A0A087YK50_POEFO Loading...

vesicle-fusing ATPase

AlphaFold DB , UniProt , Accession A0A087YK50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 769 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	30.9	Very low	243 Å²	243	164.5 Å²	164.5	100%	1.197	85%	0.849	S	S	*	*				0	151.7	0	-76.1	178.2	165.2	0	0	109.3
2	S	32.7	Very low	30.6	Very low	117 Å²	117	169.8 Å²	169.8	82%	0.818	85%	0.85	S	S	*	*			trans	57.8	81.3	164.2	-60.9	0	0	0	0	121
3	S	29.1	Very low	30.3	Very low	111 Å²	111	165.1 Å²	165.1	78%	0.776	84%	0.835	S	S	*	*				-2.3	133.6	120.3	-41.2	0	0	0	0	120.1
4	K	35.3	Very low	30.1	Very low	202 Å²	202	159.2 Å²	159.2	88%	0.878	82%	0.817	S	S	*	*				165.2	108.7	121.4	-90.1	165.1	-179.6	177.4	0	110.4
5	K	35.6	Very low	29.9	Very low	191 Å²	191	160.7 Å²	160.7	83%	0.83	82%	0.819	S	S	*	*				57.7	112.8	83.3	-102.2	-178.9	-179	170.3	0	116
6	N	27.3	Very low	29.6	Very low	171 Å²	171	154.8 Å²	154.8	91%	0.914	81%	0.81	S	S	*	*				-152.6	167.8	116.7	-115	-12.5	0	0	0	112.8
7	K	32.3	Very low	29.3	Very low	190 Å²	190	154 Å²	154	83%	0.826	81%	0.807	S	S	*	*			trans	-154.1	131.9	-143.4	176.6	-160.7	-171.4	-173.2	0	113.5
8	S	27	Very low	29.2	Very low	109 Å²	109	153.3 Å²	153.3	76%	0.762	80%	0.804	S	S	*	*			trans	-176.4	151.4	148.9	61.7	0	0	0	0	109.6
9	K	30.8	Very low	29	Very low	195 Å²	195	149.7 Å²	149.7	85%	0.848	79%	0.794	S	S	*	*			cis	-161.8	143.4	-11.9	-126.8	177.8	178.3	175.9	0	109.4
10	S	28.1	Very low	28.8	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	79%	0.792	S	S	*	*			trans	63.9	137.4	140.2	-168	0	0	0	0	119.5
11	K	27.2	Very low	28.7	Very low	181 Å²	181	149 Å²	149	79%	0.787	79%	0.789	S	S	*	*			cis	-154.3	133.1	4.1	-118.7	166	172.9	-173	0	105.4
12	R	26.9	Very low	28.2	Very low	228 Å²	228	144.6 Å²	144.6	86%	0.86	77%	0.766	S	S	*	*				57.1	136.4	81.4	-81.9	-168.3	172.4	-171.1	-3.8	113.7
13	T	26.9	Very low	27.8	Very low	108 Å²	108	146.5 Å²	146.5	66%	0.663	76%	0.759	S	S	*	*			cis	-158.4	153.2	9.7	16.3	0	0	0	0	107.4
14	S	27.4	Very low	27.4	Very low	83 Å²	83	146.6 Å²	146.6	58%	0.58	75%	0.751	S	S	*	*				48.7	144	76.6	101.5	0	0	0	0	114.4
15	E	26.8	Very low	27	Very low	181 Å²	181	145.7 Å²	145.7	85%	0.846	75%	0.75	S	S	*	*			cis	-170.5	163	14.8	-131.8	150.3	159.9	0	0	111.2
16	G	25.3	Very low	26.4	Very low	66 Å²	66	141.9 Å²	141.9	68%	0.68	75%	0.747	S	S	*	*			trans	78	161.6	155.2	0	0	0	0	0	119.5
17	D	25.5	Very low	26.2	Very low	142 Å²	142	139.6 Å²	139.6	76%	0.759	74%	0.743	S	S	*	*			cis	-166.1	166.6	-21.4	-133.8	-34.3	0	0	0	111.6
18	N	26	Very low	25.7	Very low	141 Å²	141	135 Å²	135	75%	0.754	74%	0.735	S	S	*	*			trans	-8.6	158.5	152.5	-79.7	-60.1	0	0	0	120.6
19	S	26.1	Very low	25.6	Very low	86 Å²	86	136.5 Å²	136.5	60%	0.601	73%	0.734	S	S	*	*			cis	-179.8	169.7	3.4	51	0	0	0	0	113.5
20	L	26	Very low	25.2	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	73%	0.733	S	S	*	*			trans	58	124.1	143.3	-68.5	160.5	0	0	0	124.7
21	L	26.3	Very low	25.5	Very low	137 Å²	137	139.3 Å²	139.3	72%	0.717	74%	0.742	S	S	*	*				77.6	131.7	129.8	-70.1	172.4	0	0	0	125.3
22	Q	24.3	Very low	25.3	Very low	152 Å²	152	136.5 Å²	136.5	71%	0.71	75%	0.746	S	S	*	*			trans	88.2	116.9	135.2	-79.6	-177.6	9.3	0	0	123.9
23	K	22.7	Very low	25.2	Very low	156 Å²	156	128.7 Å²	128.7	68%	0.678	74%	0.736	S	S	*	*				93.4	121.4	124.7	-81.7	-177.4	155	-99.8	0	122.5
24	D	22	Very low	25.2	Very low	113 Å²	113	131.4 Å²	131.4	60%	0.604	75%	0.745	S	S	*	*				71.1	114.9	127.1	-53.8	-10.6	0	0	0	122.2
25	E	25.8	Very low	25.1	Very low	184 Å²	184	134.4 Å²	134.4	86%	0.86	76%	0.755	S	S	*	*			trans	56.1	128.3	137	-57.7	-165.4	150.4	0	0	120
26	S	22.8	Very low	24.9	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	75%	0.752	S	S	*	*				-169.4	143.5	85.3	31.6	0	0	0	0	114.5
27	C	23.2	Very low	24.7	Very low	123 Å²	123	130 Å²	130	83%	0.831	76%	0.758	S	S	*	*			trans	41.3	137.8	136.5	-82.1	0	0	0	0	121.1
28	S	23.1	Very low	24.7	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	76%	0.759	S	S	*	*			cis	178.1	-178.8	31.3	39.4	0	0	0	0	113.2
29	L	24.6	Very low	24.6	Very low	141 Å²	141	127.6 Å²	127.6	74%	0.738	76%	0.762	S	S	*	*			trans	79.3	148.3	158.9	-55.3	175.2	0	0	0	118
30	Q	22.4	Very low	25	Very low	179 Å²	179	135.7 Å²	135.7	84%	0.836	78%	0.779	S	S	*	*			cis	-166.9	159.3	-41.4	-125.6	178.9	0.7	0	0	107.4
31	I	33.5	Very low	25	Very low	174 Å²	174	133.3 Å²	133.3	89%	0.892	78%	0.775	S	S	*	*			trans	-108.9	132.4	-177.9	-63.3	171.5	0	0	0	111.4
32	S	24.7	Very low	25.5	Very low	123 Å²	123	132.4 Å²	132.4	86%	0.86	78%	0.778	S	S	*	*			trans	-162.5	151	155.1	54.4	0	0	0	0	108.5
33	G	24.1	Very low	26.3	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	78%	0.777	S	S	*	*			cis	156	141.1	-7	0	0	0	0	0	110.6
