Å; C607-W617 WeakPolarHBondContact O-CB 3.46Å; C607-Q618 PolarHBondContact N-O 2.98Å; C607-Q618 PolarHBondContact O-N 3.13Å; C607-Q618 VanDerWaalsContact SG-CG 3.51Å
608	H	98.9	Very high	95.2	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.069	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	134.2	-179.6	179.6	88.4	0	0	0	109.1	V594 E610 T615 F616 W617 F826 T840	V594-H608 HydrophobicContact CG1-CB 4.35Å; V594-H608 PolarHBondContact N-O 3.32Å; V594-H608 PolarHBondContact O-N 3.39Å; H608-E610 IonicContact CD2-OE1 3.99Å; H608-E610 IonicContact CE1-OE1 2.7Å; H608-E610 VanDerWaalsContact NE2-CG 3.26Å; H608-E610 WeakPolarHBondContact NE2-CG 3.47Å; H608-E610 IonicContact NE2-OE1 3.1Å; H608-E610 PolarHBondContact NE2-OE1 3.27Å; H608-T615 VanDerWaalsContact CE1-CG2 3.46Å; H608-T615 WeakPolarHBondContact CE1-CG2 3.47Å; H608-F616 CarbonylContact C-O 3.55Å; H608-F616 WeakPolarHBondContact CA-O 3.36Å; H608-W617 HydrophobicContact CB-CB 4.4Å; H608-F826 HydrophobicContact CB-CE1 3.9Å; H608-F826 HydrophobicContact CB-CZ 3.98Å; H608-T840 VanDerWaalsContact CE1-CG2 3.47Å; H608-T840 WeakPolarHBondContact CE1-CG2 3.31Å; H608-T840 WeakPolarHBondContact ND1-CG2 3.41Å
609	A	98.8	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.2	177.8	0	0	0	0	0	111.7	L532 R592 F593 T615 F616	L532-A609 HydrophobicContact CD1-CB 3.67Å; R592-A609 CarbonylContact O-C 3.2Å; R592-A609 WeakPolarHBondContact O-CA 3.41Å; F593-A609 HydrophobicContact CB-CB 3.98Å; F593-A609 HydrophobicContact CD2-CB 4Å; F593-A609 HydrophobicContact CG-CB 4.43Å; A609-T615 CarbonylContact O-C 3.57Å; A609-T615 WeakPolarHBondContact O-CA 3Å; A609-T615 VanDerWaalsContact O-CG2 3.3Å; A609-T615 WeakPolarHBondContact O-CG2 3.49Å; A609-F616 HydrophobicContact CB-CB 4.4Å; A609-F616 HydrophobicContact CB-CD1 4.27Å; A609-F616 PolarHBondContact N-O 3.4Å; A609-F616 PolarHBondContact O-N 3.16Å
610	E	98.1	Very high	95.1	Very high	50 Å²	50	29.1 Å²	29.1	23%	0.234	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	-173.2	-63.5	170.7	171	0	0	109.5	F591 R592 H608 T615	F591-E610 WeakPolarHBondContact CA-O 3.45Å; R592-E610 HydrophobicContact CG-CB 4.13Å; R592-E610 IonicContact CZ-OE2 2.73Å; R592-E610 PolarHBondContact N-O 2.78Å; R592-E610 IonicContact NE-OE2 2.71Å; R592-E610 PolarHBondContact NE-OE2 3.04Å; R592-E610 IonicContact NH2-OE2 3.22Å; R592-E610 PolarHBondContact NH2-OE2 2.99Å; R592-E610 PolarHBondContact O-N 2.99Å; H608-E610 IonicContact CD2-OE1 3.99Å; H608-E610 IonicContact CE1-OE1 2.7Å; H608-E610 VanDerWaalsContact NE2-CG 3.26Å; H608-E610 WeakPolarHBondContact NE2-CG 3.47Å; H608-E610 IonicContact NE2-OE1 3.1Å; H608-E610 PolarHBondContact NE2-OE1 3.27Å; E610-T615 HydrophobicContact CG-CG2 4.44Å
611	S	98.3	Very high	95.4	Very high	25 Å²	25	30.7 Å²	30.7	18%	0.175	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	170.1	171.8	-178.9	0	0	0	0	108.6	G590 N613 F614	G590-S611 WeakPolarHBondContact O-CA 3.12Å; G590-S611 VanDerWaalsContact O-CB 3.23Å; G590-S611 WeakPolarHBondContact O-CB 3.42Å; G590-S611 PolarHBondContact O-OG 3.3Å; S611-N613 VanDerWaalsContact C-N 3.32Å; S611-N613 PolarHBondContact OG-N 2.79Å; S611-F614 WeakPolarHBondContact CB-O 3.37Å; S611-F614 PolarHBondContact N-O 3.47Å
612	E	97.1	Very high	95.5	Very high	177 Å²	177	29.6 Å²	29.6	83%	0.827	15%	0.147	S	C	*	.	S	Bend	trans	-64.2	-39.1	168.4	-172.9	-178	164.8	0	0	111.4
613	N	97.9	Very high	95.5	Very high	29 Å²	29	31.9 Å²	31.9	16%	0.155	15%	0.148	C	C	.	.	S	Bend	trans	-90.5	-21.4	-173.3	-71.3	-47.7	0	0	0	114.3	D539 S542 S611 P644	D539-N613 VanDerWaalsContact OD1-CB 3.28Å; D539-N613 WeakPolarHBondContact OD1-CB 3.13Å; D539-N613 PolarHBondContact OD1-ND2 3.37Å; S542-N613 WeakPolarHBondContact CB-O 3.44Å; S542-N613 PolarHBondContact OG-O 2.68Å; S611-N613 VanDerWaalsContact C-N 3.32Å; S611-N613 PolarHBondContact OG-N 2.79Å; N613-P644 WeakPolarHBondContact O-CD 3.37Å
614	F	98.6	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.			trans	-153.3	159.5	-174.8	69.4	-91.9	0	0	0	113.7	L532 L538 F591 S611 F616 V641 T642 L643	L532-F614 HydrophobicContact CD2-CE2 4.11Å; L532-F614 HydrophobicContact CD2-CZ 4.43Å; L538-F614 HydrophobicContact CB-CB 4.18Å; L538-F614 HydrophobicContact CB-CD1 3.7Å; L538-F614 HydrophobicContact CB-CE1 4.19Å; L538-F614 HydrophobicContact CB-CG 3.88Å; L538-F614 HydrophobicContact CD1-CB 4.35Å; L538-F614 HydrophobicContact CD1-CD1 4.29Å; L538-F614 HydrophobicContact CD1-CD2 3.62Å; L538-F614 HydrophobicContact CD1-CE2 3.92Å; L538-F614 HydrophobicContact CD1-CG 3.84Å; L538-F614 HydrophobicContact CD1-CZ 4.37Å; F591-F614 HydrophobicContact CB-CZ 4.05Å; F591-F614 HydrophobicContact CG-CZ 4.47Å; S611-F614 WeakPolarHBondContact CB-O 3.37Å; S611-F614 PolarHBondContact N-O 3.47Å; F614-F616 HydrophobicContact CD2-CB 4.2Å; F614-F616 HydrophobicContact CE2-CB 4.25Å; F614-V641 HydrophobicContact CB-CG1 4.47Å; F614-T642 CarbonylContact C-O 3.56Å; F614-T642 VanDerWaalsContact CA-O 3.24Å; F614-T642 WeakPolarHBondContact CA-O 3.4Å; F614-L643 HydrophobicContact CB-CD2 3.8Å
615	T	98.7	Very high	94.5	Very high	31 Å²	31	37.5 Å²	37.5	19%	0.19	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.4	160.8	-50.9	0	0	0	0	108.5	H608 A609 E610 W617 V641 T642	H608-T615 VanDerWaalsContact CE1-CG2 3.46Å; H608-T615 WeakPolarHBondContact CE1-CG2 3.47Å; A609-T615 CarbonylContact O-C 3.57Å; A609-T615 WeakPolarHBondContact O-CA 3Å; A609-T615 VanDerWaalsContact O-CG2 3.3Å; A609-T615 WeakPolarHBondContact O-CG2 3.49Å; E610-T615 HydrophobicContact CG-CG2 4.44Å; T615-W617 HydrophobicContact CG2-CE3 4.15Å; T615-W617 HydrophobicContact CG2-CZ3 4.41Å; T615-V641 CarbonylContact O-C 3.56Å; T615-V641 VanDerWaalsContact O-CA 3.24Å; T615-V641 WeakPolarHBondContact O-CA 3.44Å; T615-T642 WeakPolarHBondContact CB-OG1 3.47Å; T615-T642 PolarHBondContact N-O 2.88Å; T615-T642 PolarHBondContact O-N 3.27Å
616	F	98.8	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.4	-177	164.5	-90.3	0	0	0	110	E531 L532 F557 H608 A609 F614 Q618 V639 N640 V641	E531-F616 HydrophobicContact CB-CZ 4.2Å; L532-F616 HydrophobicContact CD1-CD1 4.15Å; L532-F616 HydrophobicContact CD1-CE1 4.38Å; L532-F616 HydrophobicContact CD2-CB 4.35Å; L532-F616 HydrophobicContact CD2-CD1 4.05Å; L532-F616 HydrophobicContact CD2-CD2 4.35Å; L532-F616 HydrophobicContact CD2-CE1 4.35Å; L532-F616 HydrophobicContact CD2-CG 4.03Å; L532-F616 HydrophobicContact CG-CD1 4.26Å; L532-F616 HydrophobicContact CG-CE1 4.24Å; F557-F616 AromaticContact CE1-CD2 3.93Å; F557-F616 HydrophobicContact CE1-CD2 3.93Å; F557-F616 AromaticContact CE1-CE2 3.8Å; F557-F616 HydrophobicContact CE1-CE2 3.8Å; F557-F616 AromaticContact CZ-CD2 3.97Å; F557-F616 HydrophobicContact CZ-CD2 3.97Å; F557-F616 AromaticContact CZ-CE2 3.81Å; F557-F616 HydrophobicContact CZ-CE2 3.81Å; H608-F616 CarbonylContact C-O 3.55Å; H608-F616 WeakPolarHBondContact CA-O 3.36Å; A609-F616 HydrophobicContact CB-CB 4.4Å; A609-F616 HydrophobicContact CB-CD1 4.27Å; A609-F616 PolarHBondContact N-O 3.4Å; A609-F616 PolarHBondContact O-N 3.16Å; F614-F616 HydrophobicContact CD2-CB 4.2Å; F614-F616 HydrophobicContact CE2-CB 4.25Å; F616-Q618 VanDerWaalsContact CZ-NE2 3.28Å; F616-V639 HydrophobicContact CD2-CG1 4.1Å; F616-V639 HydrophobicContact CE2-CG1 3.52Å; F616-V639 HydrophobicContact CZ-CG1 4.26Å; F616-N640 WeakPolarHBondContact CA-O 3.45Å; F616-V641 HydrophobicContact CB-CG2 4.2Å; F616-V641 HydrophobicContact CD2-CG2 3.73Å; F616-V641 HydrophobicContact CG-CG2 4.45Å
617	W	98.6	Very high	92.4	Very high	43 Å²	43	49.4 Å²	49.4	16%	0.163	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.2	174.9	72.2	95.7	0	0	0	113	C607 H608 T615 N640 T642 H649	C607-W617 WeakPolarHBondContact O-CA 3.41Å; C607-W617 WeakPolarHBondContact O-CB 3.46Å; H608-W617 HydrophobicContact CB-CB 4.4Å; T615-W617 HydrophobicContact CG2-CE3 4.15Å; T615-W617 HydrophobicContact CG2-CZ3 4.41Å; W617-N640 HydrophobicContact CD2-CB 3.56Å; W617-N640 HydrophobicContact CE3-CB 4Å; W617-N640 HydrophobicContact CG-CB 4.07Å; W617-N640 HydrophobicContact CH2-CB 3.94Å; W617-N640 HydrophobicContact CZ2-CB 3.48Å; W617-N640 VanDerWaalsContact CZ2-CB 3.48Å; W617-N640 HydrophobicContact CZ3-CB 4.17Å; W617-N640 PolarHBondContact N-O 3.27Å; W617-N640 PolarHBondContact O-N 2.8Å; W617-T642 HydrophobicContact CH2-CG2 3.75Å; W617-T642 HydrophobicContact CZ3-CG2 3.87Å; W617-H649 AromaticContact CH2-CD2 3.98Å; W617-H649 AromaticContact CH2-CE1 3.98Å; W617-H649 AromaticContact CH2-NE2 3.56Å; W617-H649 AromaticContact CZ2-CE1 3.9Å; W617-H649 AromaticContact CZ2-NE2 3.57Å
618	Q	97.8	Very high	91.1	Very high	5 Å²	5	51 Å²	51	2%	0.023	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	160.1	172.2	61.7	-175.9	-60.9	0	0	110.7	L528 E531 A606 C607 F616 M638	L528-Q618 VanDerWaalsContact CD2-CD 3.43Å; L528-Q618 HydrophobicContact CD2-CG 3.87Å; E531-Q618 PolarHBondContact OE2-NE2 3.25Å; A606-Q618 WeakPolarHBondContact CA-O 3.43Å; C607-Q618 PolarHBondContact N-O 2.98Å; C607-Q618 PolarHBondContact O-N 3.13Å; C607-Q618 VanDerWaalsContact SG-CG 3.51Å; F616-Q618 VanDerWaalsContact CZ-NE2 3.28Å; Q618-M638 WeakPolarHBondContact CB-O 3.26Å
619	D	94.6	Very high	89.9	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	100.7	164.4	79.3	-77.6	0	0	0	110.4	I604 S605 A606 R621 W838	I604-D619 HydrophobicContact CG2-CB 4.24Å; S605-D619 CarbonylContact O-C 3.58Å; A606-D619 HydrophobicContact CB-CB 4.24Å; D619-R621 IonicContact OD2-CZ 3.45Å; D619-R621 IonicContact OD2-NE 3.25Å; D619-R621 PolarHBondContact OD2-NE 2.68Å; D619-R621 IonicContact OD2-NH2 2.76Å; D619-R621 PolarHBondContact OD2-NH2 3.01Å; D619-W838 HydrophobicContact CB-CB 3.84Å; D619-W838 HydrophobicContact CB-CG 4.36Å
620	Q	93.4	Very high	89.1	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.9	-168	-170.1	178.6	59.9	0	0	110.7	L528 E531 S605 W622	L528-Q620 HydrophobicContact CD2-CB 3.87Å; L528-Q620 HydrophobicContact CD2-CG 4.36Å; L528-Q620 VanDerWaalsContact CD2-OE1 3.29Å; E531-Q620 PolarHBondContact OE1-NE2 2.92Å; S605-Q620 PolarHBondContact N-O 2.82Å; S605-Q620 VanDerWaalsContact N-O 3.12Å; S605-Q620 PolarHBondContact O-N 3.11Å; Q620-W622 HydrophobicContact CG-CD2 4.38Å; Q620-W622 HydrophobicContact CG-CH2 4.4Å; Q620-W622 HydrophobicContact CG-CZ2 3.81Å
621	R	91.1	Very high	88.5	Confident	52 Å²	52	57.6 Å²	57.6	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.2	-175.4	-39.2	-176.7	175.1	-163.9	-1.6	110	I604 D619 P635 T636 D836	I604-R621 HydrophobicContact CB-CG 4.44Å; I604-R621 HydrophobicContact CD1-CG 4.47Å; I604-R621 HydrophobicContact CG1-CG 3.96Å; I604-R621 HydrophobicContact CG2-CG 4.01Å; D619-R621 IonicContact OD2-CZ 3.45Å; D619-R621 IonicContact OD2-NE 3.25Å; D619-R621 PolarHBondContact OD2-NE 2.68Å; D619-R621 IonicContact OD2-NH2 2.76Å; D619-R621 PolarHBondContact OD2-NH2 3.01Å; R621-P635 CarbonylContact O-C 3.32Å; R621-T636 WeakPolarHBondContact CA-O 3.36Å; R621-T636 VanDerWaalsContact CB-O 3.27Å; R621-T636 WeakPolarHBondContact CB-O 3.21Å; R621-T636 WeakPolarHBondContact CG-O 3.29Å; R621-T636 PolarHBondContact N-O 3.39Å; R621-T636 PolarHBondContact O-N 3.45Å; R621-T636 PolarHBondContact O-OG1 3.24Å; R621-D836 PolarHBondContact NH2-O 2.93Å
622	W	83.8	Confident	88	Confident	63 Å²	63	57.7 Å²	57.7	24%	0.239	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.4	-172.2	-54.2	100.6	0	0	0	112.3	Q620 I633 P635	Q620-W622 HydrophobicContact CG-CD2 4.38Å; Q620-W622 HydrophobicContact CG-CH2 4.4Å; Q620-W622 HydrophobicContact CG-CZ2 3.81Å; W622-I633 HydrophobicContact CD2-CG2 4.29Å; W622-I633 HydrophobicContact CE3-CG2 3.3Å; W622-I633 HydrophobicContact CZ3-CG2 3.58Å; W622-P635 HydrophobicContact CE3-CB 4.16Å; W622-P635 HydrophobicContact CZ3-CB 4.11Å
623	K	83.5	Confident	87.6	Confident	132 Å²	132	50.9 Å²	50.9	57%	0.574	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.6	170	-67.4	173.4	-174.4	168	0	109.4	L634 T636	K623-L634 HydrophobicContact CB-CB 4.39Å; K623-L634 PolarHBondContact N-O 2.94Å; K623-L634 WeakPolarHBondContact O-CB 3.47Å; K623-L634 WeakPolarHBondContact O-CD1 3.24Å; K623-L634 PolarHBondContact O-N 3.21Å; K623-T636 HydrophobicContact CD-CG2 4.45Å
624	N	82.6	Confident	87.2	Confident	62 Å²	62	51.3 Å²	51.3	33%	0.332	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.6	-175	-61.8	-11.5	0	0	0	110.6	L631 E632	N624-L631 HydrophobicContact CB-CD1 4.3Å; N624-E632 CarbonylContact C-O 3.51Å; N624-E632 WeakPolarHBondContact CA-O 3.33Å
625	K	79.1	Confident	86.9	Confident	89 Å²	89	52.3 Å²	52.3	39%	0.387	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.3	168.7	-57.8	-170.8	-133.8	122.1	0	110.3	W627 L631 E632 L634	K625-W627 HydrophobicContact CD-CZ2 4.22Å; K625-L631 CarbonylContact O-C 3.56Å; K625-L631 WeakPolarHBondContact O-CA 3.44Å; K625-E632 HydrophobicContact CB-CB 4.3Å; K625-E632 PolarHBondContact N-O 3.18Å; K625-E632 IonicContact NZ-OE2 3.62Å; K625-E632 PolarHBondContact NZ-OE2 2.89Å; K625-E632 PolarHBondContact O-N 3.48Å; K625-L634 HydrophobicContact CB-CD1 4.43Å; K625-L634 HydrophobicContact CD-CD1 4.21Å; K625-L634 HydrophobicContact CG-CD1 3.86Å
626	F	77.2	Confident	86.3	Confident	86 Å²	86	53.1 Å²	53.1	38%	0.377	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.9	178.7	176.4	-112.2	0	0	0	110.3	L501 L509 G628 L631 V662 L663	L501-F626 HydrophobicContact CD1-CE2 4.41Å; L501-F626 HydrophobicContact CD1-CZ 4.5Å; L509-F626 HydrophobicContact CD1-CB 3.62Å; L509-F626 HydrophobicContact CD1-CD2 4.36Å; L509-F626 HydrophobicContact CD1-CG 3.97Å; F626-G628 WeakPolarHBondContact CE2-O 3.33Å; F626-G628 WeakPolarHBondContact CZ-O 3.35Å; F626-L631 HydrophobicContact CB-CD1 4.14Å; F626-V662 HydrophobicContact CD2-CG2 4.3Å; F626-V662 HydrophobicContact CE2-CG2 3.76Å; F626-L663 HydrophobicContact CZ-CD2 4.39Å
627	W	74.2	Confident	85.8	Confident	163 Å²	163	54.7 Å²	54.7	62%	0.617	27%	0.266	S	S	*	.			trans	-116.2	36.7	-175.1	-62.2	99.7	0	0	0	111.2	K625 K629 S630 E632	K625-W627 HydrophobicContact CD-CZ2 4.22Å; W627-K629 VanDerWaalsContact C-N 3.29Å; W627-K629 PolarHBondContact O-N 3.38Å; W627-S630 PolarHBondContact N-O 3Å; W627-E632 PolarHBondContact NE1-OE2 3.14Å
628	G	72.6	Confident	85.6	Confident	35 Å²	35	54.7 Å²	54.7	36%	0.361	27%	0.268	S	S	.	.	S	Bend	trans	74.7	-71.1	-177.7	0	0	0	0	0	113	F626 L663	F626-G628 WeakPolarHBondContact CE2-O 3.33Å; F626-G628 WeakPolarHBondContact CZ-O 3.35Å; G628-L663 VanDerWaalsContact O-CD1 3.28Å; G628-L663 WeakPolarHBondContact O-CD1 3.34Å
629	K	74.5	Confident	85.6	Confident	153 Å²	153	54.6 Å²	54.6	67%	0.665	27%	0.267	S	S	*	.	S	Bend	trans	-89.9	-21.5	180	-68.4	-176	179.8	177.5	0	114	W627 N661 V662	W627-K629 VanDerWaalsContact C-N 3.29Å; W627-K629 PolarHBondContact O-N 3.38Å; K629-N661 CarbonylContact O-C 3.56Å; K629-N661 VanDerWaalsContact O-CA 3.27Å; K629-N661 WeakPolarHBondContact O-CA 3.49Å; K629-N661 PolarHBondContact O-N 2.91Å; K629-V662 PolarHBondContact O-N 3.26Å
630	S	81.4	Confident	85.8	Confident	19 Å²	19	54.9 Å²	54.9	13%	0.133	27%	0.269	C	S	.	.			trans	-130.9	156.2	-175.4	-55.4	0	0	0	0	113	W627 I659 H660	W627-S630 PolarHBondContact N-O 3Å; S630-I659 CarbonylContact C-O 3.53Å; S630-I659 WeakPolarHBondContact CA-O 3.28Å; S630-I659 WeakPolarHBondContact CB-O 3.38Å; S630-H660 PolarHBondContact OG-ND1 3.38Å; S630-H660 VanDerWaalsContact OG-ND1 3.09Å
631	L	84	Confident	86	Confident	31 Å²	31	54.5 Å²	54.5	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.3	177.1	-177.5	72.1	0	0	0	109.5	L509 N624 K625 F626 I633 C658 I659 V662	L509-L631 HydrophobicContact CD1-CD1 4.21Å; N624-L631 HydrophobicContact CB-CD1 4.3Å; K625-L631 CarbonylContact O-C 3.56Å; K625-L631 WeakPolarHBondContact O-CA 3.44Å; F626-L631 HydrophobicContact CB-CD1 4.14Å; L631-I633 HydrophobicContact CD2-CG1 4.46Å; L631-I633 HydrophobicContact CG-CG1 4.49Å; L631-C658 WeakPolarHBondContact O-CA 3.37Å; L631-I659 HydrophobicContact CB-CB 4.39Å; L631-I659 HydrophobicContact CB-CG1 4.4Å; L631-I659 HydrophobicContact CD2-CD1 4.18Å; L631-I659 PolarHBondContact N-O 2.96Å; L631-I659 PolarHBondContact O-N 2.82Å; L631-V662 HydrophobicContact CB-CG1 3.87Å
632	E	88.8	Confident	86.4	Confident	26 Å²	26	53.6 Å²	53.6	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.3	166.6	-69.6	177.8	159	0	0	109.7	N624 K625 W627 L634 V656 Y672	N624-E632 CarbonylContact C-O 3.51Å; N624-E632 WeakPolarHBondContact CA-O 3.33Å; K625-E632 HydrophobicContact CB-CB 4.3Å; K625-E632 PolarHBondContact N-O 3.18Å; K625-E632 IonicContact NZ-OE2 3.62Å; K625-E632 PolarHBondContact NZ-OE2 2.89Å; K625-E632 PolarHBondContact O-N 3.48Å; W627-E632 PolarHBondContact NE1-OE2 3.14Å; E632-L634 HydrophobicContact CB-CD1 3.76Å; E632-V656 HydrophobicContact CB-CG1 4.18Å; E632-V656 HydrophobicContact CG-CG1 4.2Å; E632-Y672 PolarHBondContact OE1-OH 3.34Å
633	I	88.6	Confident	87.1	Confident	34 Å²	34	50.6 Å²	50.6	17%	0.174	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.7	166.4	-61.3	174.3	0	0	0	106.5	W622 L631 P635 T657 I659	W622-I633 HydrophobicContact CD2-CG2 4.29Å; W622-I633 HydrophobicContact CE3-CG2 3.3Å; W622-I633 HydrophobicContact CZ3-CG2 3.58Å; L631-I633 HydrophobicContact CD2-CG1 4.46Å; L631-I633 HydrophobicContact CG-CG1 4.49Å; I633-P635 WeakPolarHBondContact O-CD 3.46Å; I633-T657 PolarHBondContact N-O 2.68Å; I633-T657 PolarHBondContact O-N 2.96Å; I633-I659 HydrophobicContact CD1-CD1 4.03Å; I633-I659 HydrophobicContact CD1-CG1 4.25Å
634	L	90.1	Very high	87.7	Confident	39 Å²	39	47.9 Å²	47.9	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	103.9	178.8	-61.2	94.4	0	0	0	108.7	K623 K625 E632 V656	K623-L634 HydrophobicContact CB-CB 4.39Å; K623-L634 PolarHBondContact N-O 2.94Å; K623-L634 WeakPolarHBondContact O-CB 3.47Å; K623-L634 WeakPolarHBondContact O-CD1 3.24Å; K623-L634 PolarHBondContact O-N 3.21Å; K625-L634 HydrophobicContact CB-CD1 4.43Å; K625-L634 HydrophobicContact CD-CD1 4.21Å; K625-L634 HydrophobicContact CG-CD1 3.86Å; E632-L634 HydrophobicContact CB-CD1 3.76Å; L634-V656 HydrophobicContact CD2-CG2 4.2Å; L634-V656 HydrophobicContact CG-CG1 4.39Å; L634-V656 HydrophobicContact CG-CG2 4.18Å
635	P	90.7	Very high	88.4	Confident	21 Å²	21	51.3 Å²	51.3	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	149.1	171.7	29.7	-33.5	0	0	0	110.6	R621 W622 I633 K654 V655	R621-P635 CarbonylContact O-C 3.32Å; W622-P635 HydrophobicContact CE3-CB 4.16Å; W622-P635 HydrophobicContact CZ3-CB 4.11Å; I633-P635 WeakPolarHBondContact O-CD 3.46Å; P635-K654 HydrophobicContact CB-CB 3.86Å; P635-K654 HydrophobicContact CB-CD 4.47Å; P635-K654 HydrophobicContact CG-CB 3.42Å; P635-K654 VanDerWaalsContact CG-CB 3.42Å; P635-V655 VanDerWaalsContact CD-O 3.27Å; P635-V655 WeakPolarHBondContact CD-O 3.49Å; P635-V655 WeakPolarHBondContact CG-O 3.11Å
636	T	86.8	Confident	89.1	Confident	48 Å²	48	50.7 Å²	50.7	29%	0.294	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.3	173.4	46	0	0	0	0	109	R621 K623	R621-T636 WeakPolarHBondContact CA-O 3.36Å; R621-T636 VanDerWaalsContact CB-O 3.27Å; R621-T636 WeakPolarHBondContact CB-O 3.21Å; R621-T636 WeakPolarHBondContact CG-O 3.29Å; R621-T636 PolarHBondContact N-O 3.39Å; R621-T636 PolarHBondContact O-N 3.45Å; R621-T636 PolarHBondContact O-OG1 3.24Å; K623-T636 HydrophobicContact CD-CG2 4.45Å
637	G	88.3	Confident	89.9	Confident	33 Å²	33	48.7 Å²	48.7	34%	0.34	26%	0.26	S	S	.	.	S	Bend	trans	102.3	160.7	-157.8	0	0	0	0	0	110.1
638	M	94.7	Very high	91.1	Very high	43 Å²	43	41 Å²	41	21%	0.212	23%	0.231	C	C	.	.			trans	-116.9	146.7	-176.7	-54.5	-62.6	-73.4	0	0	110.3	Q618 E651 W652 N653	Q618-M638 WeakPolarHBondContact CB-O 3.26Å; M638-E651 VanDerWaalsContact CB-CD 3.5Å; M638-E651 HydrophobicContact CB-CG 3.62Å; M638-E651 WeakPolarHBondContact CB-OE1 3.04Å; M638-E651 HydrophobicContact CE-CG 3.78Å; M638-E651 WeakPolarHBondContact CE-OE2 3.11Å; M638-E651 HydrophobicContact CG-CG 4.13Å; M638-W652 WeakPolarHBondContact CA-O 3.44Å; M638-W652 VanDerWaalsContact CE-C 3.46Å; M638-N653 HydrophobicContact CE-CB 3.97Å; M638-N653 HydrophobicContact SD-CB 3.98Å
639	V	97.9	Very high	92.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137	169.3	-169	0	0	0	0	108.6	F616 E651 W652 K654	F616-V639 HydrophobicContact CD2-CG1 4.1Å; F616-V639 HydrophobicContact CE2-CG1 3.52Å; F616-V639 HydrophobicContact CZ-CG1 4.26Å; V639-E651 CarbonylContact O-C 3.45Å; V639-E651 WeakPolarHBondContact O-CA 3.48Å; V639-W652 HydrophobicContact CB-CD2 3.87Å; V639-W652 HydrophobicContact CB-CE3 4.34Å; V639-W652 HydrophobicContact CB-CG 4.33Å; V639-W652 HydrophobicContact CB-CH2 4.35Å; V639-W652 HydrophobicContact CB-CZ2 3.86Å; V639-W652 HydrophobicContact CG1-CD2 4.3Å; V639-W652 HydrophobicContact CG1-CH2 3.72Å; V639-W652 HydrophobicContact CG1-CZ2 3.42Å; V639-W652 VanDerWaalsContact CG1-CZ2 3.42Å; V639-W652 HydrophobicContact CG1-CZ3 4.25Å; V639-W652 PolarHBondContact N-O 2.93Å; V639-W652 PolarHBondContact O-N 3.09Å; V639-K654 HydrophobicContact CG2-CD 4.25Å; V639-K654 VanDerWaalsContact CG2-CE 3.43Å; V639-K654 HydrophobicContact CG2-CG 4.21Å
640	N	98.1	Very high	93.4	Very high	14 Å²	14	34 Å²	34	8%	0.075	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.5	-178	-78.5	-109.4	0	0	0	110.1	F616 W617 H649 Y650 E651	F616-N640 WeakPolarHBondContact CA-O 3.45Å; W617-N640 HydrophobicContact CD2-CB 3.56Å; W617-N640 HydrophobicContact CE3-CB 4Å; W617-N640 HydrophobicContact CG-CB 4.07Å; W617-N640 HydrophobicContact CH2-CB 3.94Å; W617-N640 HydrophobicContact CZ2-CB 3.48Å; W617-N640 VanDerWaalsContact CZ2-CB 3.48Å; W617-N640 HydrophobicContact CZ3-CB 4.17Å; W617-N640 PolarHBondContact N-O 3.27Å; W617-N640 PolarHBondContact O-N 2.8Å; N640-H649 PolarHBondContact OD1-NE2 3.43Å; N640-Y650 CarbonylContact C-O 3.3Å; N640-Y650 WeakPolarHBondContact CA-O 3.49Å; N640-E651 PolarHBondContact ND2-OE1 2.58Å