34	L	27.3	Very low	27.7	Very low	165 Å²	165	127.9 Å²	127.9	86%	0.864	77%	0.771	S	S	*	*			trans	70.8	138.7	174.1	-58.7	146.3	0	0	0	115.2
35	D	24.2	Very low	29.9	Very low	147 Å²	147	124.5 Å²	124.5	79%	0.786	75%	0.753	S	S	*	*			cis	-168.5	162.4	14	-137.6	-22.3	0	0	0	112.6
36	G	22.8	Very low	32.4	Very low	75 Å²	75	119 Å²	119	77%	0.773	74%	0.735	S	S	*	*			trans	70.1	125.3	145.5	0	0	0	0	0	122.7
37	G	21.8	Very low	35.3	Very low	79 Å²	79	114 Å²	114	81%	0.814	70%	0.699	S	S	*	*			trans	123.2	81.2	139.5	0	0	0	0	0	119.5
38	S	25.4	Very low	38.2	Very low	112 Å²	112	109.9 Å²	109.9	78%	0.783	67%	0.672	S	S	*	*			trans	14.7	121.3	139.5	-168.6	0	0	0	0	120.2
39	C	23.3	Very low	41.1	Very low	121 Å²	121	105.6 Å²	105.6	82%	0.818	64%	0.642	S	S	*	*				173.3	138.9	109.5	-84.5	0	0	0	0	111.2
40	R	34.6	Very low	43.8	Very low	255 Å²	255	102 Å²	102	96%	0.962	62%	0.622	S	S	*	*			trans	-79.1	139.3	168.6	-72	175.5	171.2	172.8	-4.5	110
41	S	27.2	Very low	46.4	Very low	96 Å²	96	98.1 Å²	98.1	67%	0.671	61%	0.607	S	S	*	*			trans	-124.7	155.1	149.8	58.4	0	0	0	0	109.3
42	P	36.3	Very low	48.3	Very low	119 Å²	119	91.6 Å²	91.6	77%	0.773	57%	0.572	S	S	*	*	S	Bend	trans	-82.4	-11.1	-172.8	-12.2	30.9	0	0	0	114.7	C44	P42-C44 VanDerWaalsContact C-N 3.3Å; P42-C44 PolarHBondContact O-N 3.24Å
43	D	40.7	Very low	50.7	Low	130 Å²	130	88.4 Å²	88.4	70%	0.695	55%	0.545	S	S	*	.			trans	-89.9	45.1	-159	-50.6	-47.3	0	0	0	114.1	N45	D43-N45 VanDerWaalsContact C-N 3.3Å; D43-N45 PolarHBondContact O-N 3.01Å
44	C	52.9	Low	52.5	Low	82 Å²	82	93.3 Å²	93.3	55%	0.554	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-0.1	-171.5	-147.9	0	0	0	0	115.1	P42	P42-C44 VanDerWaalsContact C-N 3.3Å; P42-C44 PolarHBondContact O-N 3.24Å
45	N	67	Low	53.7	Low	42 Å²	42	95.5 Å²	95.5	23%	0.225	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-105.5	7	-171.9	-76.1	8.5	0	0	0	114.6	D43 F47 M131 L132	D43-N45 VanDerWaalsContact C-N 3.3Å; D43-N45 PolarHBondContact O-N 3.01Å; N45-F47 VanDerWaalsContact O-CD2 3.23Å; N45-F47 WeakPolarHBondContact O-CD2 3.48Å; N45-F47 WeakPolarHBondContact O-CE2 3.48Å; N45-M131 WeakPolarHBondContact O-CA 3.49Å; N45-L132 WeakPolarHBondContact CB-O 3.48Å; N45-L132 PolarHBondContact ND2-O 3.39Å; N45-L132 VanDerWaalsContact ND2-O 3.12Å; N45-L132 PolarHBondContact O-N 3.25Å
46	S	78.8	Confident	55	Low	68 Å²	68	89.7 Å²	89.7	48%	0.476	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.1	175.7	-176.4	0	0	0	0	110.9
47	F	83.4	Confident	56.2	Low	6 Å²	6	89.5 Å²	89.5	3%	0.026	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143	-179.4	-62.5	-91.9	0	0	0	111.6	N45 A79 V112 A129 V130 L132	N45-F47 VanDerWaalsContact O-CD2 3.23Å; N45-F47 WeakPolarHBondContact O-CD2 3.48Å; N45-F47 WeakPolarHBondContact O-CE2 3.48Å; F47-A79 HydrophobicContact CE2-CB 4.02Å; F47-A79 HydrophobicContact CZ-CB 3.95Å; F47-V112 HydrophobicContact CB-CG2 3.5Å; F47-V112 HydrophobicContact CD1-CG2 4.42Å; F47-V112 HydrophobicContact CD2-CG2 4.46Å; F47-V112 HydrophobicContact CG-CG2 3.9Å; F47-A129 CarbonylContact O-C 3.51Å; F47-A129 WeakPolarHBondContact O-CA 3.14Å; F47-V130 PolarHBondContact N-O 3.26Å; F47-V130 PolarHBondContact O-N 2.97Å; F47-L132 HydrophobicContact CD2-CB 4.03Å; F47-L132 HydrophobicContact CD2-CD1 3.64Å; F47-L132 HydrophobicContact CD2-CG 4.08Å; F47-L132 HydrophobicContact CE2-CB 4Å; F47-L132 HydrophobicContact CE2-CD1 3.84Å; F47-L132 HydrophobicContact CE2-CG 4.4Å; F47-L132 HydrophobicContact CG-CD1 4.21Å
48	S	83.4	Confident	57.7	Low	36 Å²	36	93.8 Å²	93.8	25%	0.252	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.1	175.6	58.3	0	0	0	0	111.7	G110 K111 V112	S48-G110 PolarHBondContact N-O 3.49Å; S48-G110 PolarHBondContact OG-O 3.22Å; S48-K111 CarbonylContact O-C 3.59Å; S48-K111 WeakPolarHBondContact O-CA 3.46Å; S48-K111 WeakPolarHBondContact OG-CG 3.35Å; S48-V112 PolarHBondContact O-N 3.06Å
49	V	84.6	Confident	59.2	Low	5 Å²	5	96.4 Å²	96.4	3%	0.03	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.9	-179.2	173.9	0	0	0	0	110.8	L114 L119 V124 G127 E128 V130	V49-L114 HydrophobicContact CG1-CD1 4.23Å; V49-L114 HydrophobicContact CG2-CD1 4.17Å; V49-L119 HydrophobicContact CG1-CD2 3.33Å; V49-V124 HydrophobicContact CB-CG1 4.4Å; V49-V124 HydrophobicContact CG2-CG1 3.98Å; V49-G127 PolarHBondContact O-N 2.77Å; V49-E128 WeakPolarHBondContact CB-O 3.21Å; V49-E128 WeakPolarHBondContact CG2-O 3.44Å; V49-E128 PolarHBondContact N-O 2.78Å; V49-V130 HydrophobicContact CG2-CB 3.94Å; V49-V130 HydrophobicContact CG2-CG2 3.41Å; V49-V130 VanDerWaalsContact CG2-CG2 3.41Å