641	V	98.6	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.6	169.2	169.2	0	0	0	0	110	L538 F557 F614 T615 F616 L643 H649 Y650 W652	L538-V641 HydrophobicContact CD1-CG1 4.17Å; L538-V641 HydrophobicContact CD1-CG2 4Å; L538-V641 HydrophobicContact CD2-CG1 4.16Å; L538-V641 HydrophobicContact CD2-CG2 4.45Å; F557-V641 HydrophobicContact CE1-CG2 4.36Å; F614-V641 HydrophobicContact CB-CG1 4.47Å; T615-V641 CarbonylContact O-C 3.56Å; T615-V641 VanDerWaalsContact O-CA 3.24Å; T615-V641 WeakPolarHBondContact O-CA 3.44Å; F616-V641 HydrophobicContact CB-CG2 4.2Å; F616-V641 HydrophobicContact CD2-CG2 3.73Å; F616-V641 HydrophobicContact CG-CG2 4.45Å; V641-L643 HydrophobicContact CG1-CD2 3.86Å; V641-L643 HydrophobicContact CG1-CG 4.4Å; V641-H649 CarbonylContact O-C 3.54Å; V641-Y650 PolarHBondContact N-O 3.1Å; V641-Y650 PolarHBondContact O-N 3.13Å; V641-W652 HydrophobicContact CB-CH2 4.32Å; V641-W652 HydrophobicContact CB-CZ3 4.05Å; V641-W652 HydrophobicContact CG2-CH2 3.59Å; V641-W652 HydrophobicContact CG2-CZ3 3.81Å
642	T	98.4	Very high	94.8	Very high	32 Å²	32	33 Å²	33	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.8	164.1	51.3	0	0	0	0	111.3	F614 T615 W617 D648 H649	F614-T642 CarbonylContact C-O 3.56Å; F614-T642 VanDerWaalsContact CA-O 3.24Å; F614-T642 WeakPolarHBondContact CA-O 3.4Å; T615-T642 WeakPolarHBondContact CB-OG1 3.47Å; T615-T642 PolarHBondContact N-O 2.88Å; T615-T642 PolarHBondContact O-N 3.27Å; W617-T642 HydrophobicContact CH2-CG2 3.75Å; W617-T642 HydrophobicContact CZ3-CG2 3.87Å; T642-D648 CarbonylContact C-O 3.51Å; T642-D648 WeakPolarHBondContact CA-O 3.44Å; T642-D648 WeakPolarHBondContact CB-O 3.32Å; T642-H649 HydrophobicContact CG2-CB 3.81Å
643	L	98.3	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	95.8	171.7	-55	-177.3	0	0	0	108.4	A541 F614 V641 R645 Y646 G647 D648 Y650	A541-L643 HydrophobicContact CB-CD1 3.71Å; F614-L643 HydrophobicContact CB-CD2 3.8Å; V641-L643 HydrophobicContact CG1-CD2 3.86Å; V641-L643 HydrophobicContact CG1-CG 4.4Å; L643-R645 PolarHBondContact O-N 2.89Å; L643-R645 VanDerWaalsContact O-N 3.1Å; L643-Y646 PolarHBondContact O-N 2.8Å; L643-G647 PolarHBondContact O-N 3.12Å; L643-D648 HydrophobicContact CB-CB 4.32Å; L643-D648 PolarHBondContact N-O 2.97Å; L643-D648 PolarHBondContact O-N 3.33Å; L643-Y650 HydrophobicContact CD1-CE2 3.79Å; L643-Y650 HydrophobicContact CG-CD2 4.49Å; L643-Y650 HydrophobicContact CG-CE2 4.13Å
644	P	96.9	Very high	95.6	Very high	76 Å²	76	33.8 Å²	33.8	49%	0.494	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-57.8	-31.5	-167.7	-28.8	36.6	0	0	0	114.9	N613 Y646 G647	N613-P644 WeakPolarHBondContact O-CD 3.37Å; P644-Y646 PolarHBondContact O-N 3.21Å; P644-G647 PolarHBondContact O-N 2.99Å
645	R	96.7	Very high	95.9	Very high	133 Å²	133	32.1 Å²	32.1	50%	0.502	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-57.9	-31.8	-177.5	-171.5	178.3	-64.1	175.4	3	114	S542 N543 L643	S542-R645 WeakPolarHBondContact O-CD 3.29Å; S542-R645 PolarHBondContact O-NH1 3.45Å; N543-R645 PolarHBondContact OD1-NH1 2.98Å; N543-R645 PolarHBondContact OD1-NH2 3.18Å; N543-R645 VanDerWaalsContact OD1-NH2 3.16Å; L643-R645 PolarHBondContact O-N 2.89Å; L643-R645 VanDerWaalsContact O-N 3.1Å
646	Y	93.9	Very high	96	Very high	77 Å²	77	32.5 Å²	32.5	30%	0.302	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-113.3	-1	-179.7	-57.7	-65.3	0	0	0	113	S542 T544 P545 R550 L643 P644 D648	S542-Y646 WeakPolarHBondContact O-CE2 3.43Å; T544-Y646 WeakPolarHBondContact O-CE2 3.35Å; T544-Y646 PolarHBondContact O-OH 3.38Å; P545-Y646 WeakPolarHBondContact CA-OH 3.45Å; R550-Y646 VanDerWaalsContact CZ-CD2 3.48Å; L643-Y646 PolarHBondContact O-N 2.8Å; P644-Y646 PolarHBondContact O-N 3.21Å; Y646-D648 WeakPolarHBondContact CB-OD2 3.49Å; Y646-D648 PolarHBondContact O-N 3.17Å
647	G	95.5	Very high	96.3	Very high	44 Å²	44	31.2 Å²	31.2	45%	0.454	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	16.4	-171.8	0	0	0	0	0	114.1	L643 P644 T681	L643-G647 PolarHBondContact O-N 3.12Å; P644-G647 PolarHBondContact O-N 2.99Å; G647-T681 WeakPolarHBondContact O-CB 3.44Å; G647-T681 PolarHBondContact O-OG1 3.35Å
648	D	97.4	Very high	96.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.4	-179.1	-71.2	-44.3	0	0	0	111.4	R550 T642 L643 Y646 Y650 N679 T681 N682	R550-D648 IonicContact CZ-OD2 3.15Å; R550-D648 IonicContact NE-OD2 2.97Å; R550-D648 PolarHBondContact NE-OD2 2.81Å; R550-D648 IonicContact NH2-OD1 3.63Å; R550-D648 IonicContact NH2-OD2 2.77Å; R550-D648 PolarHBondContact NH2-OD2 2.88Å; T642-D648 CarbonylContact C-O 3.51Å; T642-D648 WeakPolarHBondContact CA-O 3.44Å; T642-D648 WeakPolarHBondContact CB-O 3.32Å; L643-D648 HydrophobicContact CB-CB 4.32Å; L643-D648 PolarHBondContact N-O 2.97Å; L643-D648 PolarHBondContact O-N 3.33Å; Y646-D648 WeakPolarHBondContact CB-OD2 3.49Å; Y646-D648 PolarHBondContact O-N 3.17Å; D648-Y650 HydrophobicContact CB-CD2 4.16Å; D648-Y650 HydrophobicContact CB-CE2 3.51Å; D648-Y650 PolarHBondContact OD2-OH 3.19Å; D648-N679 PolarHBondContact OD1-ND2 2.89Å; D648-T681 WeakPolarHBondContact CA-OG1 3.37Å; D648-N682 PolarHBondContact OD1-ND2 3.31Å
649	H	97.7	Very high	96.1	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.185	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	101.2	170	-179.2	-175.2	0	0	0	109.6	W617 N640 V641 T642 N679 L680 T681	W617-H649 AromaticContact CH2-CD2 3.98Å; W617-H649 AromaticContact CH2-CE1 3.98Å; W617-H649 AromaticContact CH2-NE2 3.56Å; W617-H649 AromaticContact CZ2-CE1 3.9Å; W617-H649 AromaticContact CZ2-NE2 3.57Å; N640-H649 PolarHBondContact OD1-NE2 3.43Å; V641-H649 CarbonylContact O-C 3.54Å; T642-H649 HydrophobicContact CG2-CB 3.81Å; H649-N679 PolarHBondContact N-OD1 3.21Å; H649-N679 CarbonylContact O-C 3.59Å; H649-N679 VanDerWaalsContact O-CA 3.31Å; H649-N679 WeakPolarHBondContact O-CA 3.39Å; H649-N679 PolarHBondContact O-OD1 3.46Å; H649-L680 HydrophobicContact CB-CB 4.46Å; H649-L680 PolarHBondContact O-N 2.98Å; H649-T681 HydrophobicContact CB-CG2 3.92Å; H649-T681 PolarHBondContact N-OG1 3.3Å; H649-T681 VanDerWaalsContact N-OG1 3.15Å
650	Y	98.3	Very high	95.5	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.5	176.1	-58.7	-85.4	0	0	0	111.4	M551 V554 N640 V641 L643 D648 I677 Q678 N679	M551-Y650 HydrophobicContact CE-CD1 3.95Å; M551-Y650 HydrophobicContact CE-CE1 3.69Å; M551-Y650 HydrophobicContact SD-CD1 4.02Å; M551-Y650 HydrophobicContact SD-CE1 3.9Å; V554-Y650 HydrophobicContact CG1-CD1 4.31Å; V554-Y650 HydrophobicContact CG1-CD2 4.42Å; V554-Y650 HydrophobicContact CG1-CG 4.04Å; V554-Y650 HydrophobicContact CG2-CD2 3.97Å; V554-Y650 HydrophobicContact CG2-CE1 4.48Å; V554-Y650 HydrophobicContact CG2-CE2 3.89Å; V554-Y650 HydrophobicContact CG2-CG 4.3Å; N640-Y650 CarbonylContact C-O 3.3Å; N640-Y650 WeakPolarHBondContact CA-O 3.49Å; V641-Y650 PolarHBondContact N-O 3.1Å; V641-Y650 PolarHBondContact O-N 3.13Å; L643-Y650 HydrophobicContact CD1-CE2 3.79Å; L643-Y650 HydrophobicContact CG-CD2 4.49Å; L643-Y650 HydrophobicContact CG-CE2 4.13Å; D648-Y650 HydrophobicContact CB-CD2 4.16Å; D648-Y650 HydrophobicContact CB-CE2 3.51Å; D648-Y650 PolarHBondContact OD2-OH 3.19Å; Y650-I677 HydrophobicContact CD1-CG2 4.21Å; Y650-Q678 CarbonylContact C-O 3.55Å; Y650-Q678 VanDerWaalsContact CA-O 3.3Å; Y650-Q678 WeakPolarHBondContact CA-O 3.46Å; Y650-N679 HydrophobicContact CD1-CB 4.04Å; Y650-N679 HydrophobicContact CE1-CB 4.07Å
651	E	97.4	Very high	94.7	Very high	21 Å²	21	32 Å²	32	10%	0.098	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.7	168.2	-177.4	177.8	-98.9	0	0	110.5	M638 V639 N640 Q678 L680 R835	M638-E651 VanDerWaalsContact CB-CD 3.5Å; M638-E651 HydrophobicContact CB-CG 3.62Å; M638-E651 WeakPolarHBondContact CB-OE1 3.04Å; M638-E651 HydrophobicContact CE-CG 3.78Å; M638-E651 WeakPolarHBondContact CE-OE2 3.11Å; M638-E651 HydrophobicContact CG-CG 4.13Å; V639-E651 CarbonylContact O-C 3.45Å; V639-E651 WeakPolarHBondContact O-CA 3.48Å; N640-E651 PolarHBondContact ND2-OE1 2.58Å; E651-Q678 PolarHBondContact N-O 3.48Å; E651-Q678 PolarHBondContact O-N 3.46Å; E651-L680 HydrophobicContact CB-CD1 3.81Å; E651-L680 HydrophobicContact CB-CD2 4.5Å; E651-L680 HydrophobicContact CB-CG 4.15Å; E651-R835 IonicContact OE1-CZ 2.75Å; E651-R835 IonicContact OE1-NH2 2.93Å; E651-R835 PolarHBondContact OE1-NH2 3.18Å; E651-R835 IonicContact OE2-CZ 2.82Å; E651-R835 IonicContact OE2-NH1 3.94Å; E651-R835 PolarHBondContact OE2-NH1 3.3Å; E651-R835 IonicContact OE2-NH2 3.97Å; E651-R835 PolarHBondContact OE2-NH2 2.97Å
652	W	97.9	Very high	93.6	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.027	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.3	172.9	70.5	98.2	0	0	0	115.2	V554 F557 A558 M638 V639 V641 V675 T676 I677	V554-W652 HydrophobicContact CG1-CH2 4.46Å; V554-W652 HydrophobicContact CG1-CZ3 4.05Å; F557-W652 AromaticContact CD1-CH2 3.78Å; F557-W652 HydrophobicContact CD1-CH2 3.78Å; F557-W652 AromaticContact CD1-CZ2 3.88Å; F557-W652 HydrophobicContact CD1-CZ2 3.88Å; F557-W652 AromaticContact CE1-CH2 3.81Å; F557-W652 HydrophobicContact CE1-CH2 3.81Å; F557-W652 AromaticContact CE1-CZ2 3.89Å; F557-W652 HydrophobicContact CE1-CZ2 3.89Å; A558-W652 HydrophobicContact CB-CD2 4.32Å; A558-W652 HydrophobicContact CB-CZ2 3.86Å; M638-W652 WeakPolarHBondContact CA-O 3.44Å; M638-W652 VanDerWaalsContact CE-C 3.46Å; V639-W652 HydrophobicContact CB-CD2 3.87Å; V639-W652 HydrophobicContact CB-CE3 4.34Å; V639-W652 HydrophobicContact CB-CG 4.33Å; V639-W652 HydrophobicContact CB-CH2 4.35Å; V639-W652 HydrophobicContact CB-CZ2 3.86Å; V639-W652 HydrophobicContact CG1-CD2 4.3Å; V639-W652 HydrophobicContact CG1-CH2 3.72Å; V639-W652 HydrophobicContact CG1-CZ2 3.42Å; V639-W652 VanDerWaalsContact CG1-CZ2 3.42Å; V639-W652 HydrophobicContact CG1-CZ3 4.25Å; V639-W652 PolarHBondContact N-O 2.93Å; V639-W652 PolarHBondContact O-N 3.09Å; V641-W652 HydrophobicContact CB-CH2 4.32Å; V641-W652 HydrophobicContact CB-CZ3 4.05Å; V641-W652 HydrophobicContact CG2-CH2 3.59Å; V641-W652 HydrophobicContact CG2-CZ3 3.81Å; W652-V675 HydrophobicContact CB-CG1 3.8Å; W652-V675 HydrophobicContact CG-CG1 4.08Å; W652-T676 WeakPolarHBondContact CA-O 3.49Å; W652-T676 WeakPolarHBondContact CB-O 3.24Å; W652-I677 HydrophobicContact CB-CB 4.15Å; W652-I677 HydrophobicContact CB-CG1 3.76Å; W652-I677 HydrophobicContact CB-CG2 4.25Å; W652-I677 HydrophobicContact CE3-CG2 4.28Å; W652-I677 HydrophobicContact CG-CG1 4.22Å
653	N	96.4	Very high	92.3	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-91.7	166.1	175.8	71.7	-80.3	0	0	0	112.5	M638 E674 V675 T676	M638-N653 HydrophobicContact CE-CB 3.97Å; M638-N653 HydrophobicContact SD-CB 3.98Å; N653-E674 PolarHBondContact ND2-O 2.91Å; N653-V675 WeakPolarHBondContact O-CG1 3.48Å; N653-V675 WeakPolarHBondContact OD1-CA 3.44Å; N653-T676 PolarHBondContact OD1-N 2.89Å
654	K	96.8	Very high	91	Very high	32 Å²	32	36.3 Å²	36.3	14%	0.139	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-101.7	158.7	171.2	-72.1	-178.3	168.4	162.2	0	112.4	E531 Y562 P635 V639	E531-K654 IonicContact OE1-NZ 3.45Å; E531-K654 PolarHBondContact OE1-NZ 2.8Å; E531-K654 IonicContact OE2-NZ 3.66Å; E531-K654 PolarHBondContact OE2-NZ 3.17Å; Y562-K654 WeakPolarHBondContact OH-CA 3.27Å; Y562-K654 WeakPolarHBondContact OH-CB 3.36Å; Y562-K654 WeakPolarHBondContact OH-CG 3.01Å; P635-K654 HydrophobicContact CB-CB 3.86Å; P635-K654 HydrophobicContact CB-CD 4.47Å; P635-K654 HydrophobicContact CG-CB 3.42Å; P635-K654 VanDerWaalsContact CG-CB 3.42Å; V639-K654 HydrophobicContact CG2-CD 4.25Å; V639-K654 VanDerWaalsContact CG2-CE 3.43Å; V639-K654 HydrophobicContact CG2-CG 4.21Å
655	V	96.6	Very high	89.7	Confident	4 Å²	4	37 Å²	37	2%	0.024	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-94.9	166.7	179.1	-65.3	0	0	0	0	112.7	Y562 P635 H671 V675 F691	Y562-V655 HydrophobicContact CD1-CG2 4.43Å; Y562-V655 HydrophobicContact CE1-CG2 3.62Å; Y562-V655 PolarHBondContact OH-N 3.38Å; Y562-V655 VanDerWaalsContact OH-N 3.1Å; P635-V655 VanDerWaalsContact CD-O 3.27Å; P635-V655 WeakPolarHBondContact CD-O 3.49Å; P635-V655 WeakPolarHBondContact CG-O 3.11Å; V655-H671 HydrophobicContact CG2-CB 4.22Å; V655-V675 HydrophobicContact CG1-CG2 3.66Å; V655-F691 HydrophobicContact CB-CD2 4.46Å; V655-F691 HydrophobicContact CG1-CD2 3.79Å; V655-F691 HydrophobicContact CG1-CE2 4.32Å; V655-F691 HydrophobicContact CG1-CG 4.35Å; V655-F691 HydrophobicContact CG2-CB 4.43Å; V655-F691 HydrophobicContact CG2-CD1 4.19Å; V655-F691 HydrophobicContact CG2-CD2 3.94Å; V655-F691 HydrophobicContact CG2-CE1 4.42Å; V655-F691 HydrophobicContact CG2-CE2 4.19Å; V655-F691 HydrophobicContact CG2-CG 3.94Å; V655-F691 HydrophobicContact CG2-CZ 4.42Å
656	V	94.4	Very high	88.7	Confident	29 Å²	29	38.3 Å²	38.3	18%	0.176	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.6	177.5	179.7	0	0	0	0	109.4	E632 L634 H671 Y672	E632-V656 HydrophobicContact CB-CG1 4.18Å; E632-V656 HydrophobicContact CG-CG1 4.2Å; L634-V656 HydrophobicContact CD2-CG2 4.2Å; L634-V656 HydrophobicContact CG-CG1 4.39Å; L634-V656 HydrophobicContact CG-CG2 4.18Å; V656-H671 WeakPolarHBondContact O-CA 3.49Å; V656-Y672 HydrophobicContact CB-CD2 4.28Å; V656-Y672 HydrophobicContact CB-CE2 4Å; V656-Y672 HydrophobicContact CG1-CE2 4.07Å; V656-Y672 PolarHBondContact N-O 2.85Å; V656-Y672 VanDerWaalsContact N-O 3.11Å; V656-Y672 PolarHBondContact O-N 2.92Å
657	T	92.8	Very high	88.2	Confident	22 Å²	22	36 Å²	36	14%	0.135	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120	170.5	-61.4	0	0	0	0	108.7	I633 L669 H671	I633-T657 PolarHBondContact N-O 2.68Å; I633-T657 PolarHBondContact O-N 2.96Å; T657-L669 HydrophobicContact CG2-CD2 3.74Å; T657-H671 VanDerWaalsContact CG2-CE1 3.43Å; T657-H671 WeakPolarHBondContact CG2-CE1 3.28Å; T657-H671 PolarHBondContact OG1-CE1 2.92Å; T657-H671 VanDerWaalsContact OG1-CE1 3.27Å; T657-H671 PolarHBondContact OG1-ND1 3.24Å
658	C	90.2	Very high	87.6	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.8	178.5	-172.4	0	0	0	0	109.9	L631 H660 E670 Y672	L631-C658 WeakPolarHBondContact O-CA 3.37Å; C658-H660 VanDerWaalsContact SG-CE1 3.56Å; C658-H660 PolarHBondContact SG-NE2 3.09Å; C658-E670 PolarHBondContact N-O 3.22Å; C658-E670 PolarHBondContact O-N 3.22Å; C658-Y672 HydrophobicContact CB-CE1 3.65Å
659	I	87.6	Confident	87.3	Confident	34 Å²	34	39 Å²	39	17%	0.174	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.8	167.1	-30.4	-166.2	0	0	0	107.3	S630 L631 I633 V662 L669	S630-I659 CarbonylContact C-O 3.53Å; S630-I659 WeakPolarHBondContact CA-O 3.28Å; S630-I659 WeakPolarHBondContact CB-O 3.38Å; L631-I659 HydrophobicContact CB-CB 4.39Å; L631-I659 HydrophobicContact CB-CG1 4.4Å; L631-I659 HydrophobicContact CD2-CD1 4.18Å; L631-I659 PolarHBondContact N-O 2.96Å; L631-I659 PolarHBondContact O-N 2.82Å; I633-I659 HydrophobicContact CD1-CD1 4.03Å; I633-I659 HydrophobicContact CD1-CG1 4.25Å; I659-V662 HydrophobicContact CB-CG1 3.62Å; I659-V662 HydrophobicContact CG2-CG1 3.74Å; I659-V662 WeakPolarHBondContact O-CG1 3.42Å; I659-L669 HydrophobicContact CB-CD2 4.04Å; I659-L669 HydrophobicContact CD1-CD2 4.3Å; I659-L669 HydrophobicContact CG1-CD2 3.66Å; I659-L669 HydrophobicContact CG2-CD2 4.04Å
660	H	84.9	Confident	86.9	Confident	19 Å²	19	37.8 Å²	37.8	9%	0.088	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152.5	177.3	-69	-85.7	0	0	0	111.2	S630 C658 V662 R667 Y668 E670	S630-H660 PolarHBondContact OG-ND1 3.38Å; S630-H660 VanDerWaalsContact OG-ND1 3.09Å; C658-H660 VanDerWaalsContact SG-CE1 3.56Å; C658-H660 PolarHBondContact SG-NE2 3.09Å; H660-V662 VanDerWaalsContact C-N 3.34Å; H660-V662 PolarHBondContact O-N 3.35Å; H660-R667 WeakPolarHBondContact O-CA 3.36Å; H660-Y668 HydrophobicContact CB-CD1 3.85Å; H660-Y668 HydrophobicContact CB-CD2 4.06Å; H660-Y668 HydrophobicContact CB-CE1 3.46Å; H660-Y668 VanDerWaalsContact CB-CE1 3.46Å; H660-Y668 HydrophobicContact CB-CE2 3.7Å; H660-Y668 HydrophobicContact CB-CG 4.13Å; H660-Y668 AromaticContact CD2-CD2 3.87Å; H660-Y668 AromaticContact CD2-CE2 3.3Å; H660-Y668 WeakPolarHBondContact CD2-CE2 3.39Å; H660-Y668 AromaticContact CD2-CZ 3.75Å; H660-Y668 AromaticContact CG-CE2 3.6Å; H660-Y668 AromaticContact CG-CZ 3.53Å; H660-Y668 PolarHBondContact N-O 2.91Å; H660-Y668 PolarHBondContact O-N 2.95Å; H660-E670 IonicContact CE1-OE2 3.26Å; H660-E670 IonicContact NE2-OE2 2.71Å; H660-E670 PolarHBondContact NE2-OE2 2.94Å
661	N	81.5	Confident	86.8	Confident	52 Å²	52	38 Å²	38	28%	0.278	19%	0.19	S	C	.	.			trans	53.7	42.3	-179.1	-57.8	-25.2	0	0	0	113.9	K629 L663 S664 Q666 R667	K629-N661 CarbonylContact O-C 3.56Å; K629-N661 VanDerWaalsContact O-CA 3.27Å; K629-N661 WeakPolarHBondContact O-CA 3.49Å; K629-N661 PolarHBondContact O-N 2.91Å; N661-L663 PolarHBondContact O-N 3.32Å; N661-S664 WeakPolarHBondContact O-CB 3.21Å; N661-S664 PolarHBondContact O-N 2.87Å; N661-Q666 WeakPolarHBondContact CB-O 3.31Å; N661-Q666 PolarHBondContact ND2-O 3.34Å; N661-Q666 VanDerWaalsContact ND2-O 3.16Å; N661-R667 VanDerWaalsContact O-CG 3.24Å; N661-R667 WeakPolarHBondContact O-CG 3.37Å
662	V	75.2	Confident	86.6	Confident	16 Å²	16	38.3 Å²	38.3	10%	0.097	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.2	-174.9	-62.4	0	0	0	0	115	F626 K629 L631 I659 H660	F626-V662 HydrophobicContact CD2-CG2 4.3Å; F626-V662 HydrophobicContact CE2-CG2 3.76Å; K629-V662 PolarHBondContact O-N 3.26Å; L631-V662 HydrophobicContact CB-CG1 3.87Å; I659-V662 HydrophobicContact CB-CG1 3.62Å; I659-V662 HydrophobicContact CG2-CG1 3.74Å; I659-V662 WeakPolarHBondContact O-CG1 3.42Å; H660-V662 VanDerWaalsContact C-N 3.34Å; H660-V662 PolarHBondContact O-N 3.35Å
663	L	72.6	Confident	86.5	Confident	54 Å²	54	39.6 Å²	39.6	28%	0.283	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.6	176.3	-51.1	-179.4	0	0	0	113.2	M498 L501 F626 G628 N661	M498-L663 HydrophobicContact CE-CB 3.87Å; M498-L663 HydrophobicContact CE-CD1 3.79Å; M498-L663 HydrophobicContact CE-CG 4.34Å; M498-L663 HydrophobicContact SD-CB 4Å; M498-L663 HydrophobicContact SD-CD1 3.81Å; M498-L663 HydrophobicContact SD-CD2 3.93Å; M498-L663 HydrophobicContact SD-CG 4.12Å; L501-L663 HydrophobicContact CD1-CD2 3.33Å; F626-L663 HydrophobicContact CZ-CD2 4.39Å; G628-L663 VanDerWaalsContact O-CD1 3.28Å; G628-L663 WeakPolarHBondContact O-CD1 3.34Å; N661-L663 PolarHBondContact O-N 3.32Å
664	S	71.2	Confident	86.6	Confident	52 Å²	52	41.5 Å²	41.5	36%	0.364	21%	0.213	S	C	.	.	S	Bend	trans	-111.7	168.9	-179.4	-174.4	0	0	0	0	111.3	N661 Q666 R667	N661-S664 WeakPolarHBondContact O-CB 3.21Å; N661-S664 PolarHBondContact O-N 2.87Å; S664-Q666 PolarHBondContact OG-N 2.93Å; S664-Q666 VanDerWaalsContact OG-N 3.12Å; S664-R667 PolarHBondContact O-NE 3.02Å
665	Q	68.9	Low	86.6	Confident	91 Å²	91	40.1 Å²	40.1	43%	0.425	21%	0.207	S	C	.	.	S	Bend	trans	-81.2	-24.1	164.3	-56.8	-61.8	12.2	0	0	112.2	R667	Q665-R667 PolarHBondContact O-N 3.12Å
666	Q	75	Confident	86.7	Confident	160 Å²	160	42 Å²	42	75%	0.748	22%	0.219	S	C	*	.	S	Bend	trans	-83.8	63.3	174.5	-67.6	-176.3	-7.3	0	0	111.6	N661 S664	N661-Q666 WeakPolarHBondContact CB-O 3.31Å; N661-Q666 PolarHBondContact ND2-O 3.34Å; N661-Q666 VanDerWaalsContact ND2-O 3.16Å; S664-Q666 PolarHBondContact OG-N 2.93Å; S664-Q666 VanDerWaalsContact OG-N 3.12Å
667	R	83.3	Confident	86.9	Confident	28 Å²	28	40.6 Å²	40.6	11%	0.106	21%	0.21	C	C	.	.			trans	-79.6	146.4	172.8	-77.6	170	-109.9	151.9	6.8	110.9	L497 N569 R570 H660 N661 S664 Q665	L497-R667 VanDerWaalsContact CD1-NH2 3.33Å; N569-R667 PolarHBondContact ND2-O 3.2Å; R570-R667 PolarHBondContact O-NH1 2.92Å; H660-R667 WeakPolarHBondContact O-CA 3.36Å; N661-R667 VanDerWaalsContact O-CG 3.24Å; N661-R667 WeakPolarHBondContact O-CG 3.37Å; S664-R667 PolarHBondContact O-NE 3.02Å; Q665-R667 PolarHBondContact O-N 3.12Å
668	Y	84.6	Confident	87	Confident	83 Å²	83	44.2 Å²	44.2	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.6	166.2	67.1	-88.1	0	0	0	110.5	H660	H660-Y668 HydrophobicContact CB-CD1 3.85Å; H660-Y668 HydrophobicContact CB-CD2 4.06Å; H660-Y668 HydrophobicContact CB-CE1 3.46Å; H660-Y668 VanDerWaalsContact CB-CE1 3.46Å; H660-Y668 HydrophobicContact CB-CE2 3.7Å; H660-Y668 HydrophobicContact CB-CG 4.13Å; H660-Y668 AromaticContact CD2-CD2 3.87Å; H660-Y668 AromaticContact CD2-CE2 3.3Å; H660-Y668 WeakPolarHBondContact CD2-CE2 3.39Å; H660-Y668 AromaticContact CD2-CZ 3.75Å; H660-Y668 AromaticContact CG-CE2 3.6Å; H660-Y668 AromaticContact CG-CZ 3.53Å; H660-Y668 PolarHBondContact N-O 2.91Å; H660-Y668 PolarHBondContact O-N 2.95Å
669	L	89.1	Confident	87.3	Confident	24 Å²	24	44.6 Å²	44.6	13%	0.126	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.7	178.4	-77.2	162.1	0	0	0	109.4	A565 N569 T657 I659	A565-L669 HydrophobicContact CB-CD1 3.99Å; A565-L669 VanDerWaalsContact O-CD1 3.31Å; A565-L669 WeakPolarHBondContact O-CD1 3.17Å; N569-L669 HydrophobicContact CB-CD1 3.79Å; N569-L669 HydrophobicContact CB-CG 4.07Å; T657-L669 HydrophobicContact CG2-CD2 3.74Å; I659-L669 HydrophobicContact CB-CD2 4.04Å; I659-L669 HydrophobicContact CD1-CD2 4.3Å; I659-L669 HydrophobicContact CG1-CD2 3.66Å; I659-L669 HydrophobicContact CG2-CD2 4.04Å