50	M	82.4	Confident	61	Low	66 Å²	66	91.5 Å²	91.5	33%	0.325	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.1	176.9	-169.5	167.9	-173.6	0	0	109.3	F107 P108 K111 V112 G113 L114	M50-F107 HydrophobicContact CB-CZ 4.17Å; M50-F107 HydrophobicContact SD-CZ 4.29Å; M50-P108 HydrophobicContact SD-CG 4.13Å; M50-K111 HydrophobicContact CB-CD 4.47Å; M50-K111 HydrophobicContact SD-CD 3.84Å; M50-V112 PolarHBondContact N-O 2.91Å; M50-G113 WeakPolarHBondContact O-CA 3.45Å; M50-L114 PolarHBondContact O-N 2.64Å; M50-L114 VanDerWaalsContact O-N 3.13Å
51	D	76.2	Confident	62.2	Low	96 Å²	96	81.9 Å²	81.9	51%	0.513	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	144.3	175.1	-65.1	-52	0	0	0	111.5	I53 P126	D51-I53 PolarHBondContact O-N 2.99Å; D51-P126 VanDerWaalsContact OD1-CG 3.28Å; D51-P126 WeakPolarHBondContact OD1-CG 3.32Å
52	F	74.1	Confident	63.8	Low	38 Å²	38	85.8 Å²	85.8	17%	0.167	45%	0.45	C	S	.	.			trans	-59.2	127.3	178.8	-171.8	-89.6	0	0	0	112.3	E54 L68 Q70 L114 Q115	F52-E54 HydrophobicContact CD1-CG 3.88Å; F52-E54 HydrophobicContact CE1-CG 4.2Å; F52-E54 PolarHBondContact O-N 2.78Å; F52-L68 HydrophobicContact CE2-CB 4.35Å; F52-Q70 HydrophobicContact CD2-CG 3.93Å; F52-Q70 HydrophobicContact CE2-CG 3.71Å; F52-Q70 HydrophobicContact CZ-CG 4.41Å; F52-Q70 VanDerWaalsContact CZ-NE2 3.32Å; F52-L114 WeakPolarHBondContact CB-O 3.46Å; F52-L114 PolarHBondContact N-O 3Å; F52-Q115 HydrophobicContact CB-CG 4.33Å; F52-Q115 HydrophobicContact CD2-CG 3.7Å; F52-Q115 HydrophobicContact CE2-CG 4.09Å; F52-Q115 HydrophobicContact CG-CG 4.03Å
53	I	74.1	Confident	64.8	Low	56 Å²	56	83.8 Å²	83.8	29%	0.287	44%	0.439	S	S	.	.			trans	-90.8	101	179.7	-55.7	-178	0	0	0	109.1	D51 A56 Q70 F107	D51-I53 PolarHBondContact O-N 2.99Å; I53-A56 HydrophobicContact CG2-CB 4.04Å; I53-Q70 PolarHBondContact O-NE2 2.95Å; I53-Q70 VanDerWaalsContact O-NE2 3.08Å; I53-F107 HydrophobicContact CD1-CD2 3.8Å; I53-F107 HydrophobicContact CD1-CE2 3.8Å; I53-F107 HydrophobicContact CG1-CD2 4.38Å; I53-F107 HydrophobicContact CG1-CE2 4.07Å
54	E	61.9	Low	65.8	Low	165 Å²	165	79.3 Å²	79.3	77%	0.771	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.4	-178.4	-66	-168.3	140.9	0	0	114.2	F52 A56	F52-E54 HydrophobicContact CD1-CG 3.88Å; F52-E54 HydrophobicContact CE1-CG 4.2Å; F52-E54 PolarHBondContact O-N 2.78Å; E54-A56 VanDerWaalsContact C-N 3.29Å; E54-A56 PolarHBondContact O-N 2.92Å
55	K	53.5	Low	66.4	Low	212 Å²	212	79.4 Å²	79.4	92%	0.922	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	7.4	-171.7	-68.2	-174.2	176	179.8	0	115
56	A	51	Low	66.4	Low	24 Å²	24	80.1 Å²	80.1	20%	0.198	41%	0.408	C	S	.	.	S	Bend	trans	-90.2	-28.4	-162.7	0	0	0	0	0	116.5	I53 E54 V104	I53-A56 HydrophobicContact CG2-CB 4.04Å; E54-A56 VanDerWaalsContact C-N 3.29Å; E54-A56 PolarHBondContact O-N 2.92Å; A56-V104 HydrophobicContact CB-CG1 3.8Å
57	D	47.9	Very low	66	Low	72 Å²	72	78.4 Å²	78.4	39%	0.385	40%	0.395	S	S	.	.			trans	-165.4	128.7	178.8	-111.6	-46.2	0	0	0	114.3	K59 T60	D57-K59 PolarHBondContact O-N 3.15Å; D57-T60 PolarHBondContact O-OG1 3.11Å
58	D	52.2	Low	65.9	Low	168 Å²	168	78.2 Å²	78.2	90%	0.898	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.3	172.6	-96	-34.3	0	0	0	113.7	T60	D58-T60 VanDerWaalsContact C-N 3.35Å; D58-T60 PolarHBondContact O-N 2.83Å
59	K	58.2	Low	65.8	Low	167 Å²	167	76.5 Å²	76.5	73%	0.726	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	3.6	-174.2	-65.3	174.3	-177.9	167.2	0	114.7	D57	D57-K59 PolarHBondContact O-N 3.15Å
60	T	60.3	Low	65.9	Low	18 Å²	18	76.6 Å²	76.6	11%	0.11	38%	0.382	C	S	.	.	S	Bend	trans	-83	125.1	-179.7	49.3	0	0	0	0	111.9	D57 D58 K62 R65 L68	D57-T60 PolarHBondContact O-OG1 3.11Å; D58-T60 VanDerWaalsContact C-N 3.35Å; D58-T60 PolarHBondContact O-N 2.83Å; T60-K62 PolarHBondContact O-N 2.93Å; T60-R65 PolarHBondContact OG1-NE 3.31Å; T60-R65 PolarHBondContact OG1-NH2 3.46Å; T60-L68 HydrophobicContact CG2-CD1 4.37Å
61	P	59.9	Low	66.1	Low	53 Å²	53	73.4 Å²	73.4	34%	0.344	37%	0.367	S	S	.	.			trans	-63	123.6	178.1	25	-32.8	0	0	0	110.7	S63 C64	P61-S63 PolarHBondContact O-N 3.5Å; P61-C64 HydrophobicContact CG-CB 4.41Å; P61-C64 PolarHBondContact O-N 2.9Å
62	K	61	Low	66.5	Low	179 Å²	179	69.3 Å²	69.3	78%	0.778	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.7	-173.6	-68.5	-177.3	179.9	179.1	0	113.5	T60	T60-K62 PolarHBondContact O-N 2.93Å
63	S	58.1	Low	66.9	Low	77 Å²	77	72.2 Å²	72.2	54%	0.538	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-42.8	178.8	48.2	0	0	0	0	113.2	P61	P61-S63 PolarHBondContact O-N 3.5Å
64	C	60.1	Low	67.2	Low	36 Å²	36	73.9 Å²	73.9	24%	0.243	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-3.7	-171.8	-51.3	0	0	0	0	113.8	P61 Q66 T67 L68 L100	P61-C64 HydrophobicContact CG-CB 4.41Å; P61-C64 PolarHBondContact O-N 2.9Å; C64-Q66 PolarHBondContact O-N 3Å; C64-T67 PolarHBondContact O-N 3.04Å; C64-T67 PolarHBondContact O-OG1 3.01Å; C64-L68 HydrophobicContact CB-CD2 4.18Å; C64-L68 WeakPolarHBondContact O-CG 3.22Å; C64-L68 PolarHBondContact O-N 3.12Å; C64-L100 HydrophobicContact CB-CD1 4.33Å
65	R	66.9	Low	68.1	Low	83 Å²	83	66.2 Å²	66.2	31%	0.313	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-51.1	-37	-172	-76.8	-175.8	174.7	-169.6	-4.2	113.6	T60 T67 L68 Q115	T60-R65 PolarHBondContact OG1-NE 3.31Å; T60-R65 PolarHBondContact OG1-NH2 3.46Å; R65-T67 PolarHBondContact O-N 3.19Å; R65-L68 PolarHBondContact O-N 3.35Å; R65-Q115 VanDerWaalsContact O-CD 3.24Å; R65-Q115 PolarHBondContact O-NE2 3.16Å; R65-Q115 VanDerWaalsContact O-NE2 3.09Å
66	Q	67.1	Low	69.5	Low	58 Å²	58	56.3 Å²	56.3	27%	0.271	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-68.9	-16.2	-178.6	-61.2	-169.8	-30.5	0	0	114.6	C64 S181	C64-Q66 PolarHBondContact O-N 3Å; Q66-S181 VanDerWaalsContact CD-O 3.29Å; Q66-S181 PolarHBondContact NE2-O 3.25Å; Q66-S181 PolarHBondContact OE1-O 3.35Å
67	T	70.3	Confident	71	Confident	31 Å²	31	62.6 Å²	62.6	19%	0.19	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-120.5	16.4	-178.9	59	0	0	0	0	112.6	C64 R65 C99 L100	C64-T67 PolarHBondContact O-N 3.04Å; C64-T67 PolarHBondContact O-OG1 3.01Å; R65-T67 PolarHBondContact O-N 3.19Å; T67-C99 CarbonylContact O-C 3.58Å; T67-C99 VanDerWaalsContact O-CA 3.28Å; T67-C99 WeakPolarHBondContact O-CA 3.5Å; T67-C99 WeakPolarHBondContact O-CB 3.18Å; T67-L100 PolarHBondContact O-N 2.99Å
68	L	80.5	Confident	72.4	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.7	177.3	-63.6	-173.5	0	0	0	112.5	F52 T60 C64 R65 L100 W102	F52-L68 HydrophobicContact CE2-CB 4.35Å; T60-L68 HydrophobicContact CG2-CD1 4.37Å; C64-L68 HydrophobicContact CB-CD2 4.18Å; C64-L68 WeakPolarHBondContact O-CG 3.22Å; C64-L68 PolarHBondContact O-N 3.12Å; R65-L68 PolarHBondContact O-N 3.35Å; L68-L100 HydrophobicContact CD2-CB 4.05Å; L68-W102 HydrophobicContact CD1-CG 4.46Å; L68-W102 HydrophobicContact CD2-CB 4.37Å
69	A	82.5	Confident	73.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.4	161.6	0	0	0	0	0	109.2	C99 L100 W102 V112 L114	A69-C99 HydrophobicContact CB-CB 3.9Å; A69-L100 PolarHBondContact N-O 3.03Å; A69-W102 PolarHBondContact O-N 3.22Å; A69-V112 HydrophobicContact CB-CG1 4.13Å; A69-L114 HydrophobicContact CB-CD2 4.02Å
70	Q	86.4	Confident	74.2	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.3	176.3	-67	-176.3	-19.5	0	0	110	F52 I53 V104 F107 V112 G113	F52-Q70 HydrophobicContact CD2-CG 3.93Å; F52-Q70 HydrophobicContact CE2-CG 3.71Å; F52-Q70 HydrophobicContact CZ-CG 4.41Å; F52-Q70 VanDerWaalsContact CZ-NE2 3.32Å; I53-Q70 PolarHBondContact O-NE2 2.95Å; I53-Q70 VanDerWaalsContact O-NE2 3.08Å; Q70-V104 HydrophobicContact CB-CG2 4.01Å; Q70-V104 HydrophobicContact CG-CG2 3.89Å; Q70-F107 HydrophobicContact CB-CD2 4.48Å; Q70-F107 HydrophobicContact CB-CE2 4.4Å; Q70-V112 WeakPolarHBondContact O-CA 3.39Å; Q70-G113 PolarHBondContact N-O 2.64Å; Q70-G113 PolarHBondContact O-N 2.99Å
71	L	85.1	Confident	75.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.6	-178	-83.4	160.4	0	0	0	110.5	M76 W102 P103 V104 V112 L132	L71-M76 HydrophobicContact CB-CG 3.53Å; L71-M76 HydrophobicContact CB-SD 4.27Å; L71-M76 HydrophobicContact CD1-CG 3.98Å; L71-M76 HydrophobicContact CG-CG 4.33Å; L71-W102 PolarHBondContact N-O 3.17Å; L71-P103 CarbonylContact O-C 3.51Å; L71-P103 VanDerWaalsContact O-CA 3.32Å; L71-P103 WeakPolarHBondContact O-CA 3.36Å; L71-V104 PolarHBondContact O-N 2.7Å; L71-V112 HydrophobicContact CD2-CG2 3.72Å; L71-V112 HydrophobicContact CG-CG2 4.42Å; L71-L132 HydrophobicContact CD1-CD1 3.99Å; L71-L132 HydrophobicContact CD2-CD1 3.84Å; L71-L132 HydrophobicContact CG-CD1 4.4Å
72	S	84.4	Confident	76.1	Confident	10 Å²	10	50 Å²	50	7%	0.07	29%	0.285	C	S	.	.			trans	-77.8	152.7	166.5	84.2	0	0	0	0	110.8	S74 S75 M76 F107 G109	S72-S74 PolarHBondContact O-N 2.81Å; S72-S74 VanDerWaalsContact O-N 3.17Å; S72-S75 WeakPolarHBondContact O-CA 3.37Å; S72-S75 WeakPolarHBondContact O-CB 3.45Å; S72-S75 PolarHBondContact O-N 3.38Å; S72-S75 PolarHBondContact OG-N 2.87Å; S72-S75 PolarHBondContact OG-OG 3.07Å; S72-M76 PolarHBondContact O-N 2.94Å; S72-F107 WeakPolarHBondContact CB-O 3.14Å; S72-G109 WeakPolarHBondContact OG-CA 3.48Å
73	L	82.5	Confident	77.1	Confident	98 Å²	98	46.6 Å²	46.6	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-58.4	-32.9	-177.9	-173.2	65.8	0	0	0	112.9	K77	L73-K77 WeakPolarHBondContact O-CG 3.23Å; L73-K77 PolarHBondContact O-N 3.41Å