670	E	90.8	Very high	87.6	Confident	15 Å²	15	46.6 Å²	46.6	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.7	172	-174.8	-171.5	-146.1	0	0	108.5	C658 H660 Y672 K693 S694	C658-E670 PolarHBondContact N-O 3.22Å; C658-E670 PolarHBondContact O-N 3.22Å; H660-E670 IonicContact CE1-OE2 3.26Å; H660-E670 IonicContact NE2-OE2 2.71Å; H660-E670 PolarHBondContact NE2-OE2 2.94Å; E670-Y672 HydrophobicContact CG-CD1 4.01Å; E670-Y672 WeakPolarHBondContact OE2-CD1 3.33Å; E670-K693 WeakPolarHBondContact OE1-CG 3.16Å; E670-S694 WeakPolarHBondContact OE1-CB 3.41Å; E670-S694 PolarHBondContact OE1-N 3.37Å
671	H	94.6	Very high	88	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.3	170.7	-58.6	-67.8	0	0	0	108.9	Y562 A565 V655 V656 T657 F691 W725	Y562-H671 HydrophobicContact CD1-CB 4.49Å; Y562-H671 AromaticContact CD1-CE1 3.81Å; Y562-H671 AromaticContact CD1-CG 3.85Å; Y562-H671 AromaticContact CD1-ND1 3.63Å; A565-H671 WeakPolarHBondContact CB-NE2 3.02Å; V655-H671 HydrophobicContact CG2-CB 4.22Å; V656-H671 WeakPolarHBondContact O-CA 3.49Å; T657-H671 VanDerWaalsContact CG2-CE1 3.43Å; T657-H671 WeakPolarHBondContact CG2-CE1 3.28Å; T657-H671 PolarHBondContact OG1-CE1 2.92Å; T657-H671 VanDerWaalsContact OG1-CE1 3.27Å; T657-H671 PolarHBondContact OG1-ND1 3.24Å; H671-F691 HydrophobicContact CB-CD1 3.79Å; H671-F691 HydrophobicContact CB-CE1 4.3Å; H671-W725 AromaticContact CD2-CD2 3.9Å; H671-W725 AromaticContact CD2-CE2 3.58Å; H671-W725 AromaticContact CD2-CH2 3.94Å; H671-W725 AromaticContact CD2-CZ2 3.63Å; H671-W725 AromaticContact CD2-NE1 3.97Å
672	Y	94.6	Very high	88.5	Confident	27 Å²	27	49.2 Å²	49.2	11%	0.106	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151.3	178	60.6	-101.2	0	0	0	113.7	E632 V656 C658 E670 F691 K693	E632-Y672 PolarHBondContact OE1-OH 3.34Å; V656-Y672 HydrophobicContact CB-CD2 4.28Å; V656-Y672 HydrophobicContact CB-CE2 4Å; V656-Y672 HydrophobicContact CG1-CE2 4.07Å; V656-Y672 PolarHBondContact N-O 2.85Å; V656-Y672 VanDerWaalsContact N-O 3.11Å; V656-Y672 PolarHBondContact O-N 2.92Å; C658-Y672 HydrophobicContact CB-CE1 3.65Å; E670-Y672 HydrophobicContact CG-CD1 4.01Å; E670-Y672 WeakPolarHBondContact OE2-CD1 3.33Å; Y672-F691 WeakPolarHBondContact CA-O 3.45Å; Y672-K693 HydrophobicContact CD1-CD 3.79Å; Y672-K693 HydrophobicContact CD1-CG 3.92Å; Y672-K693 HydrophobicContact CD2-CD 3.98Å; Y672-K693 HydrophobicContact CE1-CD 4Å; Y672-K693 VanDerWaalsContact CE1-NZ 3.35Å; Y672-K693 HydrophobicContact CE2-CD 4.17Å; Y672-K693 HydrophobicContact CG-CB 4.16Å; Y672-K693 HydrophobicContact CG-CD 3.78Å; Y672-K693 HydrophobicContact CG-CG 3.94Å; Y672-K693 PolarHBondContact OH-NZ 2.96Å
673	G	95.8	Very high	89.2	Confident	34 Å²	34	53.8 Å²	53.8	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.9	-162.7	-179.1	0	0	0	0	0	111.5	F691	G673-F691 PolarHBondContact N-O 3.48Å; G673-F691 PolarHBondContact O-N 3.2Å
674	E	97.3	Very high	90.2	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.7	-173.4	-171.1	169.3	137.6	0	0	110.4	N653 K688 I689	N653-E674 PolarHBondContact ND2-O 2.91Å; E674-K688 HydrophobicContact CG-CG 4.11Å; E674-K688 IonicContact OE1-NZ 3.43Å; E674-K688 PolarHBondContact OE1-NZ 2.58Å; E674-K688 WeakPolarHBondContact OE2-CE 3.45Å; E674-K688 IonicContact OE2-NZ 2.94Å; E674-K688 PolarHBondContact OE2-NZ 3.34Å; E674-I689 CarbonylContact C-O 3.58Å; E674-I689 WeakPolarHBondContact CA-O 3.49Å
675	V	98.2	Very high	91.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129	162.1	179.8	0	0	0	0	107.7	W652 N653 V655 I677 I689 F691	W652-V675 HydrophobicContact CB-CG1 3.8Å; W652-V675 HydrophobicContact CG-CG1 4.08Å; N653-V675 WeakPolarHBondContact O-CG1 3.48Å; N653-V675 WeakPolarHBondContact OD1-CA 3.44Å; V655-V675 HydrophobicContact CG1-CG2 3.66Å; V675-I677 HydrophobicContact CG1-CG1 3.89Å; V675-I689 HydrophobicContact CB-CB 4.14Å; V675-I689 HydrophobicContact CB-CD1 4.47Å; V675-I689 PolarHBondContact N-O 2.69Å; V675-I689 PolarHBondContact O-N 2.85Å; V675-F691 HydrophobicContact CG2-CD2 4.41Å; V675-F691 HydrophobicContact CG2-CE2 3.99Å
676	T	97.9	Very high	92.7	Very high	44 Å²	44	48.9 Å²	48.9	27%	0.27	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.7	164.6	-50.7	0	0	0	0	108.3	W652 N653 Q678 C687	W652-T676 WeakPolarHBondContact CA-O 3.49Å; W652-T676 WeakPolarHBondContact CB-O 3.24Å; N653-T676 PolarHBondContact OD1-N 2.89Å; T676-Q678 HydrophobicContact CG2-CG 3.97Å; T676-C687 CarbonylContact C-O 3.52Å; T676-C687 WeakPolarHBondContact CA-O 3.11Å
677	I	98.4	Very high	93.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.2	171.5	-43.8	-170.8	0	0	0	107.9	M551 V554 A555 A558 Y650 W652 V675 C687 I689	M551-I677 HydrophobicContact SD-CB 4.02Å; M551-I677 HydrophobicContact SD-CG2 3.76Å; V554-I677 HydrophobicContact CG1-CD1 4.39Å; V554-I677 HydrophobicContact CG1-CG2 4.16Å; A555-I677 HydrophobicContact CB-CD1 4Å; A558-I677 HydrophobicContact CB-CD1 3.89Å; Y650-I677 HydrophobicContact CD1-CG2 4.21Å; W652-I677 HydrophobicContact CB-CB 4.15Å; W652-I677 HydrophobicContact CB-CG1 3.76Å; W652-I677 HydrophobicContact CB-CG2 4.25Å; W652-I677 HydrophobicContact CE3-CG2 4.28Å; W652-I677 HydrophobicContact CG-CG1 4.22Å; V675-I677 HydrophobicContact CG1-CG1 3.89Å; I677-C687 HydrophobicContact CB-CB 4.21Å; I677-C687 PolarHBondContact N-O 3.21Å; I677-C687 PolarHBondContact O-N 2.89Å; I677-I689 HydrophobicContact CD1-CD1 3.88Å; I677-I689 HydrophobicContact CG1-CD1 4.35Å
678	Q	96.1	Very high	94.5	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.6	176.3	-58.9	-174.8	-2.5	0	0	108.9	Y650 E651 T676 T686	Y650-Q678 CarbonylContact C-O 3.55Å; Y650-Q678 VanDerWaalsContact CA-O 3.3Å; Y650-Q678 WeakPolarHBondContact CA-O 3.46Å; E651-Q678 PolarHBondContact N-O 3.48Å; E651-Q678 PolarHBondContact O-N 3.46Å; T676-Q678 HydrophobicContact CG2-CG 3.97Å; Q678-T686 HydrophobicContact CG-CG2 4.25Å
679	N	95.9	Very high	95.2	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.2	164.5	-174.2	-28.7	0	0	0	108.1	D648 H649 Y650 T681 N682	D648-N679 PolarHBondContact OD1-ND2 2.89Å; H649-N679 PolarHBondContact N-OD1 3.21Å; H649-N679 CarbonylContact O-C 3.59Å; H649-N679 VanDerWaalsContact O-CA 3.31Å; H649-N679 WeakPolarHBondContact O-CA 3.39Å; H649-N679 PolarHBondContact O-OD1 3.46Å; Y650-N679 HydrophobicContact CD1-CB 4.04Å; Y650-N679 HydrophobicContact CE1-CB 4.07Å; N679-T681 PolarHBondContact OD1-N 3.29Å; N679-T681 PolarHBondContact OD1-OG1 3.36Å; N679-N682 CarbonylContact C-O 3.37Å; N679-N682 WeakPolarHBondContact CB-O 3.24Å; N679-N682 PolarHBondContact ND2-ND2 2.68Å; N679-N682 VanDerWaalsContact ND2-ND2 3.16Å; N679-N682 PolarHBondContact ND2-OD1 2.75Å; N679-N682 PolarHBondContact OD1-N 3.47Å; N679-N682 VanDerWaalsContact OD1-N 3.09Å
680	L	94.3	Very high	95.6	Very high	75 Å²	75	40.9 Å²	40.9	39%	0.393	23%	0.225	S	C	.	.	S	Bend	trans	-98	-14.4	-174.4	-57.6	-174.1	0	0	0	112.5	H649 E651	H649-L680 HydrophobicContact CB-CB 4.46Å; H649-L680 PolarHBondContact O-N 2.98Å; E651-L680 HydrophobicContact CB-CD1 3.81Å; E651-L680 HydrophobicContact CB-CD2 4.5Å; E651-L680 HydrophobicContact CB-CG 4.15Å
681	T	93.9	Very high	95.8	Very high	85 Å²	85	40.3 Å²	40.3	52%	0.521	22%	0.222	S	C	.	.	S	Bend	trans	-102.3	-22.8	175.8	50.3	0	0	0	0	113	G647 D648 H649 N679	G647-T681 WeakPolarHBondContact O-CB 3.44Å; G647-T681 PolarHBondContact O-OG1 3.35Å; D648-T681 WeakPolarHBondContact CA-OG1 3.37Å; H649-T681 HydrophobicContact CB-CG2 3.92Å; H649-T681 PolarHBondContact N-OG1 3.3Å; H649-T681 VanDerWaalsContact N-OG1 3.15Å; N679-T681 PolarHBondContact OD1-N 3.29Å; N679-T681 PolarHBondContact OD1-OG1 3.36Å
682	N	90.1	Very high	95.7	Very high	42 Å²	42	41.4 Å²	41.4	23%	0.225	23%	0.229	C	C	.	.			trans	-137.3	151.5	163.1	63.6	75.6	0	0	0	111.9	D648 N679 T684	D648-N682 PolarHBondContact OD1-ND2 3.31Å; N679-N682 CarbonylContact C-O 3.37Å; N679-N682 WeakPolarHBondContact CB-O 3.24Å; N679-N682 PolarHBondContact ND2-ND2 2.68Å; N679-N682 VanDerWaalsContact ND2-ND2 3.16Å; N679-N682 PolarHBondContact ND2-OD1 2.75Å; N679-N682 PolarHBondContact OD1-N 3.47Å; N679-N682 VanDerWaalsContact OD1-N 3.09Å; N682-T684 PolarHBondContact OD1-OG1 3.03Å
683	N	90.9	Very high	95.4	Very high	112 Å²	112	45.1 Å²	45.1	60%	0.599	25%	0.245	S	C	*	.			trans	-99.8	14.1	177.4	64.2	-31.6	0	0	0	112.8	C685 Q713	N683-C685 VanDerWaalsContact C-N 3.26Å; N683-C685 PolarHBondContact O-N 2.63Å; N683-Q713 WeakPolarHBondContact O-CG 3.16Å; N683-Q713 PolarHBondContact OD1-NE2 3.39Å
684	T	93.9	Very high	94.5	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.252	24%	0.243	S	C	.	.	S	Bend	trans	-54.9	-39	-171.3	-53.3	0	0	0	0	113.3	P547 N682	P547-T684 HydrophobicContact CB-CG2 4.31Å; P547-T684 HydrophobicContact CG-CG2 3.9Å; N682-T684 PolarHBondContact OD1-OG1 3.03Å
685	C	94.9	Very high	93.3	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	159.6	171.8	65	0	0	0	0	112	Y548 M551 N683 V710 I711	Y548-C685 HydrophobicContact CD1-CB 3.61Å; Y548-C685 HydrophobicContact CE1-CB 3.61Å; M551-C685 WeakPolarHBondContact CE-O 3.41Å; N683-C685 VanDerWaalsContact C-N 3.26Å; N683-C685 PolarHBondContact O-N 2.63Å; C685-V710 HydrophobicContact CB-CG1 3.91Å; C685-I711 CarbonylContact C-O 3.5Å; C685-I711 WeakPolarHBondContact CA-O 3.42Å; C685-I711 VanDerWaalsContact CB-O 3.27Å; C685-I711 WeakPolarHBondContact CB-O 3.43Å
686	T	97.1	Very high	91	Very high	50 Å²	50	55.6 Å²	55.6	31%	0.307	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	161.8	166.4	59.7	0	0	0	0	109.3	Q678 V710 I711	Q678-T686 HydrophobicContact CG-CG2 4.25Å; T686-V710 WeakPolarHBondContact O-CA 3.48Å; T686-I711 PolarHBondContact N-O 2.99Å; T686-I711 PolarHBondContact O-N 3.28Å
687	C	98.2	Very high	88.5	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.3	171.6	177.4	0	0	0	0	111.5	M551 T676 I677 T709 V710 F721	M551-C687 HydrophobicContact CG-CB 3.44Å; M551-C687 VanDerWaalsContact CG-CB 3.44Å; M551-C687 HydrophobicContact SD-CB 3.69Å; T676-C687 CarbonylContact C-O 3.52Å; T676-C687 WeakPolarHBondContact CA-O 3.11Å; I677-C687 HydrophobicContact CB-CB 4.21Å; I677-C687 PolarHBondContact N-O 3.21Å; I677-C687 PolarHBondContact O-N 2.89Å; C687-T709 VanDerWaalsContact CA-O 3.24Å; C687-T709 WeakPolarHBondContact CA-O 3.28Å; C687-T709 PolarHBondContact SG-O 3.28Å; C687-V710 HydrophobicContact CB-CG2 4.37Å; C687-F721 VanDerWaalsContact SG-CZ 3.57Å
688	K	98.3	Very high	86	Confident	79 Å²	79	64.9 Å²	64.9	34%	0.343	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.6	175.1	-178	-171.2	175.8	94.6	0	108	E674 G708 T709	E674-K688 HydrophobicContact CG-CG 4.11Å; E674-K688 IonicContact OE1-NZ 3.43Å; E674-K688 PolarHBondContact OE1-NZ 2.58Å; E674-K688 WeakPolarHBondContact OE2-CE 3.45Å; E674-K688 IonicContact OE2-NZ 2.94Å; E674-K688 PolarHBondContact OE2-NZ 3.34Å; K688-G708 CarbonylContact O-C 3.58Å; K688-G708 VanDerWaalsContact O-CA 3.32Å; K688-G708 WeakPolarHBondContact O-CA 3.49Å; K688-T709 PolarHBondContact N-O 3.49Å; K688-T709 PolarHBondContact O-N 2.96Å
689	I	98.3	Very high	83.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.3	179.2	-45.8	174	0	0	0	108.9	A555 I559 E674 V675 I677 F691 V706 Q707 F721	A555-I689 HydrophobicContact CB-CD1 3.72Å; A555-I689 HydrophobicContact CB-CG1 4.5Å; I559-I689 HydrophobicContact CD1-CD1 4.21Å; I559-I689 HydrophobicContact CD1-CG2 3.93Å; I559-I689 HydrophobicContact CG1-CD1 4.18Å; I559-I689 HydrophobicContact CG1-CG2 4.13Å; E674-I689 CarbonylContact C-O 3.58Å; E674-I689 WeakPolarHBondContact CA-O 3.49Å; V675-I689 HydrophobicContact CB-CB 4.14Å; V675-I689 HydrophobicContact CB-CD1 4.47Å; V675-I689 PolarHBondContact N-O 2.69Å; V675-I689 PolarHBondContact O-N 2.85Å; I677-I689 HydrophobicContact CD1-CD1 3.88Å; I677-I689 HydrophobicContact CG1-CD1 4.35Å; I689-F691 HydrophobicContact CG2-CD2 4.37Å; I689-F691 HydrophobicContact CG2-CE2 4.14Å; I689-V706 HydrophobicContact CG2-CG1 3.33Å; I689-Q707 CarbonylContact C-O 3.55Å; I689-Q707 WeakPolarHBondContact CA-O 3.49Å; I689-F721 HydrophobicContact CD1-CZ 4.45Å; I689-F721 HydrophobicContact CG1-CZ 4.14Å
690	T	97.6	Very high	82.1	Confident	49 Å²	49	69.2 Å²	69.2	30%	0.301	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.9	176	-56.1	0	0	0	0	109.5	V692 V706 Q707	T690-V692 HydrophobicContact CG2-CG2 4.43Å; T690-V706 WeakPolarHBondContact O-CA 3.43Å; T690-Q707 PolarHBondContact N-O 3.26Å; T690-Q707 PolarHBondContact O-N 3.28Å
691	F	96.3	Very high	80.5	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.013	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110	163	-75.6	-108.4	0	0	0	107.6	I559 Y562 V655 H671 Y672 G673 V675 I689 K693 V706 W725	I559-F691 HydrophobicContact CG1-CE2 4.46Å; I559-F691 HydrophobicContact CG1-CZ 4.19Å; I559-F691 HydrophobicContact CG2-CZ 4.38Å; Y562-F691 AromaticContact CD2-CE1 3.96Å; Y562-F691 HydrophobicContact CD2-CE1 3.96Å; Y562-F691 AromaticContact CD2-CZ 3.6Å; Y562-F691 HydrophobicContact CD2-CZ 3.6Å; Y562-F691 HydrophobicContact CE2-CE1 4.37Å; Y562-F691 HydrophobicContact CE2-CE2 4.36Å; Y562-F691 AromaticContact CE2-CZ 3.72Å; Y562-F691 HydrophobicContact CE2-CZ 3.72Å; Y562-F691 HydrophobicContact CG-CE1 4.07Å; Y562-F691 HydrophobicContact CG-CZ 4.19Å; V655-F691 HydrophobicContact CB-CD2 4.46Å; V655-F691 HydrophobicContact CG1-CD2 3.79Å; V655-F691 HydrophobicContact CG1-CE2 4.32Å; V655-F691 HydrophobicContact CG1-CG 4.35Å; V655-F691 HydrophobicContact CG2-CB 4.43Å; V655-F691 HydrophobicContact CG2-CD1 4.19Å; V655-F691 HydrophobicContact CG2-CD2 3.94Å; V655-F691 HydrophobicContact CG2-CE1 4.42Å; V655-F691 HydrophobicContact CG2-CE2 4.19Å; V655-F691 HydrophobicContact CG2-CG 3.94Å; V655-F691 HydrophobicContact CG2-CZ 4.42Å; H671-F691 HydrophobicContact CB-CD1 3.79Å; H671-F691 HydrophobicContact CB-CE1 4.3Å; Y672-F691 WeakPolarHBondContact CA-O 3.45Å; G673-F691 PolarHBondContact N-O 3.48Å; G673-F691 PolarHBondContact O-N 3.2Å; V675-F691 HydrophobicContact CG2-CD2 4.41Å; V675-F691 HydrophobicContact CG2-CE2 3.99Å; I689-F691 HydrophobicContact CG2-CD2 4.37Å; I689-F691 HydrophobicContact CG2-CE2 4.14Å; F691-K693 PolarHBondContact O-N 3.41Å; F691-V706 HydrophobicContact CD1-CG2 3.67Å; F691-V706 HydrophobicContact CE1-CG2 3.8Å; F691-V706 HydrophobicContact CE2-CG1 4.49Å; F691-V706 HydrophobicContact CG-CG2 4.1Å; F691-V706 HydrophobicContact CZ-CG2 4.31Å; F691-W725 HydrophobicContact CE1-CB 4.08Å; F691-W725 HydrophobicContact CE1-CG 4.29Å
692	V	92.3	Very high	79.3	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.182	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-74.2	122.3	-170.2	-177.2	0	0	0	0	109.7	T690 E705 Q707	T690-V692 HydrophobicContact CG2-CG2 4.43Å; V692-E705 HydrophobicContact CB-CB 4.03Å; V692-E705 WeakPolarHBondContact CB-O 3.49Å; V692-E705 HydrophobicContact CG2-CB 4.04Å; V692-E705 HydrophobicContact CG2-CG 3.99Å; V692-E705 PolarHBondContact N-O 3.16Å; V692-Q707 HydrophobicContact CG2-CG 4.2Å
693	K	88.1	Confident	78.9	Confident	104 Å²	104	68.7 Å²	68.7	45%	0.452	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-75.4	132.2	174.5	-165.4	169.1	-174.5	165.8	0	110.4	E670 Y672 F691	E670-K693 WeakPolarHBondContact OE1-CG 3.16Å; Y672-K693 HydrophobicContact CD1-CD 3.79Å; Y672-K693 HydrophobicContact CD1-CG 3.92Å; Y672-K693 HydrophobicContact CD2-CD 3.98Å; Y672-K693 HydrophobicContact CE1-CD 4Å; Y672-K693 VanDerWaalsContact CE1-NZ 3.35Å; Y672-K693 HydrophobicContact CE2-CD 4.17Å; Y672-K693 HydrophobicContact CG-CB 4.16Å; Y672-K693 HydrophobicContact CG-CD 3.78Å; Y672-K693 HydrophobicContact CG-CG 3.94Å; Y672-K693 PolarHBondContact OH-NZ 2.96Å; F691-K693 PolarHBondContact O-N 3.41Å
694	S	77.6	Confident	78.9	Confident	43 Å²	43	64.7 Å²	64.7	30%	0.301	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69.1	136.6	179.7	-163.3	0	0	0	0	111.2	E670	E670-S694 WeakPolarHBondContact OE1-CB 3.41Å; E670-S694 PolarHBondContact OE1-N 3.37Å
695	R	70.4	Confident	78.8	Confident	125 Å²	125	62.9 Å²	62.9	47%	0.472	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-86.9	130.3	171.4	-62.8	-173	-169.6	153.9	6.8	108.7	E453 W697 G698	E453-R695 IonicContact OE1-CZ 2.75Å; E453-R695 VanDerWaalsContact OE1-CZ 3.22Å; E453-R695 IonicContact OE1-NH1 3.19Å; E453-R695 PolarHBondContact OE1-NH1 2.88Å; E453-R695 IonicContact OE1-NH2 3.41Å; E453-R695 PolarHBondContact OE1-NH2 3.41Å; E453-R695 IonicContact OE2-NH1 2.67Å; R695-W697 PolarHBondContact O-N 2.98Å; R695-G698 PolarHBondContact O-N 3.45Å
696	Y	50.2	Low	78.8	Confident	174 Å²	174	62.8 Å²	62.8	68%	0.682	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.9	-175.1	-125.5	-91.6	0	0	0	114.9
697	W	46	Very low	78.7	Confident	199 Å²	199	63 Å²	63	75%	0.754	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	8.6	177.5	47.2	-98	0	0	0	112.7	R695	R695-W697 PolarHBondContact O-N 2.98Å
698	G	46	Very low	78.6	Confident	40 Å²	40	63.2 Å²	63.2	41%	0.412	32%	0.315	S	S	.	.	S	Bend	trans	-83	164	175	0	0	0	0	0	112.4	R695	R695-G698 PolarHBondContact O-N 3.45Å
699	S	50.9	Low	78.6	Confident	85 Å²	85	61 Å²	61	59%	0.594	31%	0.308	S	S	*	.			trans	-62.7	145	165.8	149.8	0	0	0	0	110.6	S701	S699-S701 WeakPolarHBondContact CB-OG 3.35Å; S699-S701 PolarHBondContact O-N 3Å; S699-S701 VanDerWaalsContact OG-CB 3.27Å; S699-S701 WeakPolarHBondContact OG-CB 3.35Å; S699-S701 PolarHBondContact OG-N 3.2Å; S699-S701 PolarHBondContact OG-OG 3.38Å
700	D	59.9	Low	78.5	Confident	115 Å²	115	61 Å²	61	62%	0.615	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59.6	-8.3	177.4	-126.4	-5.2	0	0	0	112.7	N702 K703	D700-N702 VanDerWaalsContact C-N 3.28Å; D700-N702 PolarHBondContact O-N 3.5Å; D700-K703 WeakPolarHBondContact O-CB 3.35Å; D700-K703 PolarHBondContact O-N 2.96Å; D700-K703 WeakPolarHBondContact OD1-CD 3.39Å; D700-K703 IonicContact OD1-NZ 3.75Å; D700-K703 PolarHBondContact OD1-NZ 3.15Å; D700-K703 IonicContact OD2-NZ 3.89Å
701	S	59	Low	78.5	Confident	56 Å²	56	60.2 Å²	60.2	39%	0.392	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-55.2	-29.4	-178.8	49.8	0	0	0	0	116.4	S699	S699-S701 WeakPolarHBondContact CB-OG 3.35Å; S699-S701 PolarHBondContact O-N 3Å; S699-S701 VanDerWaalsContact OG-CB 3.27Å; S699-S701 WeakPolarHBondContact OG-CB 3.35Å; S699-S701 PolarHBondContact OG-N 3.2Å; S699-S701 PolarHBondContact OG-OG 3.38Å
702	N	69.1	Low	78.4	Confident	50 Å²	50	61.2 Å²	61.2	27%	0.267	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-106	3.9	-173	-62.9	62.6	0	0	0	112.4	D700 N704 E705	D700-N702 VanDerWaalsContact C-N 3.28Å; D700-N702 PolarHBondContact O-N 3.5Å; N702-N704 PolarHBondContact O-N 3.4Å; N702-E705 WeakPolarHBondContact CB-OE2 3.47Å; N702-E705 VanDerWaalsContact CG-OE2 3.27Å; N702-E705 PolarHBondContact ND2-OE2 2.85Å; N702-E705 WeakPolarHBondContact O-CB 3.15Å; N702-E705 PolarHBondContact O-N 2.72Å
703	K	82.9	Confident	78.5	Confident	86 Å²	86	65.6 Å²	65.6	37%	0.374	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	129.7	178.9	-175.2	169.5	-179.3	178.6	0	110	D700 E705 L724	D700-K703 WeakPolarHBondContact O-CB 3.35Å; D700-K703 PolarHBondContact O-N 2.96Å; D700-K703 WeakPolarHBondContact OD1-CD 3.39Å; D700-K703 IonicContact OD1-NZ 3.75Å; D700-K703 PolarHBondContact OD1-NZ 3.15Å; D700-K703 IonicContact OD2-NZ 3.89Å; K703-E705 PolarHBondContact O-N 3.22Å; K703-L724 VanDerWaalsContact O-CD2 3.26Å; K703-L724 WeakPolarHBondContact O-CD2 3.44Å
704	N	90.1	Very high	78.7	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.144	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	17.7	-175.9	-57.4	-17.9	0	0	0	114.7	N702 L724 W725 H726	N702-N704 PolarHBondContact O-N 3.4Å; N704-L724 HydrophobicContact CB-CD2 4.47Å; N704-L724 WeakPolarHBondContact O-CA 3.46Å; N704-W725 HydrophobicContact CB-CD2 4.4Å; N704-W725 HydrophobicContact CB-CG 4.42Å; N704-W725 HydrophobicContact CB-CZ2 4.08Å; N704-W725 VanDerWaalsContact CG-CE2 3.49Å; N704-W725 PolarHBondContact O-N 3Å; N704-W725 WeakPolarHBondContact OD1-CZ2 3.35Å; N704-W725 PolarHBondContact OD1-NE1 3.14Å; N704-H726 VanDerWaalsContact CB-CE1 3.49Å; N704-H726 WeakPolarHBondContact CB-CE1 3.24Å; N704-H726 WeakPolarHBondContact CB-ND1 3.3Å; N704-H726 PolarHBondContact ND2-CE1 3.38Å; N704-H726 PolarHBondContact ND2-ND1 3.41Å
705	E	92.8	Very high	79.4	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.014	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.4	177.9	-175.3	-177.3	169.5	0	0	111.9	T460 V692 N702 K703 Q707 G723 L724	T460-E705 PolarHBondContact OG1-OE1 2.65Å; V692-E705 HydrophobicContact CB-CB 4.03Å; V692-E705 WeakPolarHBondContact CB-O 3.49Å; V692-E705 HydrophobicContact CG2-CB 4.04Å; V692-E705 HydrophobicContact CG2-CG 3.99Å; V692-E705 PolarHBondContact N-O 3.16Å; N702-E705 WeakPolarHBondContact CB-OE2 3.47Å; N702-E705 VanDerWaalsContact CG-OE2 3.27Å; N702-E705 PolarHBondContact ND2-OE2 2.85Å; N702-E705 WeakPolarHBondContact O-CB 3.15Å; N702-E705 PolarHBondContact O-N 2.72Å; K703-E705 PolarHBondContact O-N 3.22Å; E705-Q707 HydrophobicContact CG-CG 4.35Å; E705-Q707 PolarHBondContact OE1-NE2 3.01Å; E705-G723 WeakPolarHBondContact CA-O 3.47Å; E705-L724 HydrophobicContact CB-CD2 4.38Å
706	V	94.9	Very high	80.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.7	172.1	-177.6	0	0	0	0	109.1	I559 I689 T690 F691 G722 G723 W725 I729	I559-V706 HydrophobicContact CD1-CG1 3.76Å; I559-V706 HydrophobicContact CG1-CG1 4.18Å; I689-V706 HydrophobicContact CG2-CG1 3.33Å; T690-V706 WeakPolarHBondContact O-CA 3.43Å; F691-V706 HydrophobicContact CD1-CG2 3.67Å; F691-V706 HydrophobicContact CE1-CG2 3.8Å; F691-V706 HydrophobicContact CE2-CG1 4.49Å; F691-V706 HydrophobicContact CG-CG2 4.1Å; F691-V706 HydrophobicContact CZ-CG2 4.31Å; V706-G722 CarbonylContact O-C 3.5Å; V706-G722 WeakPolarHBondContact O-CA 3.13Å; V706-G723 PolarHBondContact N-O 3.06Å; V706-G723 PolarHBondContact O-N 3.02Å; V706-W725 HydrophobicContact CG2-CB 3.84Å; V706-W725 HydrophobicContact CG2-CG 4.37Å; V706-I729 HydrophobicContact CB-CD1 4.19Å
707	Q	94.7	Very high	82.7	Confident	55 Å²	55	58.7 Å²	58.7	26%	0.257	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.4	176.4	-61.6	176.1	-3.4	0	0	108.6	H456 I689 T690 V692 E705	H456-Q707 PolarHBondContact ND1-NE2 3.07Å; H456-Q707 VanDerWaalsContact ND1-NE2 3.11Å; I689-Q707 CarbonylContact C-O 3.55Å; I689-Q707 WeakPolarHBondContact CA-O 3.49Å; T690-Q707 PolarHBondContact N-O 3.26Å; T690-Q707 PolarHBondContact O-N 3.28Å; V692-Q707 HydrophobicContact CG2-CG 4.2Å; E705-Q707 HydrophobicContact CG-CG 4.35Å; E705-Q707 PolarHBondContact OE1-NE2 3.01Å
708	G	96.2	Very high	85	Confident	5 Å²	5	52.2 Å²	52.2	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145	-178.1	0	0	0	0	0	113.3	K688 R720 F721	K688-G708 CarbonylContact O-C 3.58Å; K688-G708 VanDerWaalsContact O-CA 3.32Å; K688-G708 WeakPolarHBondContact O-CA 3.49Å; G708-R720 WeakPolarHBondContact O-CA 3.36Å; G708-F721 PolarHBondContact N-O 3.37Å; G708-F721 PolarHBondContact O-N 3.35Å; G708-F721 VanDerWaalsContact O-O 3.13Å
709	T	96.8	Very high	87.3	Confident	31 Å²	31	51 Å²	51	19%	0.19	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.6	174.6	57.8	0	0	0	0	111	C687 K688 V717 H719 R720	C687-T709 VanDerWaalsContact CA-O 3.24Å; C687-T709 WeakPolarHBondContact CA-O 3.28Å; C687-T709 PolarHBondContact SG-O 3.28Å; K688-T709 PolarHBondContact N-O 3.49Å; K688-T709 PolarHBondContact O-N 2.96Å; T709-V717 HydrophobicContact CG2-CG1 4.01Å; T709-H719 CarbonylContact C-O 3.51Å; T709-H719 VanDerWaalsContact CA-O 3.28Å; T709-H719 WeakPolarHBondContact CA-O 3.4Å; T709-R720 HydrophobicContact CG2-CG 4.33Å
710	V	97.1	Very high	89.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.7	164.2	-176.4	0	0	0	0	107.7	Y548 M551 V552 C685 T686 C687 I718 H719 F721	Y548-V710 HydrophobicContact CD1-CG1 4.02Å; M551-V710 HydrophobicContact CB-CG1 4.02Å; M551-V710 HydrophobicContact CB-CG2 4.15Å; M551-V710 HydrophobicContact CG-CG1 3.97Å; M551-V710 HydrophobicContact CG-CG2 3.93Å; V552-V710 HydrophobicContact CG2-CG2 3.74Å; C685-V710 HydrophobicContact CB-CG1 3.91Å; T686-V710 WeakPolarHBondContact O-CA 3.48Å; C687-V710 HydrophobicContact CB-CG2 4.37Å; V710-I718 PolarHBondContact O-N 3.29Å; V710-H719 HydrophobicContact CB-CB 4.04Å; V710-H719 HydrophobicContact CG2-CB 4.1Å; V710-H719 PolarHBondContact N-O 3.2Å; V710-H719 PolarHBondContact O-N 2.94Å; V710-F721 HydrophobicContact CG2-CE1 4.02Å
711	I	96.3	Very high	90.9	Very high	34 Å²	34	46.5 Å²	46.5	17%	0.174	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.3	-169.5	-48.3	-180	0	0	0	108.9	C685 T686 G715 N716	C685-I711 CarbonylContact C-O 3.5Å; C685-I711 WeakPolarHBondContact CA-O 3.42Å; C685-I711 VanDerWaalsContact CB-O 3.27Å; C685-I711 WeakPolarHBondContact CB-O 3.43Å; T686-I711 PolarHBondContact N-O 2.99Å; T686-I711 PolarHBondContact O-N 3.28Å; I711-G715 VanDerWaalsContact CG2-C 3.43Å; I711-N716 CarbonylContact C-O 3.55Å; I711-N716 VanDerWaalsContact CA-O 3.28Å; I711-N716 WeakPolarHBondContact CA-O 3.5Å; I711-N716 WeakPolarHBondContact CG2-O 3.41Å
712	D	95.4	Very high	92.5	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.128	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	179.9	175.9	78.5	-1.9	0	0	0	113.2	Y548 S714 G715 N716 I718	Y548-D712 HydrophobicContact CE1-CB 3.99Å; D712-S714 PolarHBondContact O-N 3.18Å; D712-S714 VanDerWaalsContact OD1-CA 3.3Å; D712-S714 WeakPolarHBondContact OD1-CA 3.37Å; D712-S714 VanDerWaalsContact OD1-CB 3.31Å; D712-S714 WeakPolarHBondContact OD1-CB 3.4Å; D712-S714 PolarHBondContact OD1-N 3.49Å; D712-S714 PolarHBondContact OD2-OG 3.38Å; D712-G715 PolarHBondContact O-N 3.17Å; D712-G715 PolarHBondContact OD1-N 3.41Å; D712-N716 PolarHBondContact N-O 3.24Å; D712-N716 WeakPolarHBondContact OD1-CB 3.32Å; D712-N716 PolarHBondContact OD1-N 3.23Å; D712-N716 PolarHBondContact OD1-ND2 2.81Å; D712-N716 PolarHBondContact OD2-ND2 2.99Å; D712-I718 HydrophobicContact CB-CD1 4.13Å; D712-I718 HydrophobicContact CB-CG1 3.91Å
713	Q	93.7	Very high	93.6	Very high	121 Å²	121	41.5 Å²	41.5	57%	0.565	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.8	174.9	-72.9	178.4	5.8	0	0	114.6	N683	N683-Q713 WeakPolarHBondContact O-CG 3.16Å; N683-Q713 PolarHBondContact OD1-NE2 3.39Å
714	S	93.7	Very high	94.1	Very high	97 Å²	97	37.7 Å²	37.7	68%	0.678	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-11.1	-176.7	-38.1	0	0	0	0	112.7	D712 N716	D712-S714 PolarHBondContact O-N 3.18Å; D712-S714 VanDerWaalsContact OD1-CA 3.3Å; D712-S714 WeakPolarHBondContact OD1-CA 3.37Å; D712-S714 VanDerWaalsContact OD1-CB 3.31Å; D712-S714 WeakPolarHBondContact OD1-CB 3.4Å; D712-S714 PolarHBondContact OD1-N 3.49Å; D712-S714 PolarHBondContact OD2-OG 3.38Å; S714-N716 WeakPolarHBondContact CB-ND2 3.35Å
715	G	92.3	Very high	94.3	Very high	50 Å²	50	36.6 Å²	36.6	52%	0.515	20%	0.204	S	C	.	.	S	Bend	trans	94.1	4.7	-172.5	0	0	0	0	0	114.7	I711 D712	I711-G715 VanDerWaalsContact CG2-C 3.43Å; D712-G715 PolarHBondContact O-N 3.17Å; D712-G715 PolarHBondContact OD1-N 3.41Å
716	N	94.6	Very high	94.2	Very high	90 Å²	90	38 Å²	38	48%	0.481	21%	0.211	S	C	.	.			trans	-75.3	135.8	177.7	-55.9	-54.8	0	0	0	110.8	I711 D712 S714 I718	I711-N716 CarbonylContact C-O 3.55Å; I711-N716 VanDerWaalsContact CA-O 3.28Å; I711-N716 WeakPolarHBondContact CA-O 3.5Å; I711-N716 WeakPolarHBondContact CG2-O 3.41Å; D712-N716 PolarHBondContact N-O 3.24Å; D712-N716 WeakPolarHBondContact OD1-CB 3.32Å; D712-N716 PolarHBondContact OD1-N 3.23Å; D712-N716 PolarHBondContact OD1-ND2 2.81Å; D712-N716 PolarHBondContact OD2-ND2 2.99Å; S714-N716 WeakPolarHBondContact CB-ND2 3.35Å; N716-I718 HydrophobicContact CB-CD1 4.3Å; N716-I718 PolarHBondContact O-N 3.23Å
717	V	94.9	Very high	94	Very high	65 Å²	65	40.1 Å²	40.1	39%	0.394	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	107.8	173.6	179.7	0	0	0	0	109.5	T709 H719 R720	T709-V717 HydrophobicContact CG2-CG1 4.01Å; V717-H719 WeakPolarHBondContact CG1-O 3.35Å; V717-R720 HydrophobicContact CG1-CG 3.65Å
718	I	94.6	Very high	93.8	Very high	63 Å²	63	37.5 Å²	37.5	32%	0.323	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-42.8	179.6	-55.4	-55.1	0	0	0	111.1	Y548 V710 D712 N716	Y548-I718 HydrophobicContact CD1-CB 4.02Å; Y548-I718 HydrophobicContact CD1-CG1 3.9Å; Y548-I718 HydrophobicContact CD1-CG2 3.97Å; Y548-I718 HydrophobicContact CD2-CG2 4.22Å; Y548-I718 HydrophobicContact CE1-CB 4.39Å; Y548-I718 HydrophobicContact CE1-CG1 3.75Å; Y548-I718 HydrophobicContact CG-CB 4.38Å; Y548-I718 HydrophobicContact CG-CG2 3.81Å; V710-I718 PolarHBondContact O-N 3.29Å; D712-I718 HydrophobicContact CB-CD1 4.13Å; D712-I718 HydrophobicContact CB-CG1 3.91Å; N716-I718 HydrophobicContact CB-CD1 4.3Å; N716-I718 PolarHBondContact O-N 3.23Å
719	H	93.5	Very high	93.7	Very high	15 Å²	15	37.2 Å²	37.2	7%	0.069	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.8	173.5	-65.1	-47.5	0	0	0	112.2	V552 T709 V710 V717 T733	V552-H719 HydrophobicContact CG2-CB 3.97Å; T709-H719 CarbonylContact C-O 3.51Å; T709-H719 VanDerWaalsContact CA-O 3.28Å; T709-H719 WeakPolarHBondContact CA-O 3.4Å; V710-H719 HydrophobicContact CB-CB 4.04Å; V710-H719 HydrophobicContact CG2-CB 4.1Å; V710-H719 PolarHBondContact N-O 3.2Å; V710-H719 PolarHBondContact O-N 2.94Å; V717-H719 WeakPolarHBondContact CG1-O 3.35Å; H719-T733 WeakPolarHBondContact CA-OG1 3.19Å; H719-T733 WeakPolarHBondContact CB-OG1 3.38Å; H719-T733 PolarHBondContact ND1-O 3.33Å; H719-T733 PolarHBondContact ND1-OG1 2.98Å
720	R	93.2	Very high	93.5	Very high	102 Å²	102	36.4 Å²	36.4	39%	0.385	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.6	162.2	-62.2	-171.6	174.7	-139.4	5.7	108.5	E451 G708 T709 V717 C731 T733	E451-R720 IonicContact OE1-CZ 2.87Å; E451-R720 VanDerWaalsContact OE1-CZ 3.31Å; E451-R720 IonicContact OE1-NH1 3.33Å; E451-R720 PolarHBondContact OE1-NH1 3.43Å; E451-R720 IonicContact OE1-NH2 2.71Å; E451-R720 PolarHBondContact OE1-NH2 3.29Å; E451-R720 IonicContact OE2-NH1 2.77Å; E451-R720 PolarHBondContact OE2-NH1 3.09Å; G708-R720 WeakPolarHBondContact O-CA 3.36Å; T709-R720 HydrophobicContact CG2-CG 4.33Å; V717-R720 HydrophobicContact CG1-CG 3.65Å; R720-C731 PolarHBondContact O-SG 2.92Å; R720-T733 HydrophobicContact CB-CG2 4.16Å; R720-T733 PolarHBondContact N-OG1 3.08Å; R720-T733 PolarHBondContact O-OG1 3.41Å
721	F	93.6	Very high	93.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	164.7	175.6	62.3	-87.6	0	0	0	110.1	V552 A555 I559 C687 I689 G708 V710 I729 F730 C731	V552-F721 HydrophobicContact CG2-CD1 4.41Å; A555-F721 HydrophobicContact CB-CE1 4.27Å; A555-F721 HydrophobicContact CB-CE2 3.88Å; A555-F721 HydrophobicContact CB-CZ 3.43Å; A555-F721 VanDerWaalsContact CB-CZ 3.43Å; I559-F721 HydrophobicContact CD1-CE2 4.01Å; C687-F721 VanDerWaalsContact SG-CZ 3.57Å; I689-F721 HydrophobicContact CD1-CZ 4.45Å; I689-F721 HydrophobicContact CG1-CZ 4.14Å; G708-F721 PolarHBondContact N-O 3.37Å; G708-F721 PolarHBondContact O-N 3.35Å; G708-F721 VanDerWaalsContact O-O 3.13Å; V710-F721 HydrophobicContact CG2-CE1 4.02Å; F721-I729 HydrophobicContact CD2-CG2 3.85Å; F721-F730 CarbonylContact C-O 3.59Å; F721-F730 VanDerWaalsContact CA-O 3.26Å; F721-F730 WeakPolarHBondContact CA-O 3.15Å; F721-F730 VanDerWaalsContact CB-O 3.32Å; F721-F730 WeakPolarHBondContact CB-O 3.48Å; F721-C731 HydrophobicContact CB-CB 3.92Å
722	G	92.4	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-170.8	177.7	0	0	0	0	0	113.4	Y463 V706 F730	Y463-G722 VanDerWaalsContact CE2-C 3.47Å; Y463-G722 PolarHBondContact OH-N 3.46Å; V706-G722 CarbonylContact O-C 3.5Å; V706-G722 WeakPolarHBondContact O-CA 3.13Å; G722-F730 PolarHBondContact N-O 3.44Å; G722-F730 PolarHBondContact O-N 3.43Å
723	G	92.7	Very high	91.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.7	-137.6	-176.8	0	0	0	0	0	110.4	E705 V706	E705-G723 WeakPolarHBondContact CA-O 3.47Å; V706-G723 PolarHBondContact N-O 3.06Å; V706-G723 PolarHBondContact O-N 3.02Å
724	L	92.5	Very high	90.5	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.9	-175.2	-64.8	163.8	0	0	0	108.1	K703 N704 E705 H726 E727 G728	K703-L724 VanDerWaalsContact O-CD2 3.26Å; K703-L724 WeakPolarHBondContact O-CD2 3.44Å; N704-L724 HydrophobicContact CB-CD2 4.47Å; N704-L724 WeakPolarHBondContact O-CA 3.46Å; E705-L724 HydrophobicContact CB-CD2 4.38Å; L724-H726 PolarHBondContact O-N 3.34Å; L724-E727 HydrophobicContact CB-CB 4.06Å; L724-E727 HydrophobicContact CB-CG 4.2Å; L724-E727 HydrophobicContact CD1-CB 4.32Å; L724-E727 VanDerWaalsContact CD1-CD 3.44Å; L724-E727 HydrophobicContact CD1-CG 4.01Å; L724-E727 WeakPolarHBondContact CD1-OE2 3.48Å; L724-E727 PolarHBondContact O-N 3.48Å; L724-G728 PolarHBondContact N-O 3.39Å; L724-G728 PolarHBondContact O-N 3.38Å; L724-G728 VanDerWaalsContact O-O 3.1Å
725	W	93.8	Very high	89.1	Confident	3 Å²	3	35.6 Å²	35.6	1%	0.011	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.2	-175.6	62.4	-104.3	0	0	0	114.5	I559 Y562 A565 M566 H671 F691 N704 V706 W741	I559-W725 HydrophobicContact CG2-CB 4.03Å; Y562-W725 WeakPolarHBondContact O-CZ3 3.33Å; A565-W725 HydrophobicContact CB-CH2 4.15Å; A565-W725 HydrophobicContact CB-CZ3 4.01Å; M566-W725 HydrophobicContact CB-CH2 4.38Å; M566-W725 HydrophobicContact CB-CZ3 4.12Å; H671-W725 AromaticContact CD2-CD2 3.9Å; H671-W725 AromaticContact CD2-CE2 3.58Å; H671-W725 AromaticContact CD2-CH2 3.94Å; H671-W725 AromaticContact CD2-CZ2 3.63Å; H671-W725 AromaticContact CD2-NE1 3.97Å; F691-W725 HydrophobicContact CE1-CB 4.08Å; F691-W725 HydrophobicContact CE1-CG 4.29Å; N704-W725 HydrophobicContact CB-CD2 4.4Å; N704-W725 HydrophobicContact CB-CG 4.42Å; N704-W725 HydrophobicContact CB-CZ2 4.08Å; N704-W725 VanDerWaalsContact CG-CE2 3.49Å; N704-W725 PolarHBondContact O-N 3Å; N704-W725 WeakPolarHBondContact OD1-CZ2 3.35Å; N704-W725 PolarHBondContact OD1-NE1 3.14Å; V706-W725 HydrophobicContact CG2-CB 3.84Å; V706-W725 HydrophobicContact CG2-CG 4.37Å; W725-W741 WeakPolarHBondContact O-CH2 3.28Å
726	H	90.7	Very high	87.8	Confident	33 Å²	33	38 Å²	38	15%	0.153	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-2.5	180	73.4	-69.8	0	0	0	114.3	M566 N704 L724	M566-H726 HydrophobicContact CB-CB 4.19Å; M566-H726 HydrophobicContact CG-CB 4.27Å; M566-H726 HydrophobicContact SD-CB 3.78Å; N704-H726 VanDerWaalsContact CB-CE1 3.49Å; N704-H726 WeakPolarHBondContact CB-CE1 3.24Å; N704-H726 WeakPolarHBondContact CB-ND1 3.3Å; N704-H726 PolarHBondContact ND2-CE1 3.38Å; N704-H726 PolarHBondContact ND2-ND1 3.41Å; L724-H726 PolarHBondContact O-N 3.34Å
727	E	90.6	Very high	86.6	Confident	44 Å²	44	37.7 Å²	37.7	21%	0.206	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-28.1	175.7	-57.1	-173.9	-170.5	0	0	113.3	R464 I467 L724 K742 P743	R464-E727 IonicContact CZ-OE1 3.41Å; R464-E727 IonicContact CZ-OE2 3.88Å; R464-E727 VanDerWaalsContact CZ-OE2 3.25Å; R464-E727 IonicContact NE-OE2 3.65Å; R464-E727 IonicContact NH1-OE1 2.66Å; R464-E727 PolarHBondContact NH1-OE1 3.39Å; R464-E727 IonicContact NH1-OE2 2.8Å; R464-E727 PolarHBondContact NH1-OE2 3.21Å; R464-E727 IonicContact NH2-OE1 3.62Å; R464-E727 PolarHBondContact NH2-OE1 3.18Å; R464-E727 IonicContact NH2-OE2 3.3Å; R464-E727 PolarHBondContact NH2-OE2 3.44Å; I467-E727 WeakPolarHBondContact CG2-O 3.22Å; L724-E727 HydrophobicContact CB-CB 4.06Å; L724-E727 HydrophobicContact CB-CG 4.2Å; L724-E727 HydrophobicContact CD1-CB 4.32Å; L724-E727 VanDerWaalsContact CD1-CD 3.44Å; L724-E727 HydrophobicContact CD1-CG 4.01Å; L724-E727 WeakPolarHBondContact CD1-OE2 3.48Å; L724-E727 PolarHBondContact O-N 3.48Å; E727-K742 WeakPolarHBondContact O-CG 3.32Å; E727-P743 WeakPolarHBondContact O-CD 3.25Å
728	G	92.1	Very high	85.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.6	169.9	179	0	0	0	0	0	113.6	I467 L724 W741	I467-G728 WeakPolarHBondContact CD1-O 3.29Å; L724-G728 PolarHBondContact N-O 3.39Å; L724-G728 PolarHBondContact O-N 3.38Å; L724-G728 VanDerWaalsContact O-O 3.1Å; G728-W741 CarbonylContact C-O 3.54Å; G728-W741 WeakPolarHBondContact CA-O 3.21Å
729	I	94.2	Very high	85.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.4	179.9	-64.3	-64.3	0	0	0	110	I559 V706 F721 C739 I740 W741	I559-I729 HydrophobicContact CD1-CD1 3.99Å; I559-I729 HydrophobicContact CD1-CG1 4.01Å; I559-I729 HydrophobicContact CG2-CD1 4.15Å; I559-I729 HydrophobicContact CG2-CG1 3.98Å; V706-I729 HydrophobicContact CB-CD1 4.19Å; F721-I729 HydrophobicContact CD2-CG2 3.85Å; I729-C739 CarbonylContact O-C 3.54Å; I729-I740 PolarHBondContact O-N 3.32Å; I729-W741 HydrophobicContact CB-CE3 4.3Å; I729-W741 HydrophobicContact CG1-CE3 3.9Å; I729-W741 HydrophobicContact CG1-CZ3 4.19Å; I729-W741 PolarHBondContact N-O 3.16Å; I729-W741 PolarHBondContact O-N 3.5Å
730	F	91.4	Very high	85.6	Confident	13 Å²	13	37.3 Å²	37.3	6%	0.057	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.7	-177.4	-176.3	-95.2	0	0	0	110	Y463 S466 F721 G722 D732 P737 K738 C739	Y463-F730 HydrophobicContact CD1-CB 3.92Å; Y463-F730 AromaticContact CD1-CD1 3.68Å; Y463-F730 HydrophobicContact CD1-CD1 3.68Å; Y463-F730 HydrophobicContact CD1-CG 4.18Å; Y463-F730 AromaticContact CE1-CD1 4Å; Y463-F730 HydrophobicContact CE1-CD1 4Å; S466-F730 VanDerWaalsContact OG-CE2 3.27Å; S466-F730 WeakPolarHBondContact OG-CE2 3.24Å; S466-F730 WeakPolarHBondContact OG-CZ 3.4Å; F721-F730 CarbonylContact C-O 3.59Å; F721-F730 VanDerWaalsContact CA-O 3.26Å; F721-F730 WeakPolarHBondContact CA-O 3.15Å; F721-F730 VanDerWaalsContact CB-O 3.32Å; F721-F730 WeakPolarHBondContact CB-O 3.48Å; G722-F730 PolarHBondContact N-O 3.44Å; G722-F730 PolarHBondContact O-N 3.43Å; F730-D732 HydrophobicContact CD1-CB 4.23Å; F730-D732 HydrophobicContact CE1-CB 3.78Å; F730-P737 HydrophobicContact CE1-CB 4.08Å; F730-P737 HydrophobicContact CE2-CB 4.45Å; F730-P737 VanDerWaalsContact CZ-C 3.47Å; F730-P737 HydrophobicContact CZ-CB 3.53Å; F730-K738 WeakPolarHBondContact CA-O 3.49Å; F730-K738 WeakPolarHBondContact CD2-O 3.14Å; F730-C739 HydrophobicContact CD2-CB 4.41Å
731	C	88.6	Confident	85.6	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119	170.3	-167.3	0	0	0	0	108.4	V552 R720 F721 T733 L734 P737 K738 I740	V552-C731 HydrophobicContact CG1-CB 4.19Å; R720-C731 PolarHBondContact O-SG 2.92Å; F721-C731 HydrophobicContact CB-CB 3.92Å; C731-T733 PolarHBondContact SG-OG1 3.45Å; C731-T733 VanDerWaalsContact SG-OG1 3.33Å; C731-L734 HydrophobicContact CB-CD1 4.24Å; C731-L734 HydrophobicContact CB-CG 3.97Å; C731-P737 WeakPolarHBondContact O-CA 3.24Å; C731-K738 PolarHBondContact N-O 3.25Å; C731-K738 PolarHBondContact O-N 3.45Å; C731-I740 HydrophobicContact CB-CD1 3.77Å; C731-I740 HydrophobicContact CB-CG1 3.76Å
732	D	76.8	Confident	85.6	Confident	66 Å²	66	35.7 Å²	35.7	35%	0.353	20%	0.197	S	C	.	.	S	Bend	trans	-87.4	-19	179.3	65	-22.8	0	0	0	112.9	F730	F730-D732 HydrophobicContact CD1-CB 4.23Å; F730-D732 HydrophobicContact CE1-CB 3.78Å
733	T	79.3	Confident	85.6	Confident	55 Å²	55	37 Å²	37	34%	0.337	21%	0.206	S	C	.	.	S	Bend	trans	-93.4	5.6	-178	49.6	0	0	0	0	114.7	H719 R720 C731	H719-T733 WeakPolarHBondContact CA-OG1 3.19Å; H719-T733 WeakPolarHBondContact CB-OG1 3.38Å; H719-T733 PolarHBondContact ND1-O 3.33Å; H719-T733 PolarHBondContact ND1-OG1 2.98Å; R720-T733 HydrophobicContact CB-CG2 4.16Å; R720-T733 PolarHBondContact N-OG1 3.08Å; R720-T733 PolarHBondContact O-OG1 3.41Å; C731-T733 PolarHBondContact SG-OG1 3.45Å; C731-T733 VanDerWaalsContact SG-OG1 3.33Å
734	L	75.4	Confident	85.5	Confident	12 Å²	12	38.5 Å²	38.5	6%	0.063	21%	0.213	C	C	.	.	S	Bend	trans	-79.2	154.3	167.7	-70.6	-172.2	0	0	0	111.2	Q549 C731 T736 I740	Q549-L734 HydrophobicContact CB-CD2 4.4Å; Q549-L734 HydrophobicContact CG-CD2 3.92Å; C731-L734 HydrophobicContact CB-CD1 4.24Å; C731-L734 HydrophobicContact CB-CG 3.97Å; L734-T736 WeakPolarHBondContact CB-O 3.41Å; L734-T736 CarbonylContact O-C 3.53Å; L734-T736 PolarHBondContact O-N 3.33Å; L734-I740 HydrophobicContact CD1-CD1 3.54Å
735	P	63.4	Low	85.4	Confident	126 Å²	126	41.5 Å²	41.5	82%	0.818	23%	0.233	S	C	*	.	S	Bend	trans	-54.5	-23.3	178.3	-27.8	35.4	0	0	0	115
736	T	64.8	Low	85.2	Confident	100 Å²	100	43.5 Å²	43.5	61%	0.613	24%	0.243	S	C	*	.	S	Bend	trans	-122.6	117	158.3	48.2	0	0	0	0	108.3	L734 K738	L734-T736 WeakPolarHBondContact CB-O 3.41Å; L734-T736 CarbonylContact O-C 3.53Å; L734-T736 PolarHBondContact O-N 3.33Å; T736-K738 VanDerWaalsContact O-CB 3.27Å; T736-K738 WeakPolarHBondContact O-CB 3.42Å; T736-K738 PolarHBondContact O-N 3.08Å; T736-K738 VanDerWaalsContact O-N 3.1Å
737	P	69.4	Low	85.2	Confident	85 Å²	85	42.9 Å²	42.9	55%	0.552	24%	0.242	S	C	*	.			trans	-58.1	113.7	176.1	-29.2	37.2	0	0	0	110.8	F730 C731	F730-P737 HydrophobicContact CE1-CB 4.08Å; F730-P737 HydrophobicContact CE2-CB 4.45Å; F730-P737 VanDerWaalsContact CZ-C 3.47Å; F730-P737 HydrophobicContact CZ-CB 3.53Å; C731-P737 WeakPolarHBondContact O-CA 3.24Å
738	K	81.9	Confident	85.2	Confident	103 Å²	103	49.6 Å²	49.6	45%	0.448	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.2	-159.6	178.1	172.2	176	-178.2	0	112.9	F730 C731 T736 I740	F730-K738 WeakPolarHBondContact CA-O 3.49Å; F730-K738 WeakPolarHBondContact CD2-O 3.14Å; C731-K738 PolarHBondContact N-O 3.25Å; C731-K738 PolarHBondContact O-N 3.45Å; T736-K738 VanDerWaalsContact O-CB 3.27Å; T736-K738 WeakPolarHBondContact O-CB 3.42Å; T736-K738 PolarHBondContact O-N 3.08Å; T736-K738 VanDerWaalsContact O-N 3.1Å; K738-I740 HydrophobicContact CB-CD1 4.41Å; K738-I740 HydrophobicContact CG-CD1 4.48Å; K738-I740 WeakPolarHBondContact O-CD1 3.27Å; K738-I740 PolarHBondContact O-N 3.45Å
739	C	88.8	Confident	85.1	Confident	16 Å²	16	54.5 Å²	54.5	11%	0.108	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	113	164.4	-174.9	0	0	0	0	108.6	T470 I729 F730 W741	T470-C739 HydrophobicContact CG2-CB 3.95Å; T470-C739 WeakPolarHBondContact OG1-CB 3.37Å; I729-C739 CarbonylContact O-C 3.54Å; F730-C739 HydrophobicContact CD2-CB 4.41Å; C739-W741 PolarHBondContact SG-O 3.42Å
740	I	91.5	Very high	85	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.077	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-39.5	-174.7	-52.8	-54.5	0	0	0	110.4	V552 Y553 A556 I729 C731 L734 K738	V552-I740 HydrophobicContact CG1-CD1 4.35Å; V552-I740 HydrophobicContact CG1-CG1 4.06Å; V552-I740 HydrophobicContact CG1-CG2 4.32Å; Y553-I740 HydrophobicContact CD1-CG2 3.71Å; Y553-I740 HydrophobicContact CE1-CG2 3.75Å; A556-I740 HydrophobicContact CB-CB 4.39Å; A556-I740 HydrophobicContact CB-CG2 3.59Å; I729-I740 PolarHBondContact O-N 3.32Å; C731-I740 HydrophobicContact CB-CD1 3.77Å; C731-I740 HydrophobicContact CB-CG1 3.76Å; L734-I740 HydrophobicContact CD1-CD1 3.54Å; K738-I740 HydrophobicContact CB-CD1 4.41Å; K738-I740 HydrophobicContact CG-CD1 4.48Å; K738-I740 WeakPolarHBondContact O-CD1 3.27Å; K738-I740 PolarHBondContact O-N 3.45Å