74	S	80.7	Confident	77.8	Confident	92 Å²	92	44.8 Å²	44.8	64%	0.643	27%	0.267	S	S	*	.	H	α-helix	trans	-69.3	-38.6	174.2	-53.2	0	0	0	0	112.2	S72 K77 S78	S72-S74 PolarHBondContact O-N 2.81Å; S72-S74 VanDerWaalsContact O-N 3.17Å; S74-K77 PolarHBondContact O-N 3.27Å; S74-S78 PolarHBondContact O-N 3.27Å
75	S	81.8	Confident	78.8	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-36.3	178.4	-52.5	0	0	0	0	112	S72 K77 S78 A79 G110	S72-S75 WeakPolarHBondContact O-CA 3.37Å; S72-S75 WeakPolarHBondContact O-CB 3.45Å; S72-S75 PolarHBondContact O-N 3.38Å; S72-S75 PolarHBondContact OG-N 2.87Å; S72-S75 PolarHBondContact OG-OG 3.07Å; S75-K77 VanDerWaalsContact C-N 3.35Å; S75-S78 PolarHBondContact O-N 3.38Å; S75-S78 PolarHBondContact O-OG 2.86Å; S75-A79 WeakPolarHBondContact O-CB 3.46Å; S75-A79 PolarHBondContact O-N 3.06Å; S75-A79 VanDerWaalsContact O-N 3.07Å; S75-G110 PolarHBondContact OG-N 2.96Å; S75-G110 VanDerWaalsContact OG-N 3.13Å
76	M	83.2	Confident	79.5	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.02	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-39.6	172.1	-64.3	-173.4	74.8	0	0	112	L71 S72 G80 V81 I83 P103	L71-M76 HydrophobicContact CB-CG 3.53Å; L71-M76 HydrophobicContact CB-SD 4.27Å; L71-M76 HydrophobicContact CD1-CG 3.98Å; L71-M76 HydrophobicContact CG-CG 4.33Å; S72-M76 PolarHBondContact O-N 2.94Å; M76-G80 PolarHBondContact O-N 2.9Å; M76-G80 VanDerWaalsContact O-N 3.1Å; M76-V81 HydrophobicContact CE-CG1 3.88Å; M76-V81 PolarHBondContact O-N 2.78Å; M76-I83 HydrophobicContact CE-CG1 4.04Å; M76-P103 HydrophobicContact SD-CB 3.67Å; M76-P103 HydrophobicContact SD-CG 4.27Å
77	K	81.1	Confident	80.4	Confident	157 Å²	157	45.6 Å²	45.6	68%	0.683	27%	0.266	S	S	*	.	H	α-helix	trans	-67.2	-39.2	176.9	-74.6	176	-180	-177.5	0	112.6	L73 S74 S75 G80	L73-K77 WeakPolarHBondContact O-CG 3.23Å; L73-K77 PolarHBondContact O-N 3.41Å; S74-K77 PolarHBondContact O-N 3.27Å; S75-K77 VanDerWaalsContact C-N 3.35Å; K77-G80 PolarHBondContact O-N 3.41Å
78	S	79.1	Confident	81.1	Confident	54 Å²	54	44.3 Å²	44.3	38%	0.378	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-37.6	176.4	62.2	0	0	0	0	112.4	S74 S75 G80	S74-S78 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-N 3.38Å; S75-S78 PolarHBondContact O-OG 2.86Å; S78-G80 VanDerWaalsContact C-N 3.31Å; S78-G80 PolarHBondContact O-N 3.45Å
79	A	73.1	Confident	81.4	Confident	5 Å²	5	44.1 Å²	44.1	4%	0.041	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5	176.6	0	0	0	0	0	114.9	F47 S75 V81	F47-A79 HydrophobicContact CE2-CB 4.02Å; F47-A79 HydrophobicContact CZ-CB 3.95Å; S75-A79 WeakPolarHBondContact O-CB 3.46Å; S75-A79 PolarHBondContact O-N 3.06Å; S75-A79 VanDerWaalsContact O-N 3.07Å; A79-V81 VanDerWaalsContact C-N 3.29Å; A79-V81 HydrophobicContact CB-CG2 3.86Å; A79-V81 PolarHBondContact O-N 3.32Å
80	G	75.1	Confident	81.5	Confident	57 Å²	57	45 Å²	45	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	23.6	-176.2	0	0	0	0	0	114.8	M76 K77 S78	M76-G80 PolarHBondContact O-N 2.9Å; M76-G80 VanDerWaalsContact O-N 3.1Å; K77-G80 PolarHBondContact O-N 3.41Å; S78-G80 VanDerWaalsContact C-N 3.31Å; S78-G80 PolarHBondContact O-N 3.45Å
81	V	79.5	Confident	81.4	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.079	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-94.4	129.5	-173.3	174	0	0	0	0	111.5	M76 A79 V87	M76-V81 HydrophobicContact CE-CG1 3.88Å; M76-V81 PolarHBondContact O-N 2.78Å; A79-V81 VanDerWaalsContact C-N 3.29Å; A79-V81 HydrophobicContact CB-CG2 3.86Å; A79-V81 PolarHBondContact O-N 3.32Å; V81-V87 HydrophobicContact CB-CG2 4.44Å; V81-V87 HydrophobicContact CG1-CG2 3.54Å; V81-V87 HydrophobicContact CG2-CG1 3.81Å; V81-V87 HydrophobicContact CG2-CG2 3.95Å
82	C	79	Confident	80.9	Confident	85 Å²	85	49.9 Å²	49.9	57%	0.574	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-89.1	151	169.8	-57.9	0	0	0	0	112	G84 R85	C82-G84 PolarHBondContact O-N 3.3Å; C82-R85 HydrophobicContact CB-CB 4.47Å; C82-R85 HydrophobicContact CB-CG 3.89Å; C82-R85 PolarHBondContact O-N 2.89Å; C82-R85 VanDerWaalsContact O-N 3.17Å
83	I	82.1	Confident	80.4	Confident	106 Å²	106	52.8 Å²	52.8	54%	0.544	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	127.8	177.8	-54.4	171	0	0	0	110.3	M76 R85 W102 P103	M76-I83 HydrophobicContact CE-CG1 4.04Å; I83-R85 PolarHBondContact O-N 2.82Å; I83-W102 HydrophobicContact CG2-CE3 4.39Å; I83-W102 HydrophobicContact CG2-CZ3 4.45Å; I83-P103 HydrophobicContact CD1-CG 3.86Å; I83-P103 HydrophobicContact CG1-CG 3.89Å; I83-P103 HydrophobicContact CG2-CG 4.22Å
84	G	73	Confident	80	Confident	39 Å²	39	50.2 Å²	50.2	40%	0.402	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	8.1	177.5	0	0	0	0	0	115.2	C82 G101	C82-G84 PolarHBondContact O-N 3.3Å; G84-G101 PolarHBondContact N-O 3.31Å