741	W	94.3	Very high	85.1	Confident	11 Å²	11	62.1 Å²	62.1	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	148.6	-179.4	165.2	79.2	0	0	0	110.4	Y534 L537 A556 I559 S560 W725 G728 I729 C739 P743	Y534-W741 AromaticContact CD1-CD1 3.59Å; Y534-W741 AromaticContact CD1-NE1 3.03Å; Y534-W741 AromaticContact CD2-NE1 3.7Å; Y534-W741 AromaticContact CE1-NE1 3.29Å; Y534-W741 VanDerWaalsContact CE1-NE1 3.29Å; Y534-W741 HydrophobicContact CE2-CZ2 4.27Å; Y534-W741 AromaticContact CE2-NE1 3.97Å; Y534-W741 AromaticContact CG-CD1 3.89Å; Y534-W741 AromaticContact CG-NE1 3.24Å; Y534-W741 AromaticContact CZ-NE1 3.79Å; L537-W741 HydrophobicContact CD1-CB 4.06Å; L537-W741 HydrophobicContact CD1-CG 4.01Å; L537-W741 HydrophobicContact CD2-CB 4.21Å; A556-W741 HydrophobicContact CB-CB 4.16Å; I559-W741 HydrophobicContact CG2-CZ3 4.35Å; S560-W741 VanDerWaalsContact CB-CE2 3.49Å; W725-W741 WeakPolarHBondContact O-CH2 3.28Å; G728-W741 CarbonylContact C-O 3.54Å; G728-W741 WeakPolarHBondContact CA-O 3.21Å; I729-W741 HydrophobicContact CB-CE3 4.3Å; I729-W741 HydrophobicContact CG1-CE3 3.9Å; I729-W741 HydrophobicContact CG1-CZ3 4.19Å; I729-W741 PolarHBondContact N-O 3.16Å; I729-W741 PolarHBondContact O-N 3.5Å; C739-W741 PolarHBondContact SG-O 3.42Å; W741-P743 HydrophobicContact CH2-CG 3.65Å; W741-P743 HydrophobicContact CZ2-CB 4.27Å; W741-P743 HydrophobicContact CZ2-CG 3.72Å; W741-P743 HydrophobicContact CZ3-CG 4.4Å
742	K	92.9	Very high	85.3	Confident	59 Å²	59	66.3 Å²	66.3	26%	0.257	36%	0.355	S	S	.	.			trans	-144.2	137.1	176.4	-167.6	175.4	-169.4	178.2	0	107.6	I467 T470 N472 E727	I467-K742 PolarHBondContact O-NZ 3.09Å; T470-K742 PolarHBondContact O-NZ 3.38Å; N472-K742 WeakPolarHBondContact OD1-CE 3.5Å; N472-K742 PolarHBondContact OD1-NZ 2.9Å; E727-K742 WeakPolarHBondContact O-CG 3.32Å
743	P	92.6	Very high	86.2	Confident	27 Å²	27	64.7 Å²	64.7	18%	0.175	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-57.1	148.1	175.1	-23.4	31.7	0	0	0	112.5	E727 W741	E727-P743 WeakPolarHBondContact O-CD 3.25Å; W741-P743 HydrophobicContact CH2-CG 3.65Å; W741-P743 HydrophobicContact CZ2-CB 4.27Å; W741-P743 HydrophobicContact CZ2-CG 3.72Å; W741-P743 HydrophobicContact CZ3-CG 4.4Å
744	N	91.6	Very high	87	Confident	33 Å²	33	62.3 Å²	62.3	18%	0.176	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.7	170.1	-69.7	-49.6	0	0	0	110.1	E533 Y534 Q746	E533-N744 PolarHBondContact OE1-ND2 2.77Å; Y534-N744 HydrophobicContact CE1-CB 4.43Å; Y534-N744 WeakPolarHBondContact CE1-ND2 3.38Å; Y534-N744 PolarHBondContact OH-N 2.6Å; Y534-N744 PolarHBondContact OH-ND2 2.85Å; N744-Q746 PolarHBondContact O-N 3.21Å
745	P	89.8	Confident	87.9	Confident	70 Å²	70	61.9 Å²	61.9	46%	0.455	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-54.4	134	169.3	-23.2	33.7	0	0	0	110.3
746	Q	89.9	Confident	89.4	Confident	45 Å²	45	55.9 Å²	55.9	21%	0.21	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.5	147.5	175.9	-71.1	-58.4	-67.8	0	0	111	F567 N744 Y750 F756	F567-Q746 HydrophobicContact CD1-CG 4.32Å; F567-Q746 VanDerWaalsContact CD2-CD 3.46Å; F567-Q746 HydrophobicContact CD2-CG 3.84Å; F567-Q746 HydrophobicContact CE1-CG 3.93Å; F567-Q746 VanDerWaalsContact CE2-CD 3.4Å; F567-Q746 HydrophobicContact CE2-CG 3.43Å; F567-Q746 VanDerWaalsContact CE2-CG 3.43Å; F567-Q746 HydrophobicContact CG-CG 4.27Å; F567-Q746 HydrophobicContact CZ-CG 3.47Å; F567-Q746 VanDerWaalsContact CZ-CG 3.47Å; N744-Q746 PolarHBondContact O-N 3.21Å; Q746-Y750 HydrophobicContact CB-CD1 3.87Å; Q746-Y750 HydrophobicContact CB-CD2 4.18Å; Q746-Y750 HydrophobicContact CB-CE1 4.3Å; Q746-Y750 HydrophobicContact CB-CG 3.82Å; Q746-Y750 HydrophobicContact CG-CD2 4.13Å; Q746-Y750 HydrophobicContact CG-CE2 4.37Å; Q746-Y750 HydrophobicContact CG-CG 4.28Å; Q746-F756 PolarHBondContact OE1-O 3.08Å
747	P	90.9	Very high	90.9	Very high	21 Å²	21	51.3 Å²	51.3	14%	0.136	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-53.2	158.5	171.3	-24.2	32	0	0	0	112.6	Y750 M761	P747-Y750 WeakPolarHBondContact O-CD1 3.4Å; P747-M761 HydrophobicContact CB-CE 3.8Å; P747-M761 HydrophobicContact CG-CE 3.47Å; P747-M761 VanDerWaalsContact CG-CE 3.47Å
748	K	88.7	Confident	92.1	Very high	185 Å²	185	50.1 Å²	50.1	80%	0.804	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	142.5	158.1	-67.9	-173.5	178.9	-176.7	0	108.6	Y750	K748-Y750 PolarHBondContact O-N 3.44Å
749	D	91.6	Very high	92.7	Very high	102 Å²	102	45.5 Å²	45.5	55%	0.545	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	20.3	174.8	-44	-46	0	0	0	115.2	L751 L752 Y753	D749-L751 PolarHBondContact O-N 3.29Å; D749-L752 HydrophobicContact CB-CD1 4.06Å; D749-L752 HydrophobicContact CB-CG 4.24Å; D749-L752 WeakPolarHBondContact O-CA 3.19Å; D749-L752 WeakPolarHBondContact O-CB 3.32Å; D749-L752 PolarHBondContact O-N 3.05Å; D749-Y753 HydrophobicContact CB-CE2 4.3Å; D749-Y753 PolarHBondContact O-N 3.36Å
750	Y	92.5	Very high	93.1	Very high	64 Å²	64	44.7 Å²	44.7	25%	0.251	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-30.2	178.7	74.8	-77.8	0	0	0	113.8	F567 Q746 P747 K748 Y753 G755	F567-Y750 HydrophobicContact CB-CD2 4.39Å; F567-Y750 HydrophobicContact CB-CE2 4.22Å; F567-Y750 HydrophobicContact CD1-CD2 4.26Å; F567-Y750 AromaticContact CD1-CE2 3.48Å; F567-Y750 HydrophobicContact CD1-CE2 3.48Å; F567-Y750 VanDerWaalsContact CD1-CE2 3.48Å; F567-Y750 HydrophobicContact CE1-CE2 4.09Å; F567-Y750 HydrophobicContact CG-CD2 4.35Å; F567-Y750 AromaticContact CG-CE2 3.99Å; F567-Y750 HydrophobicContact CG-CE2 3.99Å; Q746-Y750 HydrophobicContact CB-CD1 3.87Å; Q746-Y750 HydrophobicContact CB-CD2 4.18Å; Q746-Y750 HydrophobicContact CB-CE1 4.3Å; Q746-Y750 HydrophobicContact CB-CG 3.82Å; Q746-Y750 HydrophobicContact CG-CD2 4.13Å; Q746-Y750 HydrophobicContact CG-CE2 4.37Å; Q746-Y750 HydrophobicContact CG-CG 4.28Å; P747-Y750 WeakPolarHBondContact O-CD1 3.4Å; K748-Y750 PolarHBondContact O-N 3.44Å; Y750-Y753 CarbonylContact O-C 3.51Å; Y750-Y753 VanDerWaalsContact O-C 3.24Å; Y750-Y753 PolarHBondContact O-N 3.04Å; Y750-Y753 VanDerWaalsContact O-N 3.13Å; Y750-G755 VanDerWaalsContact O-CA 3.29Å; Y750-G755 WeakPolarHBondContact O-CA 3.34Å; Y750-G755 PolarHBondContact O-N 2.99Å
751	L	91.6	Very high	93.3	Very high	110 Å²	110	44.1 Å²	44.1	58%	0.576	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31	174.5	-67	176.3	0	0	0	113.5	D749 Y753	D749-L751 PolarHBondContact O-N 3.29Å; L751-Y753 VanDerWaalsContact C-N 3.28Å
752	L	94.2	Very high	93.4	Very high	87 Å²	87	44.3 Å²	44.3	46%	0.455	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.4	171.4	-58.2	-172.9	0	0	0	111.2	P488 C489 D749	P488-L752 CarbonylContact C-O 3.34Å; P488-L752 WeakPolarHBondContact CA-O 3.49Å; P488-L752 HydrophobicContact CB-CB 4.33Å; C489-L752 PolarHBondContact N-O 2.87Å; C489-L752 PolarHBondContact SG-O 2.94Å; C489-L752 VanDerWaalsContact SG-O 3.38Å; D749-L752 HydrophobicContact CB-CD1 4.06Å; D749-L752 HydrophobicContact CB-CG 4.24Å; D749-L752 WeakPolarHBondContact O-CA 3.19Å; D749-L752 WeakPolarHBondContact O-CB 3.32Å; D749-L752 PolarHBondContact O-N 3.05Å
753	Y	95.8	Very high	93.7	Very high	33 Å²	33	41.5 Å²	41.5	13%	0.129	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	54.3	-179.4	-55.3	-57.8	0	0	0	111.5	T484 L485 D749 Y750 L751 G755 F756 M761	T484-Y753 HydrophobicContact CG2-CE2 3.8Å; L485-Y753 HydrophobicContact CB-CD1 3.63Å; L485-Y753 HydrophobicContact CB-CE1 4.02Å; L485-Y753 HydrophobicContact CB-CG 4.45Å; L485-Y753 HydrophobicContact CD1-CD1 4.08Å; L485-Y753 HydrophobicContact CD1-CG 4.44Å; L485-Y753 HydrophobicContact CG-CD1 3.81Å; L485-Y753 HydrophobicContact CG-CG 4.19Å; D749-Y753 HydrophobicContact CB-CE2 4.3Å; D749-Y753 PolarHBondContact O-N 3.36Å; Y750-Y753 CarbonylContact O-C 3.51Å; Y750-Y753 VanDerWaalsContact O-C 3.24Å; Y750-Y753 PolarHBondContact O-N 3.04Å; Y750-Y753 VanDerWaalsContact O-N 3.13Å; L751-Y753 VanDerWaalsContact C-N 3.28Å; Y753-G755 PolarHBondContact O-N 3.06Å; Y753-F756 VanDerWaalsContact O-CB 3.31Å; Y753-F756 WeakPolarHBondContact O-CB 3.34Å; Y753-F756 WeakPolarHBondContact O-CD1 3.36Å; Y753-F756 VanDerWaalsContact O-CG 3.28Å; Y753-F756 WeakPolarHBondContact O-CG 3.37Å; Y753-F756 PolarHBondContact O-N 3.41Å; Y753-M761 HydrophobicContact CD2-SD 4.23Å; Y753-M761 HydrophobicContact CG-SD 4.36Å
754	Y	94.8	Very high	93.9	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.016	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	9.8	171.5	-57.5	-97.9	0	0	0	116.2	L485 C489 P490 E520 P521 Y571 F756	L485-Y754 HydrophobicContact CD1-CD2 3.79Å; L485-Y754 HydrophobicContact CD1-CE2 4Å; C489-Y754 VanDerWaalsContact CA-CZ 3.49Å; C489-Y754 HydrophobicContact CB-CD1 3.53Å; C489-Y754 HydrophobicContact CB-CD2 3.75Å; C489-Y754 HydrophobicContact CB-CE1 3.46Å; C489-Y754 VanDerWaalsContact CB-CE1 3.46Å; C489-Y754 HydrophobicContact CB-CE2 3.66Å; C489-Y754 HydrophobicContact CB-CG 3.68Å; P490-Y754 WeakPolarHBondContact CD-OH 3.34Å; E520-Y754 HydrophobicContact CB-CD1 3.83Å; E520-Y754 HydrophobicContact CB-CE1 4.47Å; E520-Y754 HydrophobicContact CB-CG 4.23Å; P521-Y754 VanDerWaalsContact CD-CZ 3.43Å; P521-Y754 HydrophobicContact CG-CD2 3.9Å; P521-Y754 HydrophobicContact CG-CE2 3.63Å; Y571-Y754 AromaticContact CD1-CD1 3.89Å; Y571-Y754 HydrophobicContact CD1-CD1 3.89Å; Y571-Y754 HydrophobicContact CD1-CE1 4.18Å; Y571-Y754 AromaticContact CD2-CD1 3.69Å; Y571-Y754 HydrophobicContact CD2-CD1 3.69Å; Y571-Y754 HydrophobicContact CD2-CG 4.35Å; Y571-Y754 AromaticContact CE1-CD1 3.94Å; Y571-Y754 HydrophobicContact CE1-CD1 3.94Å; Y571-Y754 HydrophobicContact CE1-CE1 4.07Å; Y571-Y754 AromaticContact CE2-CD1 3.76Å; Y571-Y754 HydrophobicContact CE2-CD1 3.76Å; Y571-Y754 HydrophobicContact CE2-CG 4.36Å; Y571-Y754 AromaticContact CG-CD1 3.78Å; Y571-Y754 HydrophobicContact CG-CD1 3.78Å; Y571-Y754 HydrophobicContact CG-CE1 4.5Å; Y571-Y754 AromaticContact CZ-CD1 3.89Å; Y754-F756 VanDerWaalsContact CB-CE1 3.44Å; Y754-F756 HydrophobicContact CG-CE1 4.28Å; Y754-F756 HydrophobicContact CG-CZ 4.5Å
755	G	94.3	Very high	94.2	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	24.7	-172.5	0	0	0	0	0	114	F567 R568 Y750 Y753	F567-G755 WeakPolarHBondContact CB-O 3.49Å; R568-G755 WeakPolarHBondContact CD-O 3.47Å; R568-G755 WeakPolarHBondContact CG-O 3.49Å; Y750-G755 VanDerWaalsContact O-CA 3.29Å; Y750-G755 WeakPolarHBondContact O-CA 3.34Å; Y750-G755 PolarHBondContact O-N 2.99Å; Y753-G755 PolarHBondContact O-N 3.06Å
756	F	96.5	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.			trans	-77.5	138.5	-175.8	-72.9	12.2	0	0	0	112.8	L485 E520 P521 V522 R568 Q746 Y753 Y754 A760 M761	L485-F756 HydrophobicContact CD1-CD2 4.21Å; L485-F756 HydrophobicContact CD1-CE2 4.12Å; E520-F756 HydrophobicContact CB-CE1 4.05Å; E520-F756 HydrophobicContact CB-CZ 4.17Å; P521-F756 HydrophobicContact CG-CE2 4.08Å; P521-F756 HydrophobicContact CG-CZ 3.96Å; V522-F756 HydrophobicContact CG1-CE2 4Å; V522-F756 HydrophobicContact CG1-CZ 4Å; V522-F756 HydrophobicContact CG2-CZ 4.12Å; R568-F756 VanDerWaalsContact CZ-CE1 3.46Å; Q746-F756 PolarHBondContact OE1-O 3.08Å; Y753-F756 VanDerWaalsContact O-CB 3.31Å; Y753-F756 WeakPolarHBondContact O-CB 3.34Å; Y753-F756 WeakPolarHBondContact O-CD1 3.36Å; Y753-F756 VanDerWaalsContact O-CG 3.28Å; Y753-F756 WeakPolarHBondContact O-CG 3.37Å; Y753-F756 PolarHBondContact O-N 3.41Å; Y754-F756 VanDerWaalsContact CB-CE1 3.44Å; Y754-F756 HydrophobicContact CG-CE1 4.28Å; Y754-F756 HydrophobicContact CG-CZ 4.5Å; F756-A760 HydrophobicContact CB-CB 3.91Å; F756-A760 HydrophobicContact CD2-CB 4.22Å; F756-A760 HydrophobicContact CG-CB 4Å; F756-M761 HydrophobicContact CB-CG 3.65Å; F756-M761 HydrophobicContact CD2-CG 4.03Å; F756-M761 HydrophobicContact CG-CG 4.38Å
757	S	95	Very high	94.8	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.028	20%	0.202	C	C	.	.			trans	-68.1	166.1	161.1	65.7	0	0	0	0	110.8	E533 F759 A760 M761	E533-S757 VanDerWaalsContact OE2-CB 3.24Å; E533-S757 WeakPolarHBondContact OE2-CB 3.07Å; E533-S757 PolarHBondContact OE2-OG 3.42Å; S757-F759 PolarHBondContact O-N 2.77Å; S757-A760 PolarHBondContact O-N 3.07Å; S757-A760 VanDerWaalsContact O-N 3.16Å; S757-A760 PolarHBondContact OG-N 3.28Å; S757-A760 VanDerWaalsContact OG-N 3.14Å; S757-M761 PolarHBondContact O-N 2.69Å
758	S	94.2	Very high	94.9	Very high	60 Å²	60	43.8 Å²	43.8	42%	0.42	23%	0.23	S	C	.	.	H	α-helix	trans	-52.1	-45	171.6	-50.8	0	0	0	0	111.5	A760 M761 E762	S758-A760 PolarHBondContact O-N 3.43Å; S758-M761 PolarHBondContact O-N 2.95Å; S758-E762 VanDerWaalsContact O-CG 3.31Å; S758-E762 WeakPolarHBondContact O-CG 3.15Å; S758-E762 PolarHBondContact O-N 3.35Å; S758-E762 VanDerWaalsContact O-N 3.1Å
759	F	95.6	Very high	95.2	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-43.9	179.1	-171.8	-86.4	0	0	0	112.1	C529 E533 R586 F591 S757 M761 E762 L763	C529-F759 VanDerWaalsContact O-CE1 3.26Å; C529-F759 WeakPolarHBondContact O-CE1 3.43Å; E533-F759 HydrophobicContact CB-CB 4.22Å; E533-F759 HydrophobicContact CB-CD1 4.06Å; E533-F759 HydrophobicContact CB-CD2 4.38Å; E533-F759 HydrophobicContact CB-CG 3.97Å; E533-F759 HydrophobicContact CG-CB 3.71Å; E533-F759 HydrophobicContact CG-CD1 4.49Å; E533-F759 HydrophobicContact CG-CD2 4.41Å; E533-F759 HydrophobicContact CG-CG 3.98Å; R586-F759 HydrophobicContact CG-CE2 4.44Å; F591-F759 HydrophobicContact CZ-CE2 4.36Å; F591-F759 HydrophobicContact CZ-CZ 4.18Å; S757-F759 PolarHBondContact O-N 2.77Å; F759-M761 PolarHBondContact O-N 3.38Å; F759-E762 WeakPolarHBondContact O-CB 3.44Å; F759-E762 PolarHBondContact O-N 3.1Å; F759-E762 VanDerWaalsContact O-N 3.15Å; F759-L763 HydrophobicContact CD1-CD2 4.26Å; F759-L763 HydrophobicContact CD1-CG 4.44Å; F759-L763 HydrophobicContact CE1-CD1 4.46Å; F759-L763 HydrophobicContact CE1-CD2 3.77Å; F759-L763 HydrophobicContact CE1-CG 4.37Å; F759-L763 HydrophobicContact CZ-CD2 4.32Å; F759-L763 WeakPolarHBondContact O-CG 3.41Å; F759-L763 PolarHBondContact O-N 2.89Å
760	A	96.8	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-36	176.7	0	0	0	0	0	112.8	F756 S757 S758 E762 L763	F756-A760 HydrophobicContact CB-CB 3.91Å; F756-A760 HydrophobicContact CD2-CB 4.22Å; F756-A760 HydrophobicContact CG-CB 4Å; S757-A760 PolarHBondContact O-N 3.07Å; S757-A760 VanDerWaalsContact O-N 3.16Å; S757-A760 PolarHBondContact OG-N 3.28Å; S757-A760 VanDerWaalsContact OG-N 3.14Å; S758-A760 PolarHBondContact O-N 3.43Å; A760-E762 VanDerWaalsContact C-N 3.3Å; A760-E762 PolarHBondContact O-N 3.32Å; A760-L763 PolarHBondContact O-N 2.9Å
761	M	96.1	Very high	95.5	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-33.3	172	-69.1	-168.3	-60.6	0	0	112.4	R482 T483 L485 P747 Y753 F756 S757 S758 F759 L763	R482-M761 PolarHBondContact NE-O 2.69Å; R482-M761 PolarHBondContact NH2-O 2.97Å; T483-M761 WeakPolarHBondContact O-CE 3.46Å; L485-M761 HydrophobicContact CD2-CB 4.42Å; L485-M761 HydrophobicContact CD2-CG 4.33Å; P747-M761 HydrophobicContact CB-CE 3.8Å; P747-M761 HydrophobicContact CG-CE 3.47Å; P747-M761 VanDerWaalsContact CG-CE 3.47Å; Y753-M761 HydrophobicContact CD2-SD 4.23Å; Y753-M761 HydrophobicContact CG-SD 4.36Å; F756-M761 HydrophobicContact CB-CG 3.65Å; F756-M761 HydrophobicContact CD2-CG 4.03Å; F756-M761 HydrophobicContact CG-CG 4.38Å; S757-M761 PolarHBondContact O-N 2.69Å; S758-M761 PolarHBondContact O-N 2.95Å; F759-M761 PolarHBondContact O-N 3.38Å; M761-L763 PolarHBondContact O-N 2.85Å
762	E	96.6	Very high	95.7	Very high	15 Å²	15	39.8 Å²	39.8	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-26.3	178.8	-68.4	169.9	138.5	0	0	113.3	T479 R481 R586 S758 F759 A760 N764 E765	T479-E762 VanDerWaalsContact CB-OE1 3.29Å; T479-E762 WeakPolarHBondContact CB-OE1 3.44Å; T479-E762 WeakPolarHBondContact CG2-OE1 3.22Å; T479-E762 PolarHBondContact OG1-OE1 3.1Å; R481-E762 HydrophobicContact CB-CG 3.77Å; R481-E762 WeakPolarHBondContact CD-OE1 3.45Å; R481-E762 HydrophobicContact CG-CG 4.42Å; R586-E762 IonicContact CZ-OE2 3.63Å; R586-E762 IonicContact NH1-OE2 2.73Å; R586-E762 PolarHBondContact NH1-OE2 3Å; R586-E762 IonicContact NH2-OE1 3.2Å; R586-E762 IonicContact NH2-OE2 3.22Å; R586-E762 PolarHBondContact NH2-OE2 3.49Å; S758-E762 VanDerWaalsContact O-CG 3.31Å; S758-E762 WeakPolarHBondContact O-CG 3.15Å; S758-E762 PolarHBondContact O-N 3.35Å; S758-E762 VanDerWaalsContact O-N 3.1Å; F759-E762 WeakPolarHBondContact O-CB 3.44Å; F759-E762 PolarHBondContact O-N 3.1Å; F759-E762 VanDerWaalsContact O-N 3.15Å; A760-E762 VanDerWaalsContact C-N 3.3Å; A760-E762 PolarHBondContact O-N 3.32Å; E762-N764 PolarHBondContact O-N 3.27Å; E762-E765 VanDerWaalsContact O-CB 3.24Å; E762-E765 WeakPolarHBondContact O-CB 3.25Å; E762-E765 PolarHBondContact O-N 3.18Å
763	L	97.8	Very high	95.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-44.4	-168.1	-68.2	-178.2	0	0	0	115.4	Q526 C529 E530 F582 F759 A760 M761 E765 R780	Q526-L763 HydrophobicContact CB-CD1 4.05Å; Q526-L763 HydrophobicContact CG-CB 4.39Å; Q526-L763 WeakPolarHBondContact O-CD1 3.44Å; C529-L763 HydrophobicContact CB-CD2 4.16Å; E530-L763 HydrophobicContact CG-CD1 3.65Å; F582-L763 HydrophobicContact CE1-CD2 4.15Å; F582-L763 WeakPolarHBondContact CE2-O 3.44Å; F582-L763 HydrophobicContact CZ-CB 4.09Å; F582-L763 HydrophobicContact CZ-CD2 4.01Å; F582-L763 WeakPolarHBondContact CZ-O 3.35Å; F759-L763 HydrophobicContact CD1-CD2 4.26Å; F759-L763 HydrophobicContact CD1-CG 4.44Å; F759-L763 HydrophobicContact CE1-CD1 4.46Å; F759-L763 HydrophobicContact CE1-CD2 3.77Å; F759-L763 HydrophobicContact CE1-CG 4.37Å; F759-L763 HydrophobicContact CZ-CD2 4.32Å; F759-L763 WeakPolarHBondContact O-CG 3.41Å; F759-L763 PolarHBondContact O-N 2.89Å; A760-L763 PolarHBondContact O-N 2.9Å; M761-L763 PolarHBondContact O-N 2.85Å; L763-E765 VanDerWaalsContact C-N 3.33Å; L763-R780 PolarHBondContact O-NH2 3.39Å
764	N	98.4	Very high	95.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9	-177.3	-151.1	48.1	0	0	0	114	Q526 E762 L766 Q785 R786 E789	Q526-N764 PolarHBondContact NE2-OD1 3.04Å; E762-N764 PolarHBondContact O-N 3.27Å; N764-L766 PolarHBondContact O-N 3.45Å; N764-Q785 PolarHBondContact OD1-NE2 3.49Å; N764-R786 PolarHBondContact ND2-NH1 3.04Å; N764-R786 VanDerWaalsContact O-CZ 3.3Å; N764-R786 PolarHBondContact O-NH1 3.44Å; N764-R786 PolarHBondContact O-NH2 2.9Å; N764-E789 PolarHBondContact ND2-OE2 2.88Å
765	E	97.5	Very high	96	Very high	25 Å²	25	38 Å²	38	12%	0.117	21%	0.213	C	C	.	.			trans	-60.9	128.8	174.8	-176.1	175.3	-120.3	0	0	111.2	R481 R482 E762 L763 T767 R780	R481-E765 WeakPolarHBondContact CB-OE2 3.24Å; R481-E765 WeakPolarHBondContact CG-OE2 3.47Å; R481-E765 IonicContact NH1-OE2 3.74Å; R481-E765 PolarHBondContact NH1-OE2 3.08Å; R482-E765 WeakPolarHBondContact CB-OE1 3.26Å; R482-E765 HydrophobicContact CG-CB 4.38Å; R482-E765 HydrophobicContact CG-CG 4.33Å; R482-E765 WeakPolarHBondContact CG-OE1 3.07Å; R482-E765 PolarHBondContact N-OE1 3Å; E762-E765 VanDerWaalsContact O-CB 3.24Å; E762-E765 WeakPolarHBondContact O-CB 3.25Å; E762-E765 PolarHBondContact O-N 3.18Å; L763-E765 VanDerWaalsContact C-N 3.33Å; E765-T767 HydrophobicContact CG-CG2 4.14Å; E765-R780 WeakPolarHBondContact O-CD 3.5Å; E765-R780 PolarHBondContact O-NE 3.42Å
766	L	96.8	Very high	96.2	Very high	52 Å²	52	40.4 Å²	40.4	27%	0.272	23%	0.228	S	C	.	.			trans	-122.5	94.3	177.2	-179.9	62.1	0	0	0	109.7	N764 K771 L774 R780 L781	N764-L766 PolarHBondContact O-N 3.45Å; L766-K771 HydrophobicContact CD1-CB 3.93Å; L766-K771 HydrophobicContact CD1-CG 4.34Å; L766-K771 HydrophobicContact CG-CB 4.48Å; L766-L774 HydrophobicContact CD1-CD1 3.6Å; L766-R780 HydrophobicContact CB-CB 4.23Å; L766-R780 HydrophobicContact CD1-CB 4.07Å; L766-L781 HydrophobicContact CD1-CD2 4.32Å; L766-L781 HydrophobicContact CD2-CD2 3.84Å
767	T	94.1	Very high	96.3	Very high	55 Å²	55	40.6 Å²	40.6	34%	0.337	23%	0.23	S	C	.	.			trans	-78	153.6	174.9	67.5	0	0	0	0	110.9	E765 N769 L770 K771	E765-T767 HydrophobicContact CG-CG2 4.14Å; T767-N769 PolarHBondContact O-N 3.44Å; T767-L770 PolarHBondContact O-N 3.46Å; T767-L770 VanDerWaalsContact O-N 3.16Å; T767-L770 VanDerWaalsContact OG1-CB 3.32Å; T767-L770 WeakPolarHBondContact OG1-CB 3.18Å; T767-L770 PolarHBondContact OG1-N 3.04Å; T767-K771 PolarHBondContact O-N 2.91Å; T767-K771 VanDerWaalsContact O-N 3.13Å
768	P	94.7	Very high	96.5	Very high	111 Å²	111	40.4 Å²	40.4	72%	0.721	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.7	177.1	-27.2	35.8	0	0	0	113.5	P772	P768-P772 WeakPolarHBondContact O-CD 3.44Å
769	N	94.1	Very high	96.7	Very high	136 Å²	136	37.6 Å²	37.6	73%	0.727	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-28.9	-179.1	-61.7	0.8	0	0	0	112.8	T767 P772	T767-N769 PolarHBondContact O-N 3.44Å; N769-P772 WeakPolarHBondContact O-CD 3.46Å
770	L	95.1	Very high	96.8	Very high	29 Å²	29	37.8 Å²	37.8	15%	0.152	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-40.6	175.7	-179.1	60.8	0	0	0	111.5	T767 P772 L773 L774	T767-L770 PolarHBondContact O-N 3.46Å; T767-L770 VanDerWaalsContact O-N 3.16Å; T767-L770 VanDerWaalsContact OG1-CB 3.32Å; T767-L770 WeakPolarHBondContact OG1-CB 3.18Å; T767-L770 PolarHBondContact OG1-N 3.04Å; L770-P772 VanDerWaalsContact C-CD 3.49Å; L770-L773 WeakPolarHBondContact O-CB 3.44Å; L770-L773 PolarHBondContact O-N 2.98Å; L770-L774 HydrophobicContact CD1-CD2 3.9Å; L770-L774 HydrophobicContact CD1-CG 4.31Å; L770-L774 HydrophobicContact CD2-CD2 4.44Å; L770-L774 HydrophobicContact CG-CD1 4.16Å; L770-L774 HydrophobicContact CG-CD2 3.98Å; L770-L774 HydrophobicContact CG-CG 4.03Å; L770-L774 PolarHBondContact O-N 2.98Å
771	K	95.7	Very high	96.9	Very high	126 Å²	126	39.8 Å²	39.8	55%	0.548	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-46.9	-45.7	-175.1	-172	175.3	-179.8	-179.8	0	115.9	L766 T767 L773 L781	L766-K771 HydrophobicContact CD1-CB 3.93Å; L766-K771 HydrophobicContact CD1-CG 4.34Å; L766-K771 HydrophobicContact CG-CB 4.48Å; T767-K771 PolarHBondContact O-N 2.91Å; T767-K771 VanDerWaalsContact O-N 3.13Å; K771-L773 VanDerWaalsContact C-N 3.29Å; K771-L773 PolarHBondContact O-N 3.05Å; K771-L781 HydrophobicContact CG-CD2 4.22Å