85	R	81.3	Confident	80	Confident	169 Å²	169	50 Å²	50	64%	0.638	30%	0.301	S	S	*	.			trans	-84.8	148.8	168.2	-73.6	-65.4	-171.8	127.4	-2.9	111.2	C82 I83 G101	C82-R85 HydrophobicContact CB-CB 4.47Å; C82-R85 HydrophobicContact CB-CG 3.89Å; C82-R85 PolarHBondContact O-N 2.89Å; C82-R85 VanDerWaalsContact O-N 3.17Å; I83-R85 PolarHBondContact O-N 2.82Å; R85-G101 PolarHBondContact O-N 3.02Å; R85-G101 VanDerWaalsContact O-N 3.17Å
86	P	82.8	Confident	80	Confident	25 Å²	25	51.9 Å²	51.9	16%	0.162	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.3	173.2	28.4	-33	0	0	0	111.6	V98 C99 L100 V135 I173	P86-V98 HydrophobicContact CB-CG1 3.8Å; P86-C99 CarbonylContact C-O 3.58Å; P86-C99 WeakPolarHBondContact CA-O 3.43Å; P86-L100 HydrophobicContact CB-CD2 4.33Å; P86-V135 HydrophobicContact CB-CB 4.32Å; P86-V135 HydrophobicContact CB-CG2 4.25Å; P86-V135 HydrophobicContact CG-CB 4.14Å; P86-V135 HydrophobicContact CG-CG1 4.44Å; P86-V135 PolarHBondContact O-N 2.93Å; P86-I173 HydrophobicContact CB-CD1 3.71Å; P86-I173 HydrophobicContact CG-CD1 3.89Å
87	V	85.3	Confident	80	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.1	-177.5	-156.8	0	0	0	0	107.9	V81 V98 C99 L132 H133	V81-V87 HydrophobicContact CB-CG2 4.44Å; V81-V87 HydrophobicContact CG1-CG2 3.54Å; V81-V87 HydrophobicContact CG2-CG1 3.81Å; V81-V87 HydrophobicContact CG2-CG2 3.95Å; V87-V98 WeakPolarHBondContact O-CA 3.28Å; V87-C99 PolarHBondContact N-O 3.05Å; V87-C99 PolarHBondContact O-N 2.87Å; V87-L132 HydrophobicContact CB-CD2 4.24Å; V87-L132 HydrophobicContact CG1-CB 4.36Å; V87-L132 HydrophobicContact CG1-CD2 3.59Å; V87-H133 WeakPolarHBondContact CG1-O 3.1Å
88	L	85.4	Confident	80.3	Confident	3 Å²	3	46 Å²	46	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.6	176.6	-172.6	66.3	0	0	0	108.6	Q96 V98 H133 V135 L175 F310	L88-Q96 HydrophobicContact CD1-CB 4.07Å; L88-V98 HydrophobicContact CD1-CG2 3.9Å; L88-H133 HydrophobicContact CB-CB 4.43Å; L88-H133 PolarHBondContact N-O 2.84Å; L88-H133 PolarHBondContact O-N 3.12Å; L88-V135 HydrophobicContact CB-CG2 4.13Å; L88-L175 HydrophobicContact CD1-CD1 4.41Å; L88-F310 HydrophobicContact CD1-CE1 4.18Å; L88-F310 HydrophobicContact CD2-CZ 4.46Å
89	L	86.1	Confident	80.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.5	167.8	-70.7	155.1	0	0	0	108	Q96 E97 C99 L114 T118 L122 V130 M131 L132	L89-Q96 VanDerWaalsContact O-CA 3.28Å; L89-Q96 WeakPolarHBondContact O-CA 2.98Å; L89-E97 PolarHBondContact N-O 2.79Å; L89-E97 PolarHBondContact O-N 2.84Å; L89-C99 HydrophobicContact CD1-CB 3.91Å; L89-L114 HydrophobicContact CD1-CD1 4.28Å; L89-L114 HydrophobicContact CD1-CD2 3.68Å; L89-L114 HydrophobicContact CD2-CD1 4.38Å; L89-L114 HydrophobicContact CD2-CD2 4.26Å; L89-T118 HydrophobicContact CD1-CG2 4Å; L89-L122 HydrophobicContact CB-CD1 3.91Å; L89-L122 HydrophobicContact CB-CD2 4.19Å; L89-L122 HydrophobicContact CD1-CD1 4.18Å; L89-V130 HydrophobicContact CB-CG1 4.04Å; L89-V130 HydrophobicContact CD2-CG1 3.58Å; L89-V130 HydrophobicContact CG-CG1 4.45Å; L89-M131 WeakPolarHBondContact CA-O 3.38Å; L89-L132 HydrophobicContact CD2-CD2 3.36Å; L89-L132 HydrophobicContact CD2-CG 3.99Å; L89-L132 HydrophobicContact CG-CD2 3.87Å
90	T	84.1	Confident	81	Confident	17 Å²	17	45.1 Å²	45.1	10%	0.104	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.5	175.8	-50.7	0	0	0	0	109.6	Q96 M131	T90-Q96 HydrophobicContact CG2-CG 4.07Å; T90-M131 PolarHBondContact N-O 2.91Å; T90-M131 PolarHBondContact O-N 3.24Å
91	S	84.1	Confident	81.4	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.035	25%	0.248	C	C	.	.			trans	-75.2	159.9	176.6	75.2	0	0	0	0	111.8	S93 G94 Q95 L122	S91-S93 PolarHBondContact O-N 3.39Å; S91-S93 PolarHBondContact OG-N 3.08Å; S91-S93 PolarHBondContact OG-OG 3.03Å; S91-G94 PolarHBondContact O-N 3.45Å; S91-G94 PolarHBondContact OG-N 2.92Å; S91-Q95 PolarHBondContact N-O 3.1Å; S91-Q95 PolarHBondContact OG-N 3.46Å; S91-Q95 PolarHBondContact OG-O 2.85Å; S91-L122 WeakPolarHBondContact CB-O 3.42Å; S91-L122 PolarHBondContact OG-O 2.94Å
92	P	75.5	Confident	81.7	Confident	105 Å²	105	44.8 Å²	44.8	68%	0.682	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	170.5	-22	34.3	0	0	0	113.1	G94 A129	P92-G94 VanDerWaalsContact C-N 3.28Å; P92-A129 VanDerWaalsContact CD-O 3.22Å; P92-A129 WeakPolarHBondContact CD-O 3.13Å; P92-A129 WeakPolarHBondContact CG-O 3.29Å
93	S	73.6	Confident	81.9	Confident	71 Å²	71	42.2 Å²	42.2	50%	0.497	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	8.4	175.9	57.1	0	0	0	0	113.8	S91 Q95	S91-S93 PolarHBondContact O-N 3.39Å; S91-S93 PolarHBondContact OG-N 3.08Å; S91-S93 PolarHBondContact OG-OG 3.03Å; S93-Q95 PolarHBondContact O-N 3.07Å
94	G	74	Confident	81.9	Confident	44 Å²	44	37.3 Å²	37.3	45%	0.454	21%	0.213	S	C	.	.	S	Bend	trans	73.5	9	176.7	0	0	0	0	0	115	S91 P92	S91-G94 PolarHBondContact O-N 3.45Å; S91-G94 PolarHBondContact OG-N 2.92Å; P92-G94 VanDerWaalsContact C-N 3.28Å
95	Q	80	Confident	81.7	Confident	87 Å²	87	40.6 Å²	40.6	41%	0.407	24%	0.236	S	C	.	.			trans	-77.4	144.8	169.8	-59.8	-56.9	-61.5	0	0	109.6	S91 S93	S91-Q95 PolarHBondContact N-O 3.1Å; S91-Q95 PolarHBondContact OG-N 3.46Å; S91-Q95 PolarHBondContact OG-O 2.85Å; S93-Q95 PolarHBondContact O-N 3.07Å
96	Q	83.1	Confident	81.2	Confident	43 Å²	43	36.6 Å²	36.6	20%	0.201	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.9	-177.3	-62.2	-169.8	7	0	0	111.3	L88 L89 T90 L175 G303 F304	L88-Q96 HydrophobicContact CD1-CB 4.07Å; L89-Q96 VanDerWaalsContact O-CA 3.28Å; L89-Q96 WeakPolarHBondContact O-CA 2.98Å; T90-Q96 HydrophobicContact CG2-CG 4.07Å; Q96-L175 HydrophobicContact CB-CD1 4.24Å; Q96-G303 PolarHBondContact OE1-O 3.4Å; Q96-G303 VanDerWaalsContact OE1-O 3.07Å; Q96-F304 PolarHBondContact NE2-O 3.15Å; Q96-F304 PolarHBondContact OE1-O 3.27Å
97	E	83.7	Confident	81	Confident	24 Å²	24	35.9 Å²	35.9	11%	0.112	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	146.1	177.2	-168.4	167.4	-166.6	0	0	110.5	L89 T118 N121 L122	L89-E97 PolarHBondContact N-O 2.79Å; L89-E97 PolarHBondContact O-N 2.84Å; E97-T118 HydrophobicContact CG-CG2 4.38Å; E97-T118 WeakPolarHBondContact OE2-CA 3.39Å; E97-T118 WeakPolarHBondContact OE2-CG2 3.14Å; E97-T118 VanDerWaalsContact OE2-O 3.09Å; E97-N121 PolarHBondContact OE1-ND2 3.34Å; E97-N121 WeakPolarHBondContact OE2-CB 2.88Å; E97-L122 HydrophobicContact CB-CD2 3.83Å; E97-L122 HydrophobicContact CB-CG 4.13Å
98	V	85.6	Confident	80.7	Confident	12 Å²	12	38.3 Å²	38.3	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.5	179.8	-175.6	0	0	0	0	109.9	P86 V87 L88 V135 I173 L175 F310	P86-V98 HydrophobicContact CB-CG1 3.8Å; V87-V98 WeakPolarHBondContact O-CA 3.28Å; L88-V98 HydrophobicContact CD1-CG2 3.9Å; V98-V135 HydrophobicContact CG1-CG2 4.41Å; V98-I173 HydrophobicContact CB-CB 4.24Å; V98-I173 HydrophobicContact CB-CG2 4.04Å; V98-I173 HydrophobicContact CG1-CB 3.92Å; V98-I173 HydrophobicContact CG1-CD1 4.24Å; V98-I173 HydrophobicContact CG1-CG2 4Å; V98-I173 HydrophobicContact CG2-CG2 3.99Å; V98-L175 HydrophobicContact CG2-CD1 4.14Å; V98-L175 HydrophobicContact CG2-CD2 4.42Å; V98-L175 HydrophobicContact CG2-CG 4.19Å; V98-F310 HydrophobicContact CG2-CD1 3.91Å; V98-F310 HydrophobicContact CG2-CE1 3.83Å
99	C	83.7	Confident	80.2	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.2	175.5	-70.5	0	0	0	0	111.2	T67 A69 P86 V87 L89	T67-C99 CarbonylContact O-C 3.58Å; T67-C99 VanDerWaalsContact O-CA 3.28Å; T67-C99 WeakPolarHBondContact O-CA 3.5Å; T67-C99 WeakPolarHBondContact O-CB 3.18Å; A69-C99 HydrophobicContact CB-CB 3.9Å; P86-C99 CarbonylContact C-O 3.58Å; P86-C99 WeakPolarHBondContact CA-O 3.43Å; V87-C99 PolarHBondContact N-O 3.05Å; V87-C99 PolarHBondContact O-N 2.87Å; L89-C99 HydrophobicContact CD1-CB 3.91Å
100	L	84.5	Confident	79.8	Confident	39 Å²	39	42.4 Å²	42.4	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.3	175	-61.1	174	0	0	0	109.8	C64 T67 L68 A69 P86 W102	C64-L100 HydrophobicContact CB-CD1 4.33Å; T67-L100 PolarHBondContact O-N 2.99Å; L68-L100 HydrophobicContact CD2-CB 4.05Å; A69-L100 PolarHBondContact N-O 3.03Å; P86-L100 HydrophobicContact CB-CD2 4.33Å; L100-W102 PolarHBondContact O-N 3.48Å
101	G	83.3	Confident	79.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.4	178.6	0	0	0	0	0	112.1	G84 R85	G84-G101 PolarHBondContact N-O 3.31Å; R85-G101 PolarHBondContact O-N 3.02Å; R85-G101 VanDerWaalsContact O-N 3.17Å
102	W	85.2	Confident	79.9	Confident	63 Å²	63	45.1 Å²	45.1	24%	0.239	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.1	-179.9	-164.2	-89.1	0	0	0	112.6	L68 A69 L71 I83 L100	L68-W102 HydrophobicContact CD1-CG 4.46Å; L68-W102 HydrophobicContact CD2-CB 4.37Å; A69-W102 PolarHBondContact O-N 3.22Å; L71-W102 PolarHBondContact N-O 3.17Å; I83-W102 HydrophobicContact CG2-CE3 4.39Å; I83-W102 HydrophobicContact CG2-CZ3 4.45Å; L100-W102 PolarHBondContact O-N 3.48Å
103	P	83.7	Confident	80.4	Confident	31 Å²	31	40.1 Å²	40.1	20%	0.201	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.9	179.2	30.6	-34	0	0	0	111.3	L71 M76 I83	L71-P103 CarbonylContact O-C 3.51Å; L71-P103 VanDerWaalsContact O-CA 3.32Å; L71-P103 WeakPolarHBondContact O-CA 3.36Å; M76-P103 HydrophobicContact SD-CB 3.67Å; M76-P103 HydrophobicContact SD-CG 4.27Å; I83-P103 HydrophobicContact CD1-CG 3.86Å; I83-P103 HydrophobicContact CG1-CG 3.89Å; I83-P103 HydrophobicContact CG2-CG 4.22Å