772	P	95.3	Very high	97	Very high	85 Å²	85	40 Å²	40	55%	0.552	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-73.8	-14.3	179.4	29.7	-37.1	0	0	0	114.6	P768 N769 L770	P768-P772 WeakPolarHBondContact O-CD 3.44Å; N769-P772 WeakPolarHBondContact O-CD 3.46Å; L770-P772 VanDerWaalsContact C-CD 3.49Å
773	L	96.7	Very high	97.1	Very high	77 Å²	77	40.6 Å²	40.6	40%	0.403	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-89.9	-18.7	179.8	-54.9	177.8	0	0	0	112.8	L770 K771 F853	L770-L773 WeakPolarHBondContact O-CB 3.44Å; L770-L773 PolarHBondContact O-N 2.98Å; K771-L773 VanDerWaalsContact C-N 3.29Å; K771-L773 PolarHBondContact O-N 3.05Å; L773-F853 WeakPolarHBondContact O-CD2 3.37Å
774	L	97.9	Very high	97.1	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	23%	0.225	C	C	.	.	S	Bend	trans	-75.6	146	-177.3	-64.1	177.2	0	0	0	111.8	E583 L766 L770 D778 R780 L781	E583-L774 HydrophobicContact CG-CD2 3.59Å; L766-L774 HydrophobicContact CD1-CD1 3.6Å; L770-L774 HydrophobicContact CD1-CD2 3.9Å; L770-L774 HydrophobicContact CD1-CG 4.31Å; L770-L774 HydrophobicContact CD2-CD2 4.44Å; L770-L774 HydrophobicContact CG-CD1 4.16Å; L770-L774 HydrophobicContact CG-CD2 3.98Å; L770-L774 HydrophobicContact CG-CG 4.03Å; L770-L774 PolarHBondContact O-N 2.98Å; L774-D778 HydrophobicContact CB-CB 4Å; L774-D778 HydrophobicContact CD1-CB 4.12Å; L774-D778 HydrophobicContact CD2-CB 4.1Å; L774-D778 HydrophobicContact CG-CB 4.29Å; L774-R780 HydrophobicContact CD1-CB 4.19Å; L774-L781 HydrophobicContact CB-CD1 4.2Å; L774-L781 HydrophobicContact CD1-CD2 4.49Å; L774-L781 HydrophobicContact CD1-CG 4.28Å
775	P	97.8	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.			trans	-65.5	149.8	161.3	31.2	-33.2	0	0	0	109.2	T777 D778 L781 Y844 F853	P775-T777 PolarHBondContact O-N 3.42Å; P775-D778 HydrophobicContact CG-CB 4.27Å; P775-D778 WeakPolarHBondContact O-CB 3.5Å; P775-D778 PolarHBondContact O-N 2.65Å; P775-L781 WeakPolarHBondContact O-CD1 3.49Å; P775-Y844 WeakPolarHBondContact CD-OH 3.43Å; P775-Y844 HydrophobicContact CG-CE2 4.18Å; P775-Y844 WeakPolarHBondContact CG-OH 3.46Å; P775-F853 HydrophobicContact CB-CB 4.07Å; P775-F853 HydrophobicContact CB-CD1 4.05Å; P775-F853 HydrophobicContact CB-CD2 3.78Å; P775-F853 HydrophobicContact CB-CE1 4.45Å; P775-F853 HydrophobicContact CB-CE2 4.18Å; P775-F853 HydrophobicContact CB-CG 3.71Å; P775-F853 VanDerWaalsContact CD-CD2 3.48Å; P775-F853 HydrophobicContact CG-CD2 4.06Å; P775-F853 HydrophobicContact CG-CE2 4.07Å; P775-F853 HydrophobicContact CG-CG 4.47Å
776	P	97.5	Very high	97.1	Very high	54 Å²	54	41.2 Å²	41.2	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	0.6	176.3	30.9	-37.2	0	0	0	113.4	N858 W862	P776-N858 WeakPolarHBondContact CD-ND2 3.45Å; P776-N858 HydrophobicContact CG-CB 3.4Å; P776-N858 VanDerWaalsContact CG-CB 3.4Å; P776-W862 WeakPolarHBondContact O-CZ2 3.44Å
777	T	98.3	Very high	97.2	Very high	5 Å²	5	41 Å²	41	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.8	171.1	56.9	0	0	0	0	113.4	T581 P775 T859 L861	T581-T777 PolarHBondContact N-O 2.96Å; T581-T777 WeakPolarHBondContact OG1-CB 3.43Å; T581-T777 PolarHBondContact OG1-O 3.47Å; T581-T777 PolarHBondContact OG1-OG1 3.49Å; P775-T777 PolarHBondContact O-N 3.42Å; T777-T859 WeakPolarHBondContact CG2-O 3.22Å; T777-L861 HydrophobicContact CG2-CD1 3.65Å; T777-L861 HydrophobicContact CG2-CG 4.16Å
778	D	98.8	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-67.5	136.8	178.5	-171.1	-95.6	0	0	0	111.9	T581 F582 E583 L774 P775 R780 L781	T581-D778 CarbonylContact O-C 3.59Å; T581-D778 WeakPolarHBondContact O-CA 3.35Å; T581-D778 PolarHBondContact OG1-N 3.44Å; F582-D778 WeakPolarHBondContact CA-OD2 3.4Å; E583-D778 PolarHBondContact N-OD2 3.45Å; L774-D778 HydrophobicContact CB-CB 4Å; L774-D778 HydrophobicContact CD1-CB 4.12Å; L774-D778 HydrophobicContact CD2-CB 4.1Å; L774-D778 HydrophobicContact CG-CB 4.29Å; P775-D778 HydrophobicContact CG-CB 4.27Å; P775-D778 WeakPolarHBondContact O-CB 3.5Å; P775-D778 PolarHBondContact O-N 2.65Å; D778-R780 PolarHBondContact O-N 2.98Å; D778-R780 VanDerWaalsContact O-N 3.09Å; D778-R780 VanDerWaalsContact OD1-CB 3.24Å; D778-R780 WeakPolarHBondContact OD1-CB 3.4Å; D778-R780 WeakPolarHBondContact OD1-CD 3.38Å; D778-R780 VanDerWaalsContact OD1-CG 3.24Å; D778-R780 WeakPolarHBondContact OD1-CG 3.48Å; D778-R780 IonicContact OD1-CZ 2.83Å; D778-R780 PolarHBondContact OD1-N 3.42Å; D778-R780 IonicContact OD1-NH1 3.64Å; D778-R780 PolarHBondContact OD1-NH1 3.16Å; D778-R780 IonicContact OD2-NH1 2.76Å; D778-R780 PolarHBondContact OD2-NH1 3.12Å; D778-L781 WeakPolarHBondContact O-CB 3.21Å; D778-L781 PolarHBondContact O-N 3.28Å
779	T	98.7	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-54.6	-30.7	-177.4	-57.5	0	0	0	0	112.8	N523 Q526 T581 L781 R782	N523-T779 HydrophobicContact CB-CG2 4.22Å; N523-T779 VanDerWaalsContact CG-CG2 3.45Å; N523-T779 WeakPolarHBondContact ND2-CG2 3.46Å; N523-T779 PolarHBondContact ND2-OG1 3.1Å; Q526-T779 VanDerWaalsContact CD-CG2 3.5Å; Q526-T779 HydrophobicContact CG-CG2 4.33Å; T581-T779 PolarHBondContact O-N 3.41Å; T581-T779 PolarHBondContact O-OG1 3.01Å; T779-L781 PolarHBondContact O-N 3.42Å; T779-R782 WeakPolarHBondContact O-CB 3.45Å; T779-R782 PolarHBondContact O-N 3.38Å
780	R	98.6	Very high	97.7	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.038	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.9	177.7	-66.7	169.8	-175.2	86.1	0.5	113.7	F582 E583 L763 E765 L766 L774 D778 R786	F582-R780 VanDerWaalsContact CE2-NH1 3.27Å; E583-R780 VanDerWaalsContact O-CZ 3.24Å; E583-R780 PolarHBondContact O-NH1 3.33Å; E583-R780 PolarHBondContact O-NH2 3.45Å; L763-R780 PolarHBondContact O-NH2 3.39Å; E765-R780 WeakPolarHBondContact O-CD 3.5Å; E765-R780 PolarHBondContact O-NE 3.42Å; L766-R780 HydrophobicContact CB-CB 4.23Å; L766-R780 HydrophobicContact CD1-CB 4.07Å; L774-R780 HydrophobicContact CD1-CB 4.19Å; D778-R780 PolarHBondContact O-N 2.98Å; D778-R780 VanDerWaalsContact O-N 3.09Å; D778-R780 VanDerWaalsContact OD1-CB 3.24Å; D778-R780 WeakPolarHBondContact OD1-CB 3.4Å; D778-R780 WeakPolarHBondContact OD1-CD 3.38Å; D778-R780 VanDerWaalsContact OD1-CG 3.24Å; D778-R780 WeakPolarHBondContact OD1-CG 3.48Å; D778-R780 IonicContact OD1-CZ 2.83Å; D778-R780 PolarHBondContact OD1-N 3.42Å; D778-R780 IonicContact OD1-NH1 3.64Å; D778-R780 PolarHBondContact OD1-NH1 3.16Å; D778-R780 IonicContact OD2-NH1 2.76Å; D778-R780 PolarHBondContact OD2-NH1 3.12Å; R780-R786 PolarHBondContact O-NH2 3.41Å
781	L	98.3	Very high	97.8	Very high	42 Å²	42	30.8 Å²	30.8	22%	0.22	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-91.8	-5.9	178.6	-56	175.6	0	0	0	112.1	L766 K771 L774 P775 D778 T779 P783 W862	L766-L781 HydrophobicContact CD1-CD2 4.32Å; L766-L781 HydrophobicContact CD2-CD2 3.84Å; K771-L781 HydrophobicContact CG-CD2 4.22Å; L774-L781 HydrophobicContact CB-CD1 4.2Å; L774-L781 HydrophobicContact CD1-CD2 4.49Å; L774-L781 HydrophobicContact CD1-CG 4.28Å; P775-L781 WeakPolarHBondContact O-CD1 3.49Å; D778-L781 WeakPolarHBondContact O-CB 3.21Å; D778-L781 PolarHBondContact O-N 3.28Å; T779-L781 PolarHBondContact O-N 3.42Å; L781-P783 WeakPolarHBondContact O-CD 3.45Å; L781-W862 HydrophobicContact CB-CZ2 4.01Å; L781-W862 PolarHBondContact O-NE1 2.99Å
782	R	98.4	Very high	97.9	Very high	6 Å²	6	29 Å²	29	2%	0.023	16%	0.16	C	C	.	.			trans	-67.8	116.5	178.1	179.2	168.9	172.7	164.4	-3.9	110.5	N575 E580 T779 D784 Q785 R786 W862	N575-R782 PolarHBondContact O-NH1 2.95Å; E580-R782 VanDerWaalsContact OE1-CD 3.24Å; E580-R782 WeakPolarHBondContact OE1-CD 3.39Å; E580-R782 IonicContact OE1-NH1 2.96Å; E580-R782 PolarHBondContact OE1-NH1 3.36Å; E580-R782 IonicContact OE2-CZ 3.97Å; E580-R782 IonicContact OE2-NH1 3.4Å; E580-R782 PolarHBondContact OE2-NH1 3.4Å; T779-R782 WeakPolarHBondContact O-CB 3.45Å; T779-R782 PolarHBondContact O-N 3.38Å; R782-D784 WeakPolarHBondContact CG-OD1 3.4Å; R782-D784 IonicContact CZ-OD1 2.68Å; R782-D784 IonicContact CZ-OD2 2.71Å; R782-D784 IonicContact NE-OD1 2.69Å; R782-D784 PolarHBondContact NE-OD1 3.46Å; R782-D784 IonicContact NE-OD2 3.87Å; R782-D784 PolarHBondContact NE-OD2 3.02Å; R782-D784 IonicContact NH2-OD1 2.8Å; R782-D784 IonicContact NH2-OD2 2.69Å; R782-D784 PolarHBondContact NH2-OD2 2.94Å; R782-Q785 HydrophobicContact CB-CB 4.49Å; R782-Q785 HydrophobicContact CG-CB 4.19Å; R782-R786 PolarHBondContact O-N 3.11Å; R782-W862 HydrophobicContact CB-CE3 4.2Å; R782-W862 HydrophobicContact CB-CH2 3.88Å; R782-W862 HydrophobicContact CB-CZ2 4.33Å; R782-W862 HydrophobicContact CB-CZ3 3.81Å; R782-W862 HydrophobicContact CG-CE3 4.11Å; R782-W862 HydrophobicContact CG-CZ3 4.02Å
783	P	98.2	Very high	97.9	Very high	29 Å²	29	26.6 Å²	26.6	19%	0.188	14%	0.144	C	C	.	.	H	α-helix	trans	-78.1	-35.5	-162.9	28.1	-34.9	0	0	0	114.3	L781 R786 M787 K799 V803 W862	L781-P783 WeakPolarHBondContact O-CD 3.45Å; P783-R786 PolarHBondContact O-N 3.05Å; P783-M787 WeakPolarHBondContact O-CB 3.42Å; P783-M787 VanDerWaalsContact O-CG 3.24Å; P783-M787 WeakPolarHBondContact O-CG 3.42Å; P783-M787 PolarHBondContact O-N 2.92Å; P783-K799 HydrophobicContact CB-CG 3.97Å; P783-K799 HydrophobicContact CG-CD 4.15Å; P783-K799 HydrophobicContact CG-CG 3.74Å; P783-V803 HydrophobicContact CG-CG2 4.44Å; P783-W862 HydrophobicContact CG-CB 3.98Å; P783-W862 HydrophobicContact CG-CG 4.06Å
784	D	98.3	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-41.9	177.3	57.6	-42.5	0	0	0	112	F574 R782 M787 L788 A796 K799 K800	F574-D784 HydrophobicContact CE1-CB 4.46Å; F574-D784 WeakPolarHBondContact CE1-OD2 3.46Å; R782-D784 WeakPolarHBondContact CG-OD1 3.4Å; R782-D784 IonicContact CZ-OD1 2.68Å; R782-D784 IonicContact CZ-OD2 2.71Å; R782-D784 IonicContact NE-OD1 2.69Å; R782-D784 PolarHBondContact NE-OD1 3.46Å; R782-D784 IonicContact NE-OD2 3.87Å; R782-D784 PolarHBondContact NE-OD2 3.02Å; R782-D784 IonicContact NH2-OD1 2.8Å; R782-D784 IonicContact NH2-OD2 2.69Å; R782-D784 PolarHBondContact NH2-OD2 2.94Å; D784-M787 PolarHBondContact O-N 3.46Å; D784-L788 PolarHBondContact O-N 3.22Å; D784-L788 VanDerWaalsContact O-N 3.16Å; D784-A796 WeakPolarHBondContact O-CB 3.33Å; D784-K799 HydrophobicContact CB-CB 4.23Å; D784-K799 HydrophobicContact CB-CG 4.34Å; D784-K800 HydrophobicContact CB-CB 3.82Å; D784-K800 WeakPolarHBondContact OD2-CG 3.44Å
785	Q	98.3	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-41.3	175	-173.4	177.7	-48.8	0	0	111.9	P521 F574 N764 R782 L788 E789	P521-Q785 WeakPolarHBondContact O-CG 3.32Å; P521-Q785 PolarHBondContact O-NE2 2.82Å; F574-Q785 HydrophobicContact CD2-CB 4.09Å; F574-Q785 HydrophobicContact CD2-CG 3.76Å; F574-Q785 HydrophobicContact CE2-CB 3.99Å; F574-Q785 HydrophobicContact CE2-CG 3.82Å; F574-Q785 HydrophobicContact CG-CB 4.42Å; F574-Q785 HydrophobicContact CG-CG 4.44Å; F574-Q785 HydrophobicContact CZ-CB 4.22Å; N764-Q785 PolarHBondContact OD1-NE2 3.49Å; R782-Q785 HydrophobicContact CB-CB 4.49Å; R782-Q785 HydrophobicContact CG-CB 4.19Å; Q785-L788 PolarHBondContact O-N 3.11Å; Q785-E789 PolarHBondContact O-N 3.4Å
786	R	98.2	Very high	97.8	Very high	39 Å²	39	29.7 Å²	29.7	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-43.4	175.3	-174.5	64.2	61.6	-167.8	2.1	112.2	N764 R780 R782 P783 L788 E789 E790	N764-R786 PolarHBondContact ND2-NH1 3.04Å; N764-R786 VanDerWaalsContact O-CZ 3.3Å; N764-R786 PolarHBondContact O-NH1 3.44Å; N764-R786 PolarHBondContact O-NH2 2.9Å; R780-R786 PolarHBondContact O-NH2 3.41Å; R782-R786 PolarHBondContact O-N 3.11Å; P783-R786 PolarHBondContact O-N 3.05Å; R786-L788 VanDerWaalsContact C-N 3.32Å; R786-L788 PolarHBondContact O-N 3.32Å; R786-E789 IonicContact CZ-OE2 3.27Å; R786-E789 IonicContact NE-OE2 3.72Å; R786-E789 IonicContact NH1-OE1 2.86Å; R786-E789 IonicContact NH1-OE2 2.67Å; R786-E789 PolarHBondContact NH1-OE2 2.97Å; R786-E789 WeakPolarHBondContact O-CB 3.49Å; R786-E789 PolarHBondContact O-N 2.82Å; R786-E789 VanDerWaalsContact O-N 3.16Å; R786-E790 WeakPolarHBondContact CG-OE1 3.46Å; R786-E790 WeakPolarHBondContact O-CG 3.26Å; R786-E790 PolarHBondContact O-N 2.96Å
787	M	98.4	Very high	97.6	Very high	49 Å²	49	29 Å²	29	24%	0.241	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-39.2	177.6	-75.6	164.5	169.8	0	0	112.2	P783 D784 E790 G791 K792 E795 A796 K799	P783-M787 WeakPolarHBondContact O-CB 3.42Å; P783-M787 VanDerWaalsContact O-CG 3.24Å; P783-M787 WeakPolarHBondContact O-CG 3.42Å; P783-M787 PolarHBondContact O-N 2.92Å; D784-M787 PolarHBondContact O-N 3.46Å; M787-E790 PolarHBondContact O-N 3.25Å; M787-G791 PolarHBondContact O-N 2.71Å; M787-K792 HydrophobicContact CB-CB 4.33Å; M787-K792 WeakPolarHBondContact O-CA 3.4Å; M787-K792 WeakPolarHBondContact O-CB 3.4Å; M787-K792 PolarHBondContact O-N 3.18Å; M787-E795 HydrophobicContact CB-CB 4.48Å; M787-E795 HydrophobicContact CE-CB 4.36Å; M787-E795 HydrophobicContact CG-CB 4.26Å; M787-E795 HydrophobicContact SD-CB 3.83Å; M787-A796 HydrophobicContact CB-CB 3.76Å; M787-K799 HydrophobicContact SD-CB 3.72Å; M787-K799 HydrophobicContact SD-CG 4.16Å
788	L	98	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-39.9	175.3	-176.8	65.5	0	0	0	111.9	P490 A516 N519 F574 D784 Q785 R786 E790 G791 V793 A796	P490-L788 HydrophobicContact CG-CD1 4.34Å; A516-L788 HydrophobicContact CB-CD1 4.34Å; A516-L788 WeakPolarHBondContact O-CD1 3.47Å; A516-L788 WeakPolarHBondContact O-CD2 3.49Å; N519-L788 HydrophobicContact CB-CD2 3.86Å; F574-L788 HydrophobicContact CE2-CB 4.5Å; F574-L788 HydrophobicContact CE2-CD2 3.67Å; F574-L788 HydrophobicContact CZ-CB 4.29Å; F574-L788 HydrophobicContact CZ-CD2 3.88Å; D784-L788 PolarHBondContact O-N 3.22Å; D784-L788 VanDerWaalsContact O-N 3.16Å; Q785-L788 PolarHBondContact O-N 3.11Å; R786-L788 VanDerWaalsContact C-N 3.32Å; R786-L788 PolarHBondContact O-N 3.32Å; L788-E790 VanDerWaalsContact C-N 3.28Å; L788-E790 PolarHBondContact O-N 2.91Å; L788-G791 PolarHBondContact O-N 3.46Å; L788-V793 HydrophobicContact CD1-CG1 4.46Å; L788-V793 HydrophobicContact CD1-CG2 4.21Å; L788-A796 HydrophobicContact CB-CB 3.96Å
789	E	98.1	Very high	97.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.6	-29.3	178	-159.1	179.4	-164.5	0	0	113.3	R482 A487 P521 N764 Q785 R786 G791	R482-E789 IonicContact CZ-OE1 3.25Å; R482-E789 IonicContact NH1-OE1 3.12Å; R482-E789 PolarHBondContact NH1-OE1 3.42Å; R482-E789 IonicContact NH2-OE1 2.68Å; R482-E789 PolarHBondContact NH2-OE1 3.32Å; A487-E789 PolarHBondContact N-O 3.23Å; P521-E789 HydrophobicContact CB-CB 3.59Å; P521-E789 HydrophobicContact CB-CG 3.74Å; P521-E789 HydrophobicContact CG-CB 4.32Å; P521-E789 HydrophobicContact CG-CG 4.08Å; N764-E789 PolarHBondContact ND2-OE2 2.88Å; Q785-E789 PolarHBondContact O-N 3.4Å; R786-E789 IonicContact CZ-OE2 3.27Å; R786-E789 IonicContact NE-OE2 3.72Å; R786-E789 IonicContact NH1-OE1 2.86Å; R786-E789 IonicContact NH1-OE2 2.67Å; R786-E789 PolarHBondContact NH1-OE2 2.97Å; R786-E789 WeakPolarHBondContact O-CB 3.49Å; R786-E789 PolarHBondContact O-N 2.82Å; R786-E789 VanDerWaalsContact O-N 3.16Å; E789-G791 VanDerWaalsContact C-N 3.26Å
790	E	98.1	Very high	97.3	Very high	79 Å²	79	38.9 Å²	38.9	37%	0.369	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6	171.2	-67.4	174.3	-166	0	0	113	R786 M787 L788 K792	R786-E790 WeakPolarHBondContact CG-OE1 3.46Å; R786-E790 WeakPolarHBondContact O-CG 3.26Å; R786-E790 PolarHBondContact O-N 2.96Å; M787-E790 PolarHBondContact O-N 3.25Å; L788-E790 VanDerWaalsContact C-N 3.28Å; L788-E790 PolarHBondContact O-N 2.91Å; E790-K792 HydrophobicContact CB-CD 4.18Å; E790-K792 HydrophobicContact CB-CG 4.25Å; E790-K792 PolarHBondContact O-N 2.67Å; E790-K792 WeakPolarHBondContact OE2-CE 3.41Å; E790-K792 IonicContact OE2-NZ 3.38Å; E790-K792 PolarHBondContact OE2-NZ 3.23Å
791	G	96.9	Very high	97.1	Very high	35 Å²	35	42.5 Å²	42.5	36%	0.361	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	3.2	179.5	0	0	0	0	0	115	M787 L788 E789 V793	M787-G791 PolarHBondContact O-N 2.71Å; L788-G791 PolarHBondContact O-N 3.46Å; E789-G791 VanDerWaalsContact C-N 3.26Å; G791-V793 PolarHBondContact O-N 3.2Å
792	K	97.8	Very high	97	Very high	89 Å²	89	44.5 Å²	44.5	39%	0.387	23%	0.231	S	C	.	.			trans	-83.7	55.6	-175.6	-57.3	170.9	-179.9	167.2	0	111.6	M787 E790 A794 E795 A796	M787-K792 HydrophobicContact CB-CB 4.33Å; M787-K792 WeakPolarHBondContact O-CA 3.4Å; M787-K792 WeakPolarHBondContact O-CB 3.4Å; M787-K792 PolarHBondContact O-N 3.18Å; E790-K792 HydrophobicContact CB-CD 4.18Å; E790-K792 HydrophobicContact CB-CG 4.25Å; E790-K792 PolarHBondContact O-N 2.67Å; E790-K792 WeakPolarHBondContact OE2-CE 3.41Å; E790-K792 IonicContact OE2-NZ 3.38Å; E790-K792 PolarHBondContact OE2-NZ 3.23Å; K792-A794 VanDerWaalsContact C-N 3.3Å; K792-A794 PolarHBondContact O-N 2.93Å; K792-A794 VanDerWaalsContact O-N 3.15Å; K792-E795 HydrophobicContact CB-CB 4.11Å; K792-E795 WeakPolarHBondContact O-CA 3.22Å; K792-E795 WeakPolarHBondContact O-CB 3.37Å; K792-E795 PolarHBondContact O-N 2.77Å; K792-A796 PolarHBondContact O-N 2.92Å
793	V	95.4	Very high	96.9	Very high	34 Å²	34	44.2 Å²	44.2	21%	0.206	23%	0.229	C	C	.	.	H	α-helix	trans	-49.8	-45.8	-170.7	-170.5	0	0	0	0	113.1	P490 A517 L788 G791 E795 A796 D797	P490-V793 HydrophobicContact CB-CG2 3.7Å; P490-V793 HydrophobicContact CG-CG2 3.96Å; A517-V793 HydrophobicContact CB-CG1 3.96Å; L788-V793 HydrophobicContact CD1-CG1 4.46Å; L788-V793 HydrophobicContact CD1-CG2 4.21Å; G791-V793 PolarHBondContact O-N 3.2Å; V793-E795 VanDerWaalsContact C-N 3.3Å; V793-E795 PolarHBondContact O-N 2.95Å; V793-A796 WeakPolarHBondContact O-CB 3.31Å; V793-A796 PolarHBondContact O-N 3.3Å; V793-D797 PolarHBondContact O-N 3.01Å
794	A	94.3	Very high	96.6	Very high	70 Å²	70	45.4 Å²	45.4	58%	0.579	23%	0.232	S	C	*	.	H	α-helix	trans	-74.1	-15	-178.9	0	0	0	0	0	114.4	K792 R798	K792-A794 VanDerWaalsContact C-N 3.3Å; K792-A794 PolarHBondContact O-N 2.93Å; K792-A794 VanDerWaalsContact O-N 3.15Å; A794-R798 PolarHBondContact O-NE 3.01Å; A794-R798 PolarHBondContact O-NH2 3.34Å
795	E	97.3	Very high	96.4	Very high	82 Å²	82	50 Å²	50	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-85.5	-41.3	166.3	-71	171.2	-147.3	0	0	110.5	M787 K792 V793 D797 R798 K799	M787-E795 HydrophobicContact CB-CB 4.48Å; M787-E795 HydrophobicContact CE-CB 4.36Å; M787-E795 HydrophobicContact CG-CB 4.26Å; M787-E795 HydrophobicContact SD-CB 3.83Å; K792-E795 HydrophobicContact CB-CB 4.11Å; K792-E795 WeakPolarHBondContact O-CA 3.22Å; K792-E795 WeakPolarHBondContact O-CB 3.37Å; K792-E795 PolarHBondContact O-N 2.77Å; V793-E795 VanDerWaalsContact C-N 3.3Å; V793-E795 PolarHBondContact O-N 2.95Å; E795-D797 PolarHBondContact O-N 2.76Å; E795-R798 VanDerWaalsContact CG-NH2 3.32Å; E795-R798 PolarHBondContact O-N 2.72Å; E795-K799 WeakPolarHBondContact O-CB 3.45Å; E795-K799 PolarHBondContact O-N 2.98Å
796	A	97.3	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-48	175.6	0	0	0	0	0	112.1	A516 D784 M787 L788 K792 V793 K799 K800	A516-A796 HydrophobicContact CB-CB 4Å; D784-A796 WeakPolarHBondContact O-CB 3.33Å; M787-A796 HydrophobicContact CB-CB 3.76Å; L788-A796 HydrophobicContact CB-CB 3.96Å; K792-A796 PolarHBondContact O-N 2.92Å; V793-A796 WeakPolarHBondContact O-CB 3.31Å; V793-A796 PolarHBondContact O-N 3.3Å; A796-K799 PolarHBondContact O-N 2.86Å; A796-K800 WeakPolarHBondContact O-CB 3.42Å; A796-K800 PolarHBondContact O-N 3.41Å
797	D	94.6	Very high	96	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.214	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-47	177.6	-97.5	-49.1	0	0	0	112.5	P515 A516 V793 E795 K800 D801	P515-D797 WeakPolarHBondContact CA-OD1 3.45Å; A516-D797 HydrophobicContact CB-CB 4.36Å; A516-D797 VanDerWaalsContact N-CG 3.27Å; A516-D797 PolarHBondContact N-OD1 3.31Å; A516-D797 PolarHBondContact N-OD2 2.86Å; A516-D797 VanDerWaalsContact N-OD2 3.12Å; V793-D797 PolarHBondContact O-N 3.01Å; E795-D797 PolarHBondContact O-N 2.76Å; D797-K800 WeakPolarHBondContact O-CB 3.46Å; D797-K800 PolarHBondContact O-N 2.98Å; D797-K800 IonicContact OD1-NZ 2.64Å; D797-D801 PolarHBondContact O-N 3.31Å; D797-D801 VanDerWaalsContact O-N 3.12Å
798	R	96.3	Very high	95.7	Very high	163 Å²	163	54.2 Å²	54.2	62%	0.615	27%	0.272	S	S	*	.	H	α-helix	trans	-61.4	-47.6	177.7	-74.6	-178.2	-71.4	165.7	0.5	111.7	A794 E795 K800 D801 D802	A794-R798 PolarHBondContact O-NE 3.01Å; A794-R798 PolarHBondContact O-NH2 3.34Å; E795-R798 VanDerWaalsContact CG-NH2 3.32Å; E795-R798 PolarHBondContact O-N 2.72Å; R798-K800 VanDerWaalsContact C-N 3.31Å; R798-K800 PolarHBondContact O-N 3.47Å; R798-D801 PolarHBondContact O-N 3.26Å; R798-D802 PolarHBondContact O-N 3.45Å
799	K	97.4	Very high	95.6	Very high	41 Å²	41	57 Å²	57	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-28.8	-179.5	-172.7	58	-173.3	168	0	112	P783 D784 M787 E795 A796 D802 V803 W862	P783-K799 HydrophobicContact CB-CG 3.97Å; P783-K799 HydrophobicContact CG-CD 4.15Å; P783-K799 HydrophobicContact CG-CG 3.74Å; D784-K799 HydrophobicContact CB-CB 4.23Å; D784-K799 HydrophobicContact CB-CG 4.34Å; M787-K799 HydrophobicContact SD-CB 3.72Å; M787-K799 HydrophobicContact SD-CG 4.16Å; E795-K799 WeakPolarHBondContact O-CB 3.45Å; E795-K799 PolarHBondContact O-N 2.98Å; A796-K799 PolarHBondContact O-N 2.86Å; K799-D802 HydrophobicContact CD-CB 4.15Å; K799-D802 WeakPolarHBondContact CD-OD2 3.29Å; K799-D802 WeakPolarHBondContact O-CB 3.43Å; K799-D802 PolarHBondContact O-N 3.25Å; K799-V803 VanDerWaalsContact O-CG2 3.25Å; K799-V803 WeakPolarHBondContact O-CG2 3.38Å; K799-V803 PolarHBondContact O-N 3.11Å; K799-W862 PolarHBondContact NZ-OXT 3Å
800	K	95.9	Very high	95.3	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-42.5	172.8	-174.2	-179.5	117.7	-70.2	0	111.1	S513 M514 F574 D784 A796 D797 R798 V803 E804	S513-K800 WeakPolarHBondContact OG-CE 3.39Å; S513-K800 PolarHBondContact OG-NZ 2.95Å; M514-K800 WeakPolarHBondContact O-CE 3.3Å; M514-K800 PolarHBondContact O-NZ 2.83Å; M514-K800 VanDerWaalsContact O-NZ 3.12Å; F574-K800 HydrophobicContact CD1-CD 4.46Å; F574-K800 HydrophobicContact CE1-CD 4.01Å; F574-K800 HydrophobicContact CE1-CG 4.47Å; D784-K800 HydrophobicContact CB-CB 3.82Å; D784-K800 WeakPolarHBondContact OD2-CG 3.44Å; A796-K800 WeakPolarHBondContact O-CB 3.42Å; A796-K800 PolarHBondContact O-N 3.41Å; D797-K800 WeakPolarHBondContact O-CB 3.46Å; D797-K800 PolarHBondContact O-N 2.98Å; D797-K800 IonicContact OD1-NZ 2.64Å; R798-K800 VanDerWaalsContact C-N 3.31Å; R798-K800 PolarHBondContact O-N 3.47Å; K800-V803 PolarHBondContact O-N 3.42Å; K800-E804 WeakPolarHBondContact CE-OE1 3.37Å; K800-E804 IonicContact NZ-OE1 3.85Å; K800-E804 WeakPolarHBondContact O-CB 3.39Å; K800-E804 WeakPolarHBondContact O-CG 3.43Å; K800-E804 PolarHBondContact O-N 3.25Å
801	D	93.9	Very high	95	Very high	86 Å²	86	58.6 Å²	58.6	46%	0.46	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-38.9	176.8	-75	-3.5	0	0	0	112	D797 R798 E804 E805 R808	D797-D801 PolarHBondContact O-N 3.31Å; D797-D801 VanDerWaalsContact O-N 3.12Å; R798-D801 PolarHBondContact O-N 3.26Å; D801-E804 PolarHBondContact O-N 3.01Å; D801-E805 WeakPolarHBondContact O-CB 3.33Å; D801-E805 PolarHBondContact O-N 3.48Å; D801-R808 PolarHBondContact O-NH2 3.24Å
802	D	96.3	Very high	94.8	Very high	85 Å²	85	62.3 Å²	62.3	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-58.3	-50.2	170.9	-66.8	-29.3	0	0	0	111.6	R798 K799 E804 E805 I806	R798-D802 PolarHBondContact O-N 3.45Å; K799-D802 HydrophobicContact CD-CB 4.15Å; K799-D802 WeakPolarHBondContact CD-OD2 3.29Å; K799-D802 WeakPolarHBondContact O-CB 3.43Å; K799-D802 PolarHBondContact O-N 3.25Å; D802-E804 VanDerWaalsContact C-N 3.33Å; D802-E804 PolarHBondContact O-N 2.93Å; D802-E805 PolarHBondContact O-N 3.32Å; D802-I806 WeakPolarHBondContact O-CG1 3.3Å; D802-I806 PolarHBondContact O-N 2.74Å
803	V	95.9	Very high	94.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-41	-179.8	170.9	0	0	0	0	110.9	V577 P783 K799 K800 E805 Q807 W862	V577-V803 HydrophobicContact CG1-CG1 3.65Å; P783-V803 HydrophobicContact CG-CG2 4.44Å; K799-V803 VanDerWaalsContact O-CG2 3.25Å; K799-V803 WeakPolarHBondContact O-CG2 3.38Å; K799-V803 PolarHBondContact O-N 3.11Å; K800-V803 PolarHBondContact O-N 3.42Å; V803-E805 VanDerWaalsContact C-N 3.33Å; V803-E805 PolarHBondContact O-N 2.94Å; V803-Q807 WeakPolarHBondContact O-CB 3.44Å; V803-Q807 PolarHBondContact O-N 2.66Å; V803-Q807 VanDerWaalsContact O-N 3.13Å; V803-W862 HydrophobicContact CG2-CB 3.59Å
804	E	92.3	Very high	94.4	Very high	54 Å²	54	61.7 Å²	61.7	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-32.8	173.3	-75	-168.2	-145.2	0	0	112.5	S513 K800 D801 D802 R808	S513-E804 WeakPolarHBondContact CB-OE1 3.21Å; S513-E804 WeakPolarHBondContact CB-OE2 3.29Å; S513-E804 PolarHBondContact OG-OE1 3.46Å; S513-E804 PolarHBondContact OG-OE2 2.96Å; K800-E804 WeakPolarHBondContact CE-OE1 3.37Å; K800-E804 IonicContact NZ-OE1 3.85Å; K800-E804 WeakPolarHBondContact O-CB 3.39Å; K800-E804 WeakPolarHBondContact O-CG 3.43Å; K800-E804 PolarHBondContact O-N 3.25Å; D801-E804 PolarHBondContact O-N 3.01Å; D802-E804 VanDerWaalsContact C-N 3.33Å; D802-E804 PolarHBondContact O-N 2.93Å; E804-R808 VanDerWaalsContact C-NE 3.33Å; E804-R808 WeakPolarHBondContact O-CB 3.49Å; E804-R808 WeakPolarHBondContact O-CG 3.42Å; E804-R808 PolarHBondContact O-N 3.4Å; E804-R808 VanDerWaalsContact O-N 3.08Å; E804-R808 PolarHBondContact O-NE 2.95Å
805	E	93.6	Very high	94.3	Very high	96 Å²	96	62 Å²	62	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-74	-43.9	176.3	-166.2	69.4	-88.3	0	0	112.6	D801 D802 V803 Q807 R808 E809	D801-E805 WeakPolarHBondContact O-CB 3.33Å; D801-E805 PolarHBondContact O-N 3.48Å; D802-E805 PolarHBondContact O-N 3.32Å; V803-E805 VanDerWaalsContact C-N 3.33Å; V803-E805 PolarHBondContact O-N 2.94Å; E805-Q807 VanDerWaalsContact C-N 3.25Å; E805-Q807 PolarHBondContact O-N 2.96Å; E805-R808 VanDerWaalsContact CD-CZ 3.44Å; E805-R808 CarbonylContact O-C 3.57Å; E805-R808 WeakPolarHBondContact O-CA 3.49Å; E805-R808 WeakPolarHBondContact O-CB 3.45Å; E805-R808 PolarHBondContact O-N 3.03Å; E805-R808 WeakPolarHBondContact OE1-CB 3.31Å; E805-R808 IonicContact OE1-CZ 2.65Å; E805-R808 VanDerWaalsContact OE1-CZ 3.3Å; E805-R808 IonicContact OE1-NE 3.39Å; E805-R808 IonicContact OE1-NH1 3.58Å; E805-R808 PolarHBondContact OE1-NH1 3Å; E805-R808 IonicContact OE2-CZ 3.18Å; E805-R808 IonicContact OE2-NH1 3.26Å; E805-R808 PolarHBondContact OE2-NH1 2.71Å; E805-R808 IonicContact OE2-NH2 3.55Å; E805-E809 PolarHBondContact O-N 3.18Å
806	I	95.3	Very high	94.2	Very high	63 Å²	63	65 Å²	65	32%	0.323	31%	0.305	S	S	.	.	H	α-helix	trans	-55.2	-45.2	173.9	-69.2	164.6	0	0	0	109.8	D802 R808 R810	D802-I806 WeakPolarHBondContact O-CG1 3.3Å; D802-I806 PolarHBondContact O-N 2.74Å; I806-R808 VanDerWaalsContact C-N 3.35Å; I806-R808 PolarHBondContact O-N 3.05Å; I806-R810 VanDerWaalsContact O-CB 3.24Å; I806-R810 WeakPolarHBondContact O-CB 3.32Å; I806-R810 PolarHBondContact O-N 3.13Å
807	Q	93.9	Very high	94.2	Very high	16 Å²	16	71.5 Å²	71.5	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-32.7	173.2	176.5	177.1	-136	0	0	113.5	V577 H600 V803 E805 R811	V577-Q807 VanDerWaalsContact CA-OE1 3.29Å; V577-Q807 HydrophobicContact CB-CB 4.44Å; V577-Q807 HydrophobicContact CB-CG 4.44Å; V577-Q807 HydrophobicContact CG1-CB 4.33Å; H600-Q807 PolarHBondContact CE1-NE2 3.02Å; H600-Q807 PolarHBondContact ND1-OE1 2.92Å; V803-Q807 WeakPolarHBondContact O-CB 3.44Å; V803-Q807 PolarHBondContact O-N 2.66Å; V803-Q807 VanDerWaalsContact O-N 3.13Å; E805-Q807 VanDerWaalsContact C-N 3.25Å; E805-Q807 PolarHBondContact O-N 2.96Å; Q807-R811 VanDerWaalsContact O-CG 3.32Å; Q807-R811 WeakPolarHBondContact O-CG 3.43Å; Q807-R811 PolarHBondContact O-N 2.94Å; Q807-R811 PolarHBondContact O-NE 3.32Å
808	R	91.8	Very high	94.1	Very high	97 Å²	97	73 Å²	73	37%	0.366	35%	0.354	S	S	.	.	H	α-helix	trans	-71.6	-47.9	177.9	-80.8	173	-79.6	141.2	-11.5	111.6	D801 E804 E805 I806 R811 K812	D801-R808 PolarHBondContact O-NH2 3.24Å; E804-R808 VanDerWaalsContact C-NE 3.33Å; E804-R808 WeakPolarHBondContact O-CB 3.49Å; E804-R808 WeakPolarHBondContact O-CG 3.42Å; E804-R808 PolarHBondContact O-N 3.4Å; E804-R808 VanDerWaalsContact O-N 3.08Å; E804-R808 PolarHBondContact O-NE 2.95Å; E805-R808 VanDerWaalsContact CD-CZ 3.44Å; E805-R808 CarbonylContact O-C 3.57Å; E805-R808 WeakPolarHBondContact O-CA 3.49Å; E805-R808 WeakPolarHBondContact O-CB 3.45Å; E805-R808 PolarHBondContact O-N 3.03Å; E805-R808 WeakPolarHBondContact OE1-CB 3.31Å; E805-R808 IonicContact OE1-CZ 2.65Å; E805-R808 VanDerWaalsContact OE1-CZ 3.3Å; E805-R808 IonicContact OE1-NE 3.39Å; E805-R808 IonicContact OE1-NH1 3.58Å; E805-R808 PolarHBondContact OE1-NH1 3Å; E805-R808 IonicContact OE2-CZ 3.18Å; E805-R808 IonicContact OE2-NH1 3.26Å; E805-R808 PolarHBondContact OE2-NH1 2.71Å; E805-R808 IonicContact OE2-NH2 3.55Å; I806-R808 VanDerWaalsContact C-N 3.35Å; I806-R808 PolarHBondContact O-N 3.05Å; R808-R811 PolarHBondContact O-N 3.47Å; R808-K812 WeakPolarHBondContact O-CB 3.29Å; R808-K812 PolarHBondContact O-N 3.49Å; R808-K812 VanDerWaalsContact O-N 3.11Å
809	E	94.6	Very high	94	Very high	59 Å²	59	69.5 Å²	69.5	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-69.4	-40	177	-174.6	63.4	-138.3	0	0	111.7	E805 R811 K812 Q813 K816	E805-E809 PolarHBondContact O-N 3.18Å; E809-R811 VanDerWaalsContact C-N 3.32Å; E809-R811 PolarHBondContact O-N 2.97Å; E809-K812 CarbonylContact O-C 3.6Å; E809-K812 WeakPolarHBondContact O-CB 3.34Å; E809-K812 PolarHBondContact O-N 3.18Å; E809-K812 VanDerWaalsContact O-N 3.09Å; E809-K812 IonicContact OE1-NZ 2.77Å; E809-K812 WeakPolarHBondContact OE2-CD 3.32Å; E809-K812 WeakPolarHBondContact OE2-CE 3.45Å; E809-K812 IonicContact OE2-NZ 3.51Å; E809-K812 PolarHBondContact OE2-NZ 3.26Å; E809-Q813 HydrophobicContact CG-CG 4.32Å; E809-Q813 WeakPolarHBondContact O-CG 3.43Å; E809-Q813 PolarHBondContact O-N 3.01Å; E809-K816 IonicContact OE1-NZ 3.56Å; E809-K816 PolarHBondContact OE1-NZ 3.01Å
810	R	93.7	Very high	93.5	Very high	50 Å²	50	76 Å²	76	19%	0.189	38%	0.376	C	S	.	.	H	α-helix	trans	-55.7	-43.9	175	-179.7	174.5	169.7	-126.3	-1.6	112.3	L578 I806 Q813 L814 H821 T859	L578-R810 PolarHBondContact O-NH1 2.92Å; I806-R810 VanDerWaalsContact O-CB 3.24Å; I806-R810 WeakPolarHBondContact O-CB 3.32Å; I806-R810 PolarHBondContact O-N 3.13Å; R810-Q813 PolarHBondContact O-N 2.73Å; R810-L814 HydrophobicContact CG-CD1 4.4Å; R810-L814 WeakPolarHBondContact O-CG 3.34Å; R810-L814 PolarHBondContact O-N 3.47Å; R810-H821 PolarHBondContact NH2-ND1 2.83Å; R810-T859 VanDerWaalsContact CZ-CG2 3.43Å
811	R	90.9	Very high	93.3	Very high	64 Å²	64	77.6 Å²	77.6	24%	0.242	38%	0.383	C	S	.	.	H	α-helix	trans	-66.6	-38.8	175.7	-74.5	-178.9	-66.8	165.4	-13.8	113	L578 H600 H601 Q807 R808 E809 Q813 L814 A815	L578-R811 HydrophobicContact CD2-CG 4.22Å; H600-R811 PolarHBondContact CD2-NH1 2.78Å; H600-R811 PolarHBondContact NE2-NH1 2.67Å; H601-R811 PolarHBondContact NE2-NH1 2.95Å; Q807-R811 VanDerWaalsContact O-CG 3.32Å; Q807-R811 WeakPolarHBondContact O-CG 3.43Å; Q807-R811 PolarHBondContact O-N 2.94Å; Q807-R811 PolarHBondContact O-NE 3.32Å; R808-R811 PolarHBondContact O-N 3.47Å; E809-R811 VanDerWaalsContact C-N 3.32Å; E809-R811 PolarHBondContact O-N 2.97Å; R811-Q813 VanDerWaalsContact C-N 3.31Å; R811-L814 PolarHBondContact O-N 3.24Å; R811-A815 WeakPolarHBondContact O-CB 3.42Å; R811-A815 PolarHBondContact O-N 3.02Å
812	K	92.8	Very high	93.3	Very high	113 Å²	113	80.5 Å²	80.5	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-66.2	-32.9	175.3	-173.8	-163.2	-177.2	-174.9	0	111.8	R808 E809 K816	R808-K812 WeakPolarHBondContact O-CB 3.29Å; R808-K812 PolarHBondContact O-N 3.49Å; R808-K812 VanDerWaalsContact O-N 3.11Å; E809-K812 CarbonylContact O-C 3.6Å; E809-K812 WeakPolarHBondContact O-CB 3.34Å; E809-K812 PolarHBondContact O-N 3.18Å; E809-K812 VanDerWaalsContact O-N 3.09Å; E809-K812 IonicContact OE1-NZ 2.77Å; E809-K812 WeakPolarHBondContact OE2-CD 3.32Å; E809-K812 WeakPolarHBondContact OE2-CE 3.45Å; E809-K812 IonicContact OE2-NZ 3.51Å; E809-K812 PolarHBondContact OE2-NZ 3.26Å; K812-K816 VanDerWaalsContact O-CG 3.23Å; K812-K816 WeakPolarHBondContact O-CG 3.49Å; K812-K816 PolarHBondContact O-N 2.93Å
813	Q	93.8	Very high	93.3	Very high	88 Å²	88	77 Å²	77	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-70.9	-45.2	173.2	-70.1	178.5	13.6	0	0	112.6	E809 R810 R811 K816 R817	E809-Q813 HydrophobicContact CG-CG 4.32Å; E809-Q813 WeakPolarHBondContact O-CG 3.43Å; E809-Q813 PolarHBondContact O-N 3.01Å; R810-Q813 PolarHBondContact O-N 2.73Å; R811-Q813 VanDerWaalsContact C-N 3.31Å; Q813-K816 WeakPolarHBondContact O-CB 3.43Å; Q813-K816 PolarHBondContact O-N 3.03Å; Q813-R817 PolarHBondContact O-N 3.47Å
814	L	91.8	Very high	93.4	Very high	22 Å²	22	80.2 Å²	80.2	12%	0.115	39%	0.391	C	S	.	.	H	α-helix	trans	-56.1	-50.3	171.9	-75.2	163.3	0	0	0	111	R810 R811 K816 R817 G818 E819 H821	R810-L814 HydrophobicContact CG-CD1 4.4Å; R810-L814 WeakPolarHBondContact O-CG 3.34Å; R810-L814 PolarHBondContact O-N 3.47Å; R811-L814 PolarHBondContact O-N 3.24Å; L814-K816 VanDerWaalsContact C-N 3.32Å; L814-K816 PolarHBondContact O-N 3.32Å; L814-R817 PolarHBondContact O-N 3.12Å; L814-G818 PolarHBondContact O-N 3.18Å; L814-G818 VanDerWaalsContact O-N 3.13Å; L814-E819 CarbonylContact C-O 3.56Å; L814-E819 HydrophobicContact CD2-CB 3.77Å; L814-E819 PolarHBondContact O-N 3.03Å; L814-H821 HydrophobicContact CD1-CB 4.34Å
815	A	91.9	Very high	93.7	Very high	76 Å²	76	77.8 Å²	77.8	63%	0.628	38%	0.38	S	S	*	.	H	α-helix	trans	-61.3	-34.1	178.1	0	0	0	0	0	113.8	R811 R817 G818	R811-A815 WeakPolarHBondContact O-CB 3.42Å; R811-A815 PolarHBondContact O-N 3.02Å; A815-R817 VanDerWaalsContact C-N 3.26Å; A815-R817 PolarHBondContact O-N 3.44Å; A815-G818 PolarHBondContact O-N 3.34Å
816	K	95.4	Very high	93.9	Very high	145 Å²	145	73.4 Å²	73.4	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-64.2	-28	172.7	-78.8	164.9	-178.9	168.4	0	113	E809 K812 Q813 L814	E809-K816 IonicContact OE1-NZ 3.56Å; E809-K816 PolarHBondContact OE1-NZ 3.01Å; K812-K816 VanDerWaalsContact O-CG 3.23Å; K812-K816 WeakPolarHBondContact O-CG 3.49Å; K812-K816 PolarHBondContact O-N 2.93Å; Q813-K816 WeakPolarHBondContact O-CB 3.43Å; Q813-K816 PolarHBondContact O-N 3.03Å; L814-K816 VanDerWaalsContact C-N 3.32Å; L814-K816 PolarHBondContact O-N 3.32Å
817	R	95.8	Very high	94	Very high	137 Å²	137	76.1 Å²	76.1	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-93.7	-7.3	179.1	-61.5	-168.2	-57.6	-94.5	-0.6	113.5	Q813 L814 A815 E819	Q813-R817 PolarHBondContact O-N 3.47Å; L814-R817 PolarHBondContact O-N 3.12Å; A815-R817 VanDerWaalsContact C-N 3.26Å; A815-R817 PolarHBondContact O-N 3.44Å; R817-E819 VanDerWaalsContact C-N 3.27Å; R817-E819 HydrophobicContact CB-CG 4.01Å; R817-E819 WeakPolarHBondContact CB-OE1 3.32Å; R817-E819 VanDerWaalsContact CD-OE1 3.3Å; R817-E819 WeakPolarHBondContact CD-OE1 3.42Å; R817-E819 IonicContact CZ-OE1 3.77Å; R817-E819 IonicContact CZ-OE2 3.95Å; R817-E819 VanDerWaalsContact CZ-OE2 3.26Å; R817-E819 IonicContact NE-OE1 2.83Å; R817-E819 PolarHBondContact NE-OE1 3.42Å; R817-E819 IonicContact NE-OE2 3.01Å; R817-E819 PolarHBondContact NE-OE2 2.86Å; R817-E819 IonicContact NH2-OE1 3.75Å; R817-E819 IonicContact NH2-OE2 3.3Å; R817-E819 PolarHBondContact NH2-OE2 3.48Å
818	G	93.4	Very high	94.1	Very high	72 Å²	72	81 Å²	81	74%	0.742	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	17.3	-171.9	0	0	0	0	0	113.6	L814 A815	L814-G818 PolarHBondContact O-N 3.18Å; L814-G818 VanDerWaalsContact O-N 3.13Å; A815-G818 PolarHBondContact O-N 3.34Å
819	E	92.8	Very high	94.2	Very high	89 Å²	89	77.8 Å²	77.8	42%	0.416	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-92.6	142.1	-179.1	-71.2	165.4	-149.3	0	0	111.4	L814 R817	L814-E819 CarbonylContact C-O 3.56Å; L814-E819 HydrophobicContact CD2-CB 3.77Å; L814-E819 PolarHBondContact O-N 3.03Å; R817-E819 VanDerWaalsContact C-N 3.27Å; R817-E819 HydrophobicContact CB-CG 4.01Å; R817-E819 WeakPolarHBondContact CB-OE1 3.32Å; R817-E819 VanDerWaalsContact CD-OE1 3.3Å; R817-E819 WeakPolarHBondContact CD-OE1 3.42Å; R817-E819 IonicContact CZ-OE1 3.77Å; R817-E819 IonicContact CZ-OE2 3.95Å; R817-E819 VanDerWaalsContact CZ-OE2 3.26Å; R817-E819 IonicContact NE-OE1 2.83Å; R817-E819 PolarHBondContact NE-OE1 3.42Å; R817-E819 IonicContact NE-OE2 3.01Å; R817-E819 PolarHBondContact NE-OE2 2.86Å; R817-E819 IonicContact NH2-OE1 3.75Å; R817-E819 IonicContact NH2-OE2 3.3Å; R817-E819 PolarHBondContact NH2-OE2 3.48Å
820	E	88.8	Confident	94.2	Very high	177 Å²	177	81.2 Å²	81.2	83%	0.827	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-96.2	159.1	163.6	-62.8	-162.3	151.6	0	0	110.7	I822	E820-I822 PolarHBondContact O-N 2.95Å
821	H	91.2	Very high	93.8	Very high	41 Å²	41	80.4 Å²	80.4	19%	0.19	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-75	122.6	170.7	172.1	58	0	0	0	110	L578 R810 L814 P823	L578-H821 VanDerWaalsContact CD1-CD2 3.47Å; L578-H821 WeakPolarHBondContact CD1-CD2 3.34Å; L578-H821 HydrophobicContact CD2-CB 3.76Å; L578-H821 HydrophobicContact CG-CB 4.1Å; L578-H821 VanDerWaalsContact CG-CD2 3.45Å; L578-H821 WeakPolarHBondContact CG-CD2 3.39Å; R810-H821 PolarHBondContact NH2-ND1 2.83Å; L814-H821 HydrophobicContact CD1-CB 4.34Å; H821-P823 WeakPolarHBondContact O-CD 3.16Å
822	I	93.9	Very high	93.4	Very high	147 Å²	147	82.5 Å²	82.5	75%	0.754	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-93.1	117.4	169.7	-56.5	174.3	0	0	0	107.8	E820	E820-I822 PolarHBondContact O-N 2.95Å
823	P	96.8	Very high	92.9	Very high	11 Å²	11	81.4 Å²	81.4	7%	0.071	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.6	172.6	-22.4	36.5	0	0	0	111.5	E596 V598 H821 W838	E596-P823 HydrophobicContact CG-CB 4.48Å; E596-P823 WeakPolarHBondContact OE1-CA 3.47Å; V598-P823 HydrophobicContact CB-CB 4.17Å; V598-P823 HydrophobicContact CB-CG 3.75Å; V598-P823 HydrophobicContact CG1-CB 3.89Å; V598-P823 HydrophobicContact CG1-CG 4.04Å; V598-P823 WeakPolarHBondContact O-CG 3.43Å; H821-P823 WeakPolarHBondContact O-CD 3.16Å; P823-W838 HydrophobicContact CB-CZ3 4.33Å; P823-W838 HydrophobicContact CG-CE3 4.48Å; P823-W838 HydrophobicContact CG-CH2 3.78Å; P823-W838 HydrophobicContact CG-CZ3 3.62Å
824	R	97.4	Very high	92.6	Very high	68 Å²	68	79 Å²	79	26%	0.257	43%	0.427	S	S	.	.	S	Bend	trans	-88.2	-32.1	-166.8	-173.9	175.6	-179	-172	10	113.3	E596 N841 A857 N858	E596-R824 PolarHBondContact OE1-N 3.09Å; E596-R824 PolarHBondContact OE2-N 2.55Å; R824-N841 PolarHBondContact O-ND2 3.04Å; R824-A857 PolarHBondContact NH2-O 3.25Å; R824-N858 PolarHBondContact NH1-OD1 2.96Å; R824-N858 PolarHBondContact NH2-OD1 2.75Å
825	F	98.2	Very high	92.5	Very high	2 Å²	2	82 Å²	82	1%	0.009	44%	0.436	C	S	.	.	S	Bend	trans	-118	-16	-170.2	-54.5	-67.1	0	0	0	113.1	T581 E596 N841 Y844 L847 F853	T581-F825 HydrophobicContact CG2-CD2 3.93Å; T581-F825 HydrophobicContact CG2-CE2 3.95Å; E596-F825 PolarHBondContact OE2-N 3.3Å; F825-N841 PolarHBondContact O-N 3.05Å; F825-N841 PolarHBondContact O-OD1 3.44Å; F825-N841 VanDerWaalsContact O-OD1 3.06Å; F825-Y844 HydrophobicContact CB-CD2 4.39Å; F825-Y844 AromaticContact CD1-CD2 3.59Å; F825-Y844 HydrophobicContact CD1-CD2 3.59Å; F825-Y844 HydrophobicContact CD1-CG 4.16Å; F825-Y844 AromaticContact CD2-CD2 3.7Å; F825-Y844 HydrophobicContact CD2-CD2 3.7Å; F825-Y844 HydrophobicContact CD2-CE2 4.2Å; F825-Y844 AromaticContact CE1-CD2 3.58Å; F825-Y844 HydrophobicContact CE1-CD2 3.58Å; F825-Y844 HydrophobicContact CE1-CE2 4.38Å; F825-Y844 HydrophobicContact CE1-CG 4.3Å; F825-Y844 AromaticContact CE2-CD2 3.7Å; F825-Y844 HydrophobicContact CE2-CD2 3.7Å; F825-Y844 AromaticContact CE2-CE2 3.91Å; F825-Y844 HydrophobicContact CE2-CE2 3.91Å; F825-Y844 AromaticContact CG-CD2 3.62Å; F825-Y844 HydrophobicContact CG-CD2 3.62Å; F825-Y844 HydrophobicContact CG-CG 4.42Å; F825-Y844 AromaticContact CZ-CD2 3.62Å; F825-Y844 HydrophobicContact CZ-CD2 3.62Å; F825-Y844 AromaticContact CZ-CE2 3.99Å; F825-Y844 HydrophobicContact CZ-CE2 3.99Å; F825-L847 HydrophobicContact CE1-CD1 4.19Å; F825-F853 AromaticContact CE1-CE1 3.85Å; F825-F853 HydrophobicContact CE1-CE1 3.85Å; F825-F853 HydrophobicContact CE1-CZ 4.22Å; F825-F853 AromaticContact CZ-CE1 3.63Å; F825-F853 HydrophobicContact CZ-CE1 3.63Å; F825-F853 HydrophobicContact CZ-CZ 4.04Å
826	F	98.4	Very high	92.5	Very high	4 Å²	4	81.1 Å²	81.1	2%	0.018	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.9	175.4	-68	-100.1	0	0	0	111.6	V594 E596 V598 A606 H608 W838 L839	V594-F826 HydrophobicContact CG1-CZ 4.47Å; E596-F826 HydrophobicContact CB-CD2 3.57Å; E596-F826 HydrophobicContact CB-CE2 3.83Å; E596-F826 PolarHBondContact OE2-N 3.45Å; V598-F826 HydrophobicContact CG1-CB 3.65Å; V598-F826 HydrophobicContact CG1-CD2 4.41Å; V598-F826 HydrophobicContact CG1-CG 4.16Å; A606-F826 HydrophobicContact CB-CB 4.35Å; A606-F826 HydrophobicContact CB-CD1 3.52Å; A606-F826 HydrophobicContact CB-CD2 4.33Å; A606-F826 HydrophobicContact CB-CE1 3.82Å; A606-F826 HydrophobicContact CB-CG 3.81Å; A606-F826 HydrophobicContact CB-CZ 4.37Å; H608-F826 HydrophobicContact CB-CE1 3.9Å; H608-F826 HydrophobicContact CB-CZ 3.98Å; F826-W838 HydrophobicContact CB-CE3 4.26Å; F826-L839 CarbonylContact C-O 3.52Å; F826-L839 VanDerWaalsContact CA-O 3.29Å; F826-L839 WeakPolarHBondContact CA-O 3.49Å
827	K	97	Very high	92.5	Very high	120 Å²	120	75.3 Å²	75.3	52%	0.522	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.3	174.5	60.1	-178.8	177.6	-178.6	0	110.2	L839 N841	K827-L839 PolarHBondContact N-O 3.28Å; K827-L839 PolarHBondContact O-N 3.21Å; K827-N841 HydrophobicContact CD-CB 4.48Å
828	K	95.6	Very high	92.5	Very high	120 Å²	120	70.2 Å²	70.2	52%	0.522	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.9	171.6	-167.1	-178.9	179.5	-173.1	0	109.4	D836 W838	K828-D836 WeakPolarHBondContact CE-OD2 3.49Å; K828-D836 IonicContact NZ-OD1 2.72Å; K828-D836 IonicContact NZ-OD2 3.15Å; K828-D836 PolarHBondContact NZ-OD2 3.23Å; K828-W838 HydrophobicContact CB-CD2 4.26Å; K828-W838 HydrophobicContact CB-CE3 4.03Å; K828-W838 HydrophobicContact CB-CH2 3.9Å; K828-W838 HydrophobicContact CB-CZ2 4.14Å; K828-W838 HydrophobicContact CB-CZ3 3.84Å; K828-W838 HydrophobicContact CD-CZ2 4.35Å; K828-W838 HydrophobicContact CG-CZ2 4.3Å
829	A	94.9	Very high	92.7	Very high	28 Å²	28	69.4 Å²	69.4	23%	0.231	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	176.7	179.9	0	0	0	0	0	111.5	V837 L839	A829-V837 HydrophobicContact CB-CG2 4.11Å; A829-V837 PolarHBondContact N-O 3.34Å; A829-V837 PolarHBondContact O-N 3.33Å; A829-L839 HydrophobicContact CB-CD1 3.83Å; A829-L839 HydrophobicContact CB-CG 4.25Å
830	K	93.1	Very high	92.9	Very high	131 Å²	131	66.8 Å²	66.8	57%	0.57	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	140	166.2	-69.6	-57.7	-155.5	173.6	0	109.1	G834 R835 D836	K830-G834 WeakPolarHBondContact CD-O 3.32Å; K830-G834 WeakPolarHBondContact CE-O 3.22Å; K830-G834 PolarHBondContact NZ-O 3.03Å; K830-R835 WeakPolarHBondContact CA-O 3.41Å; K830-R835 WeakPolarHBondContact CD-O 3.46Å; K830-D836 WeakPolarHBondContact CE-OD1 3.3Å; K830-D836 IonicContact NZ-OD1 3.64Å; K830-D836 PolarHBondContact NZ-OD1 2.97Å
831	D	86.2	Confident	93.3	Very high	33 Å²	33	61.1 Å²	61.1	18%	0.176	32%	0.322	C	S	.	.			trans	-88.9	-178.8	166.2	63.3	22.9	0	0	0	112	C833 G834 R835 V837	D831-C833 PolarHBondContact O-N 3.32Å; D831-C833 WeakPolarHBondContact OD1-CA 3.42Å; D831-C833 PolarHBondContact OD1-N 2.76Å; D831-G834 PolarHBondContact O-N 3.36Å; D831-G834 PolarHBondContact OD1-N 2.63Å; D831-R835 PolarHBondContact N-O 3.16Å; D831-R835 WeakPolarHBondContact OD1-CB 3.4Å; D831-R835 PolarHBondContact OD1-N 3.4Å; D831-R835 IonicContact OD1-NE 3.5Å; D831-R835 WeakPolarHBondContact OD2-CB 3.49Å; D831-R835 IonicContact OD2-CZ 3.69Å; D831-R835 IonicContact OD2-NE 2.88Å; D831-R835 PolarHBondContact OD2-NE 2.69Å; D831-R835 IonicContact OD2-NH2 2.75Å; D831-R835 PolarHBondContact OD2-NH2 2.77Å; D831-V837 HydrophobicContact CB-CG1 4.21Å; D831-V837 HydrophobicContact CB-CG2 4.34Å; D831-V837 WeakPolarHBondContact OD2-CG1 3.48Å
832	S	81.9	Confident	93.6	Very high	109 Å²	109	60.7 Å²	60.7	76%	0.762	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.6	177.5	49.2	0	0	0	0	113.9
833	C	82.4	Confident	93.8	Very high	89 Å²	89	55.8 Å²	55.8	60%	0.601	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	4.5	175.6	-62	0	0	0	0	113.1	D831 R835	D831-C833 PolarHBondContact O-N 3.32Å; D831-C833 WeakPolarHBondContact OD1-CA 3.42Å; D831-C833 PolarHBondContact OD1-N 2.76Å; C833-R835 HydrophobicContact CB-CG 3.92Å; C833-R835 PolarHBondContact O-N 3.13Å
834	G	86.9	Confident	93.8	Very high	39 Å²	39	55.4 Å²	55.4	40%	0.402	30%	0.303	S	S	.	.			trans	68.8	14.1	-177.2	0	0	0	0	0	114.3	K830 D831	K830-G834 WeakPolarHBondContact CD-O 3.32Å; K830-G834 WeakPolarHBondContact CE-O 3.22Å; K830-G834 PolarHBondContact NZ-O 3.03Å; D831-G834 PolarHBondContact O-N 3.36Å; D831-G834 PolarHBondContact OD1-N 2.63Å
835	R	89.7	Confident	93.8	Very high	84 Å²	84	53.1 Å²	53.1	32%	0.317	29%	0.294	S	S	.	.			trans	-74.2	147.1	175.7	-49.7	172.1	-62	-163	4.7	108.6	E651 K830 D831 C833 V837	E651-R835 IonicContact OE1-CZ 2.75Å; E651-R835 IonicContact OE1-NH2 2.93Å; E651-R835 PolarHBondContact OE1-NH2 3.18Å; E651-R835 IonicContact OE2-CZ 2.82Å; E651-R835 IonicContact OE2-NH1 3.94Å; E651-R835 PolarHBondContact OE2-NH1 3.3Å; E651-R835 IonicContact OE2-NH2 3.97Å; E651-R835 PolarHBondContact OE2-NH2 2.97Å; K830-R835 WeakPolarHBondContact CA-O 3.41Å; K830-R835 WeakPolarHBondContact CD-O 3.46Å; D831-R835 PolarHBondContact N-O 3.16Å; D831-R835 WeakPolarHBondContact OD1-CB 3.4Å; D831-R835 PolarHBondContact OD1-N 3.4Å; D831-R835 IonicContact OD1-NE 3.5Å; D831-R835 WeakPolarHBondContact OD2-CB 3.49Å; D831-R835 IonicContact OD2-CZ 3.69Å; D831-R835 IonicContact OD2-NE 2.88Å; D831-R835 PolarHBondContact OD2-NE 2.69Å; D831-R835 IonicContact OD2-NH2 2.75Å; D831-R835 PolarHBondContact OD2-NH2 2.77Å; C833-R835 HydrophobicContact CB-CG 3.92Å; C833-R835 PolarHBondContact O-N 3.13Å; R835-V837 PolarHBondContact O-N 3.06Å
836	D	92.6	Very high	93.8	Very high	58 Å²	58	60.1 Å²	60.1	31%	0.31	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.9	172.2	-78.6	-4.1	0	0	0	108.7	R621 K828 K830	R621-D836 PolarHBondContact NH2-O 2.93Å; K828-D836 WeakPolarHBondContact CE-OD2 3.49Å; K828-D836 IonicContact NZ-OD1 2.72Å; K828-D836 IonicContact NZ-OD2 3.15Å; K828-D836 PolarHBondContact NZ-OD2 3.23Å; K830-D836 WeakPolarHBondContact CE-OD1 3.3Å; K830-D836 IonicContact NZ-OD1 3.64Å; K830-D836 PolarHBondContact NZ-OD1 2.97Å
837	V	94.9	Very high	93.7	Very high	22 Å²	22	62.1 Å²	62.1	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	162.7	176.7	-64.2	0	0	0	0	111.1	A829 D831 R835 L839	A829-V837 HydrophobicContact CB-CG2 4.11Å; A829-V837 PolarHBondContact N-O 3.34Å; A829-V837 PolarHBondContact O-N 3.33Å; D831-V837 HydrophobicContact CB-CG1 4.21Å; D831-V837 HydrophobicContact CB-CG2 4.34Å; D831-V837 WeakPolarHBondContact OD2-CG1 3.48Å; R835-V837 PolarHBondContact O-N 3.06Å; V837-L839 HydrophobicContact CG2-CD2 4.39Å; V837-L839 HydrophobicContact CG2-CG 4.23Å
838	W	96.9	Very high	93.7	Very high	30 Å²	30	58 Å²	58	11%	0.114	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	171.1	-67.1	90	0	0	0	110.4	V598 A606 D619 P823 F826 K828	V598-W838 HydrophobicContact CB-CD2 3.85Å; V598-W838 HydrophobicContact CB-CE3 3.95Å; V598-W838 HydrophobicContact CB-CG 4.34Å; V598-W838 HydrophobicContact CB-CH2 4.33Å; V598-W838 HydrophobicContact CB-CZ2 4.24Å; V598-W838 HydrophobicContact CB-CZ3 4.19Å; V598-W838 HydrophobicContact CG1-CD2 4.17Å; V598-W838 HydrophobicContact CG1-CE3 4Å; V598-W838 HydrophobicContact CG1-CG 4.5Å; V598-W838 HydrophobicContact CG1-CZ3 4.48Å; V598-W838 HydrophobicContact CG2-CB 4.48Å; V598-W838 HydrophobicContact CG2-CD2 3.72Å; V598-W838 HydrophobicContact CG2-CE3 4.33Å; V598-W838 HydrophobicContact CG2-CG 3.77Å; V598-W838 HydrophobicContact CG2-CZ2 4.34Å; A606-W838 HydrophobicContact CB-CB 3.81Å; D619-W838 HydrophobicContact CB-CB 3.84Å; D619-W838 HydrophobicContact CB-CG 4.36Å; P823-W838 HydrophobicContact CB-CZ3 4.33Å; P823-W838 HydrophobicContact CG-CE3 4.48Å; P823-W838 HydrophobicContact CG-CH2 3.78Å; P823-W838 HydrophobicContact CG-CZ3 3.62Å; F826-W838 HydrophobicContact CB-CE3 4.26Å; K828-W838 HydrophobicContact CB-CD2 4.26Å; K828-W838 HydrophobicContact CB-CE3 4.03Å; K828-W838 HydrophobicContact CB-CH2 3.9Å; K828-W838 HydrophobicContact CB-CZ2 4.14Å; K828-W838 HydrophobicContact CB-CZ3 3.84Å; K828-W838 HydrophobicContact CD-CZ2 4.35Å; K828-W838 HydrophobicContact CG-CZ2 4.3Å
839	L	96.9	Very high	93.7	Very high	56 Å²	56	57.6 Å²	57.6	29%	0.293	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.3	-177.4	-57.9	177.4	0	0	0	109.7	F826 K827 A829 V837	F826-L839 CarbonylContact C-O 3.52Å; F826-L839 VanDerWaalsContact CA-O 3.29Å; F826-L839 WeakPolarHBondContact CA-O 3.49Å; K827-L839 PolarHBondContact N-O 3.28Å; K827-L839 PolarHBondContact O-N 3.21Å; A829-L839 HydrophobicContact CB-CD1 3.83Å; A829-L839 HydrophobicContact CB-CG 4.25Å; V837-L839 HydrophobicContact CG2-CD2 4.39Å; V837-L839 HydrophobicContact CG2-CG 4.23Å
840	T	97.5	Very high	93.5	Very high	33 Å²	33	62.4 Å²	62.4	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	145.8	172	-176.4	0	0	0	0	111.3	H608 G842	H608-T840 VanDerWaalsContact CE1-CG2 3.47Å; H608-T840 WeakPolarHBondContact CE1-CG2 3.31Å; H608-T840 WeakPolarHBondContact ND1-CG2 3.41Å; T840-G842 PolarHBondContact OG1-N 2.99Å
841	N	97.4	Very high	93.5	Very high	58 Å²	58	58.7 Å²	58.7	31%	0.31	33%	0.331	S	S	.	.			trans	-92.4	-1.3	167	69.7	14.7	0	0	0	112.9	R824 F825 K827 T843	R824-N841 PolarHBondContact O-ND2 3.04Å; F825-N841 PolarHBondContact O-N 3.05Å; F825-N841 PolarHBondContact O-OD1 3.44Å; F825-N841 VanDerWaalsContact O-OD1 3.06Å; K827-N841 HydrophobicContact CD-CB 4.48Å; N841-T843 VanDerWaalsContact C-N 3.3Å; N841-T843 PolarHBondContact O-N 3.42Å; N841-T843 WeakPolarHBondContact OD1-CB 3.45Å; N841-T843 WeakPolarHBondContact OD1-CG2 3.45Å; N841-T843 PolarHBondContact OD1-N 3.14Å; N841-T843 PolarHBondContact OD1-OG1 3.22Å
842	G	96.6	Very high	93.9	Very high	32 Å²	32	57.7 Å²	57.7	33%	0.33	33%	0.329	S	S	.	.	S	Bend	trans	70.9	19.6	177.5	0	0	0	0	0	114.8	T840 K846	T840-G842 PolarHBondContact OG1-N 2.99Å; G842-K846 WeakPolarHBondContact O-CD 3.5Å; G842-K846 VanDerWaalsContact O-CE 3.31Å; G842-K846 WeakPolarHBondContact O-CE 3.32Å
843	T	97.6	Very high	94.5	Very high	45 Å²	45	52.6 Å²	52.6	28%	0.276	29%	0.293	S	S	.	.			trans	-100	-25.1	-178.8	66.3	0	0	0	0	114.8	N841 W845 K846 L847	N841-T843 VanDerWaalsContact C-N 3.3Å; N841-T843 PolarHBondContact O-N 3.42Å; N841-T843 WeakPolarHBondContact OD1-CB 3.45Å; N841-T843 WeakPolarHBondContact OD1-CG2 3.45Å; N841-T843 PolarHBondContact OD1-N 3.14Å; N841-T843 PolarHBondContact OD1-OG1 3.22Å; T843-W845 PolarHBondContact O-N 3.4Å; T843-K846 PolarHBondContact O-N 2.89Å; T843-L847 WeakPolarHBondContact O-CB 3.32Å; T843-L847 WeakPolarHBondContact O-CG 3.28Å; T843-L847 PolarHBondContact O-N 2.93Å
844	Y	98.3	Very high	95	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-59.5	-170	-172.8	-89.8	0	0	0	113.1	E583 V594 P775 F825 K846 L847 R848 F853	E583-Y844 HydrophobicContact CB-CE1 3.95Å; E583-Y844 WeakPolarHBondContact CB-OH 3.47Å; E583-Y844 WeakPolarHBondContact OE2-CE1 3.49Å; E583-Y844 PolarHBondContact OE2-OH 2.78Å; V594-Y844 HydrophobicContact CB-CD1 4.15Å; V594-Y844 HydrophobicContact CB-CE1 4.46Å; V594-Y844 HydrophobicContact CB-CG 4.28Å; V594-Y844 HydrophobicContact CG2-CD1 3.83Å; V594-Y844 HydrophobicContact CG2-CD2 3.55Å; V594-Y844 HydrophobicContact CG2-CE1 4.05Å; V594-Y844 HydrophobicContact CG2-CE2 3.78Å; V594-Y844 HydrophobicContact CG2-CG 3.58Å; P775-Y844 WeakPolarHBondContact CD-OH 3.43Å; P775-Y844 HydrophobicContact CG-CE2 4.18Å; P775-Y844 WeakPolarHBondContact CG-OH 3.46Å; F825-Y844 HydrophobicContact CB-CD2 4.39Å; F825-Y844 AromaticContact CD1-CD2 3.59Å; F825-Y844 HydrophobicContact CD1-CD2 3.59Å; F825-Y844 HydrophobicContact CD1-CG 4.16Å; F825-Y844 AromaticContact CD2-CD2 3.7Å; F825-Y844 HydrophobicContact CD2-CD2 3.7Å; F825-Y844 HydrophobicContact CD2-CE2 4.2Å; F825-Y844 AromaticContact CE1-CD2 3.58Å; F825-Y844 HydrophobicContact CE1-CD2 3.58Å; F825-Y844 HydrophobicContact CE1-CE2 4.38Å; F825-Y844 HydrophobicContact CE1-CG 4.3Å; F825-Y844 AromaticContact CE2-CD2 3.7Å; F825-Y844 HydrophobicContact CE2-CD2 3.7Å; F825-Y844 AromaticContact CE2-CE2 3.91Å; F825-Y844 HydrophobicContact CE2-CE2 3.91Å; F825-Y844 AromaticContact CG-CD2 3.62Å; F825-Y844 HydrophobicContact CG-CD2 3.62Å; F825-Y844 HydrophobicContact CG-CG 4.42Å; F825-Y844 AromaticContact CZ-CD2 3.62Å; F825-Y844 HydrophobicContact CZ-CD2 3.62Å; F825-Y844 AromaticContact CZ-CE2 3.99Å; F825-Y844 HydrophobicContact CZ-CE2 3.99Å; Y844-K846 VanDerWaalsContact C-N 3.32Å; Y844-K846 PolarHBondContact O-N 3.08Å; Y844-L847 PolarHBondContact O-N 3.34Å; Y844-R848 WeakPolarHBondContact O-CB 3.38Å; Y844-R848 PolarHBondContact O-N 3.48Å; Y844-F853 HydrophobicContact CD1-CZ 4.39Å; Y844-F853 AromaticContact CD2-CZ 3.87Å; Y844-F853 HydrophobicContact CD2-CZ 3.87Å; Y844-F853 HydrophobicContact CE1-CE2 4.2Å; Y844-F853 HydrophobicContact CE1-CZ 4.25Å; Y844-F853 HydrophobicContact CE2-CE2 4.11Å; Y844-F853 AromaticContact CE2-CZ 3.73Å; Y844-F853 HydrophobicContact CE2-CZ 3.73Å; Y844-F853 HydrophobicContact CG-CZ 4.2Å; Y844-F853 AromaticContact CZ-CE2 3.87Å; Y844-F853 AromaticContact CZ-CZ 3.92Å
845	W	97.7	Very high	95.3	Very high	20 Å²	20	56.8 Å²	56.8	8%	0.076	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-40.7	-179.5	-55.3	120.3	0	0	0	112	E583 I585 R592 F593 V594 T843 L847 R848 D849	E583-W845 HydrophobicContact CB-CH2 4.09Å; E583-W845 HydrophobicContact CB-CZ3 4.4Å; I585-W845 HydrophobicContact CD1-CZ3 4.03Å; I585-W845 HydrophobicContact CG1-CH2 4.12Å; I585-W845 HydrophobicContact CG1-CZ3 4.08Å; R592-W845 HydrophobicContact CB-CH2 3.93Å; R592-W845 HydrophobicContact CB-CZ2 3.66Å; R592-W845 HydrophobicContact CG-CD2 4.44Å; R592-W845 HydrophobicContact CG-CH2 4.42Å; R592-W845 HydrophobicContact CG-CZ2 3.72Å; R592-W845 VanDerWaalsContact CZ-CD1 3.42Å; R592-W845 VanDerWaalsContact NE-CD1 3.33Å; F593-W845 WeakPolarHBondContact O-CH2 3.5Å; V594-W845 HydrophobicContact CB-CZ2 4.06Å; V594-W845 HydrophobicContact CG1-CZ2 4.35Å; T843-W845 PolarHBondContact O-N 3.4Å; W845-L847 PolarHBondContact O-N 3.05Å; W845-R848 WeakPolarHBondContact O-CB 3.47Å; W845-R848 PolarHBondContact O-N 3.23Å; W845-D849 WeakPolarHBondContact O-CB 3.16Å; W845-D849 PolarHBondContact O-N 3.45Å
846	K	97	Very high	95.5	Very high	150 Å²	150	54.9 Å²	54.9	65%	0.652	30%	0.303	S	S	*	.	H	α-helix	trans	-58	-50.5	176.9	-59.2	179.4	-176	172.6	0	111.3	G842 T843 Y844 R848 D849 D850	G842-K846 WeakPolarHBondContact O-CD 3.5Å; G842-K846 VanDerWaalsContact O-CE 3.31Å; G842-K846 WeakPolarHBondContact O-CE 3.32Å; T843-K846 PolarHBondContact O-N 2.89Å; Y844-K846 VanDerWaalsContact C-N 3.32Å; Y844-K846 PolarHBondContact O-N 3.08Å; K846-R848 VanDerWaalsContact C-N 3.28Å; K846-R848 PolarHBondContact O-N 3.27Å; K846-D849 PolarHBondContact O-N 2.91Å; K846-D850 CarbonylContact O-C 3.54Å; K846-D850 PolarHBondContact O-N 2.97Å
847	L	97	Very high	95.5	Very high	46 Å²	46	56.9 Å²	56.9	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-70.4	-21.5	179.8	-66.9	173.9	0	0	0	113.8	F825 T843 Y844 W845 G852 F853 L856	F825-L847 HydrophobicContact CE1-CD1 4.19Å; T843-L847 WeakPolarHBondContact O-CB 3.32Å; T843-L847 WeakPolarHBondContact O-CG 3.28Å; T843-L847 PolarHBondContact O-N 2.93Å; Y844-L847 PolarHBondContact O-N 3.34Å; W845-L847 PolarHBondContact O-N 3.05Å; L847-G852 CarbonylContact O-C 3.59Å; L847-G852 WeakPolarHBondContact O-CA 3.48Å; L847-G852 PolarHBondContact O-N 3.12Å; L847-G852 VanDerWaalsContact O-N 3.12Å; L847-F853 HydrophobicContact CB-CD1 4.48Å; L847-F853 HydrophobicContact CB-CE1 3.83Å; L847-F853 HydrophobicContact CB-CZ 4.41Å; L847-L856 HydrophobicContact CB-CD1 3.93Å; L847-L856 HydrophobicContact CD2-CD1 3.92Å; L847-L856 HydrophobicContact CG-CD1 4.33Å
848	R	96.7	Very high	95.4	Very high	32 Å²	32	58.1 Å²	58.1	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-73.3	-40.5	171.3	-172.5	-168.3	-170.2	-83.4	2	111.4	E583 Y844 W845 K846 G852 F853	E583-R848 IonicContact OE1-CZ 2.93Å; E583-R848 IonicContact OE1-NE 2.73Å; E583-R848 PolarHBondContact OE1-NE 3.42Å; E583-R848 IonicContact OE1-NH2 2.7Å; E583-R848 PolarHBondContact OE1-NH2 2.83Å; E583-R848 WeakPolarHBondContact OE2-CD 3.49Å; E583-R848 IonicContact OE2-CZ 3.31Å; E583-R848 IonicContact OE2-NE 3.85Å; E583-R848 PolarHBondContact OE2-NE 3.48Å; E583-R848 IonicContact OE2-NH2 2.69Å; Y844-R848 WeakPolarHBondContact O-CB 3.38Å; Y844-R848 PolarHBondContact O-N 3.48Å; W845-R848 WeakPolarHBondContact O-CB 3.47Å; W845-R848 PolarHBondContact O-N 3.23Å; K846-R848 VanDerWaalsContact C-N 3.28Å; K846-R848 PolarHBondContact O-N 3.27Å; R848-G852 WeakPolarHBondContact O-CA 3.43Å; R848-F853 HydrophobicContact CB-CD2 4.23Å; R848-F853 HydrophobicContact CB-CE2 3.53Å; R848-F853 HydrophobicContact CB-CZ 3.96Å; R848-F853 HydrophobicContact CG-CD2 4.28Å; R848-F853 HydrophobicContact CG-CE2 3.8Å
849	D	94.5	Very high	95.1	Very high	112 Å²	112	59.2 Å²	59.2	60%	0.599	34%	0.344	S	S	*	.	H	α-helix	trans	-82.5	-43.8	-176	-58.1	-23.2	0	0	0	111.5	W845 K846	W845-D849 WeakPolarHBondContact O-CB 3.16Å; W845-D849 PolarHBondContact O-N 3.45Å; K846-D849 PolarHBondContact O-N 2.91Å
850	D	91.8	Very high	94.9	Very high	129 Å²	129	62 Å²	62	69%	0.69	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.3	126.1	175.8	-179	49.9	0	0	0	111.3	K846 G852	K846-D850 CarbonylContact O-C 3.54Å; K846-D850 PolarHBondContact O-N 2.97Å; D850-G852 VanDerWaalsContact C-N 3.3Å
851	P	92.3	Very high	94.8	Very high	53 Å²	53	60.7 Å²	60.7	34%	0.344	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.2	8.9	2.6	37.2	-38.3	0	0	0	114	N855 L856	P851-N855 HydrophobicContact CB-CB 4.08Å; P851-N855 HydrophobicContact CG-CB 4.35Å; P851-N855 PolarHBondContact O-ND2 3.17Å; P851-L856 HydrophobicContact CG-CD1 4.44Å; P851-L856 HydrophobicContact CG-CD2 3.6Å; P851-L856 HydrophobicContact CG-CG 3.93Å
852	G	94.5	Very high	94.7	Very high	12 Å²	12	61 Å²	61	12%	0.124	35%	0.352	C	S	.	.			trans	79.6	146.6	-171.3	0	0	0	0	0	112.7	L847 R848 D850 S854 N855	L847-G852 CarbonylContact O-C 3.59Å; L847-G852 WeakPolarHBondContact O-CA 3.48Å; L847-G852 PolarHBondContact O-N 3.12Å; L847-G852 VanDerWaalsContact O-N 3.12Å; R848-G852 WeakPolarHBondContact O-CA 3.43Å; D850-G852 VanDerWaalsContact C-N 3.3Å; G852-S854 VanDerWaalsContact C-N 3.25Å; G852-S854 PolarHBondContact O-N 3.41Å; G852-N855 PolarHBondContact O-N 2.61Å; G852-N855 VanDerWaalsContact O-N 3.08Å
853	F	96.1	Very high	94.6	Very high	3 Å²	3	62.5 Å²	62.5	1%	0.013	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-64.8	-24.9	-171.7	-65.4	-61.8	0	0	0	114.6	L773 P775 F825 Y844 L847 R848 N855 L856 N858	L773-F853 WeakPolarHBondContact O-CD2 3.37Å; P775-F853 HydrophobicContact CB-CB 4.07Å; P775-F853 HydrophobicContact CB-CD1 4.05Å; P775-F853 HydrophobicContact CB-CD2 3.78Å; P775-F853 HydrophobicContact CB-CE1 4.45Å; P775-F853 HydrophobicContact CB-CE2 4.18Å; P775-F853 HydrophobicContact CB-CG 3.71Å; P775-F853 VanDerWaalsContact CD-CD2 3.48Å; P775-F853 HydrophobicContact CG-CD2 4.06Å; P775-F853 HydrophobicContact CG-CE2 4.07Å; P775-F853 HydrophobicContact CG-CG 4.47Å; F825-F853 AromaticContact CE1-CE1 3.85Å; F825-F853 HydrophobicContact CE1-CE1 3.85Å; F825-F853 HydrophobicContact CE1-CZ 4.22Å; F825-F853 AromaticContact CZ-CE1 3.63Å; F825-F853 HydrophobicContact CZ-CE1 3.63Å; F825-F853 HydrophobicContact CZ-CZ 4.04Å; Y844-F853 HydrophobicContact CD1-CZ 4.39Å; Y844-F853 AromaticContact CD2-CZ 3.87Å; Y844-F853 HydrophobicContact CD2-CZ 3.87Å; Y844-F853 HydrophobicContact CE1-CE2 4.2Å; Y844-F853 HydrophobicContact CE1-CZ 4.25Å; Y844-F853 HydrophobicContact CE2-CE2 4.11Å; Y844-F853 AromaticContact CE2-CZ 3.73Å; Y844-F853 HydrophobicContact CE2-CZ 3.73Å; Y844-F853 HydrophobicContact CG-CZ 4.2Å; Y844-F853 AromaticContact CZ-CE2 3.87Å; Y844-F853 AromaticContact CZ-CZ 3.92Å; L847-F853 HydrophobicContact CB-CD1 4.48Å; L847-F853 HydrophobicContact CB-CE1 3.83Å; L847-F853 HydrophobicContact CB-CZ 4.41Å; R848-F853 HydrophobicContact CB-CD2 4.23Å; R848-F853 HydrophobicContact CB-CE2 3.53Å; R848-F853 HydrophobicContact CB-CZ 3.96Å; R848-F853 HydrophobicContact CG-CD2 4.28Å; R848-F853 HydrophobicContact CG-CE2 3.8Å; F853-N855 PolarHBondContact O-N 3.31Å; F853-L856 HydrophobicContact CD1-CD1 4.06Å; F853-L856 PolarHBondContact O-N 3.4Å; F853-N858 PolarHBondContact O-ND2 3.48Å
854	S	91.3	Very high	94.5	Very high	92 Å²	92	63.4 Å²	63.4	64%	0.643	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.1	174.1	49.7	0	0	0	0	113.3	G852	G852-S854 VanDerWaalsContact C-N 3.25Å; G852-S854 PolarHBondContact O-N 3.41Å
855	N	93.3	Very high	94.3	Very high	123 Å²	123	66.8 Å²	66.8	66%	0.658	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-92.8	6.7	-178.8	-65.6	-44.4	0	0	0	113.3	P851 G852 F853	P851-N855 HydrophobicContact CB-CB 4.08Å; P851-N855 HydrophobicContact CG-CB 4.35Å; P851-N855 PolarHBondContact O-ND2 3.17Å; G852-N855 PolarHBondContact O-N 2.61Å; G852-N855 VanDerWaalsContact O-N 3.08Å; F853-N855 PolarHBondContact O-N 3.31Å
856	L	93.6	Very high	94.1	Very high	45 Å²	45	69.6 Å²	69.6	24%	0.236	39%	0.394	C	S	.	.	S	Bend	trans	-112.5	149.8	-177.3	-65.4	174.2	0	0	0	112	L847 P851 F853 N858	L847-L856 HydrophobicContact CB-CD1 3.93Å; L847-L856 HydrophobicContact CD2-CD1 3.92Å; L847-L856 HydrophobicContact CG-CD1 4.33Å; P851-L856 HydrophobicContact CG-CD1 4.44Å; P851-L856 HydrophobicContact CG-CD2 3.6Å; P851-L856 HydrophobicContact CG-CG 3.93Å; F853-L856 HydrophobicContact CD1-CD1 4.06Å; F853-L856 PolarHBondContact O-N 3.4Å; L856-N858 PolarHBondContact O-N 2.78Å; L856-N858 PolarHBondContact O-ND2 3.25Å
857	A	93.2	Very high	93.9	Very high	100 Å²	100	64.6 Å²	64.6	83%	0.826	38%	0.378	S	S	*	.			trans	-63	123.2	164.7	0	0	0	0	0	109.4	R824	R824-A857 PolarHBondContact NH2-O 3.25Å
858	N	92.6	Very high	93.7	Very high	47 Å²	47	65.8 Å²	65.8	25%	0.251	39%	0.387	S	S	.	.			trans	-121.2	155.2	-176.6	-65.2	-57.8	0	0	0	111.4	P776 R824 F853 L856	P776-N858 WeakPolarHBondContact CD-ND2 3.45Å; P776-N858 HydrophobicContact CG-CB 3.4Å; P776-N858 VanDerWaalsContact CG-CB 3.4Å; R824-N858 PolarHBondContact NH1-OD1 2.96Å; R824-N858 PolarHBondContact NH2-OD1 2.75Å; F853-N858 PolarHBondContact O-ND2 3.48Å; L856-N858 PolarHBondContact O-N 2.78Å; L856-N858 PolarHBondContact O-ND2 3.25Å
859	T	90.9	Very high	93.5	Very high	53 Å²	53	68.2 Å²	68.2	33%	0.325	41%	0.406	S	S	.	.			trans	-77.1	130.5	170.2	-70.5	0	0	0	0	109.9	T777 R810 L861	T777-T859 WeakPolarHBondContact CG2-O 3.22Å; R810-T859 VanDerWaalsContact CZ-CG2 3.43Å; T859-L861 HydrophobicContact CG2-CD2 3.56Å; T859-L861 HydrophobicContact CG2-CG 4.06Å
860	V	93	Very high	93.4	Very high	115 Å²	115	64.8 Å²	64.8	70%	0.697	39%	0.391	S	S	*	.			trans	-81.9	133.9	166.6	-178.1	0	0	0	0	109.2
861	L	96.2	Very high	93.5	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	37%	0.366	C	S	.	.			trans	-122.3	-18.9	-175.7	-66.8	179.3	0	0	0	114.5	V577 E580 T777 T859	V577-L861 HydrophobicContact CG2-CB 4.12Å; V577-L861 HydrophobicContact CG2-CD1 3.96Å; V577-L861 HydrophobicContact CG2-CD2 3.99Å; V577-L861 HydrophobicContact CG2-CG 4.25Å; E580-L861 HydrophobicContact CB-CD1 4.18Å; T777-L861 HydrophobicContact CG2-CD1 3.65Å; T777-L861 HydrophobicContact CG2-CG 4.16Å; T859-L861 HydrophobicContact CG2-CD2 3.56Å; T859-L861 HydrophobicContact CG2-CG 4.06Å
862	W	95.4	Very high	93.6	Very high	65 Å²	65	60.1 Å²	60.1	25%	0.246	37%	0.368	C	S	.	.			trans	-158.6	0	-170.4	46	65.1	0	0	0	113.1	E580 P776 L781 R782 P783 K799 V803	E580-W862 HydrophobicContact CG-CH2 4.37Å; E580-W862 HydrophobicContact CG-CZ3 4.09Å; P776-W862 WeakPolarHBondContact O-CZ2 3.44Å; L781-W862 HydrophobicContact CB-CZ2 4.01Å; L781-W862 PolarHBondContact O-NE1 2.99Å; R782-W862 HydrophobicContact CB-CE3 4.2Å; R782-W862 HydrophobicContact CB-CH2 3.88Å; R782-W862 HydrophobicContact CB-CZ2 4.33Å; R782-W862 HydrophobicContact CB-CZ3 3.81Å; R782-W862 HydrophobicContact CG-CE3 4.11Å; R782-W862 HydrophobicContact CG-CZ3 4.02Å; P783-W862 HydrophobicContact CG-CB 3.98Å; P783-W862 HydrophobicContact CG-CG 4.06Å; K799-W862 PolarHBondContact NZ-OXT 3Å; V803-W862 HydrophobicContact CG2-CB 3.59Å

Retrieved 862 of 862 residues in 403.4 ms (Link to these results)

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