104	V	81.4	Confident	80.9	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.024	24%	0.241	C	C	.	.			trans	-126.9	121.7	171.4	177.6	0	0	0	0	108.9	A56 Q70 L71 S106 F107	A56-V104 HydrophobicContact CB-CG1 3.8Å; Q70-V104 HydrophobicContact CB-CG2 4.01Å; Q70-V104 HydrophobicContact CG-CG2 3.89Å; L71-V104 PolarHBondContact O-N 2.7Å; V104-S106 VanDerWaalsContact C-N 3.31Å; V104-S106 PolarHBondContact O-N 3.05Å; V104-F107 HydrophobicContact CB-CB 3.93Å; V104-F107 HydrophobicContact CG1-CB 4.06Å; V104-F107 WeakPolarHBondContact O-CB 3.46Å; V104-F107 PolarHBondContact O-N 3.07Å
105	A	69.9	Low	81.3	Confident	108 Å²	108	36.4 Å²	36.4	89%	0.893	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-28.2	-171.3	0	0	0	0	0	113.8
106	S	69.3	Low	81.2	Confident	84 Å²	84	40.3 Å²	40.3	59%	0.587	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	2.8	179.2	50	0	0	0	0	114.1	V104	V104-S106 VanDerWaalsContact C-N 3.31Å; V104-S106 PolarHBondContact O-N 3.05Å
107	F	79.5	Confident	80.8	Confident	10 Å²	10	39.4 Å²	39.4	4%	0.044	24%	0.241	C	C	.	.	S	Bend	trans	-90.3	136.1	-171.8	-153.7	-95.4	0	0	0	112.4	M50 I53 Q70 S72 V104 K111	M50-F107 HydrophobicContact CB-CZ 4.17Å; M50-F107 HydrophobicContact SD-CZ 4.29Å; I53-F107 HydrophobicContact CD1-CD2 3.8Å; I53-F107 HydrophobicContact CD1-CE2 3.8Å; I53-F107 HydrophobicContact CG1-CD2 4.38Å; I53-F107 HydrophobicContact CG1-CE2 4.07Å; Q70-F107 HydrophobicContact CB-CD2 4.48Å; Q70-F107 HydrophobicContact CB-CE2 4.4Å; S72-F107 WeakPolarHBondContact CB-O 3.14Å; V104-F107 HydrophobicContact CB-CB 3.93Å; V104-F107 HydrophobicContact CG1-CB 4.06Å; V104-F107 WeakPolarHBondContact O-CB 3.46Å; V104-F107 PolarHBondContact O-N 3.07Å; F107-K111 HydrophobicContact CD1-CB 4.48Å; F107-K111 HydrophobicContact CE1-CB 3.69Å; F107-K111 HydrophobicContact CZ-CB 4.39Å
108	P	78.3	Confident	80.6	Confident	53 Å²	53	38.3 Å²	38.3	34%	0.344	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-65.1	146.4	180	26.1	-34.7	0	0	0	112.8	M50 K111	M50-P108 HydrophobicContact SD-CG 4.13Å; P108-K111 HydrophobicContact CB-CD 4.46Å; P108-K111 HydrophobicContact CB-CG 4.3Å; P108-K111 HydrophobicContact CG-CB 4.19Å; P108-K111 HydrophobicContact CG-CD 3.84Å; P108-K111 HydrophobicContact CG-CG 3.95Å
109	G	76.6	Confident	80.4	Confident	52 Å²	52	38.5 Å²	38.5	54%	0.536	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	148.6	172.5	0	0	0	0	0	113	S72 K111	S72-G109 WeakPolarHBondContact OG-CA 3.48Å; G109-K111 VanDerWaalsContact C-N 3.27Å; G109-K111 PolarHBondContact O-N 3.2Å
110	G	76.4	Confident	80.3	Confident	37 Å²	37	42.9 Å²	42.9	38%	0.381	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	12.9	-179.8	0	0	0	0	0	114.4	S48 S75	S48-G110 PolarHBondContact N-O 3.49Å; S48-G110 PolarHBondContact OG-O 3.22Å; S75-G110 PolarHBondContact OG-N 2.96Å; S75-G110 VanDerWaalsContact OG-N 3.13Å
111	K	84.4	Confident	80.1	Confident	77 Å²	77	42.1 Å²	42.1	34%	0.335	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158	178	-51.7	-145.3	177.3	-176.4	0	112	S48 M50 F107 P108 G109	S48-K111 CarbonylContact O-C 3.59Å; S48-K111 WeakPolarHBondContact O-CA 3.46Å; S48-K111 WeakPolarHBondContact OG-CG 3.35Å; M50-K111 HydrophobicContact CB-CD 4.47Å; M50-K111 HydrophobicContact SD-CD 3.84Å; F107-K111 HydrophobicContact CD1-CB 4.48Å; F107-K111 HydrophobicContact CE1-CB 3.69Å; F107-K111 HydrophobicContact CZ-CB 4.39Å; P108-K111 HydrophobicContact CB-CD 4.46Å; P108-K111 HydrophobicContact CB-CG 4.3Å; P108-K111 HydrophobicContact CG-CB 4.19Å; P108-K111 HydrophobicContact CG-CD 3.84Å; P108-K111 HydrophobicContact CG-CG 3.95Å; G109-K111 VanDerWaalsContact C-N 3.27Å; G109-K111 PolarHBondContact O-N 3.2Å
112	V	86.1	Confident	79.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.5	171.2	-179.9	0	0	0	0	109.7	F47 S48 M50 A69 Q70 L71 L114 L132	F47-V112 HydrophobicContact CB-CG2 3.5Å; F47-V112 HydrophobicContact CD1-CG2 4.42Å; F47-V112 HydrophobicContact CD2-CG2 4.46Å; F47-V112 HydrophobicContact CG-CG2 3.9Å; S48-V112 PolarHBondContact O-N 3.06Å; M50-V112 PolarHBondContact N-O 2.91Å; A69-V112 HydrophobicContact CB-CG1 4.13Å; Q70-V112 WeakPolarHBondContact O-CA 3.39Å; L71-V112 HydrophobicContact CD2-CG2 3.72Å; L71-V112 HydrophobicContact CG-CG2 4.42Å; V112-L114 HydrophobicContact CG1-CD2 3.48Å; V112-L114 VanDerWaalsContact CG1-CD2 3.48Å; V112-L114 HydrophobicContact CG1-CG 3.84Å; V112-L132 HydrophobicContact CG2-CD1 3.47Å; V112-L132 VanDerWaalsContact CG2-CD1 3.47Å; V112-L132 HydrophobicContact CG2-CG 4.32Å
113	G	85.4	Confident	79.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.6	172.1	0	0	0	0	0	110.8	M50 Q70	M50-G113 WeakPolarHBondContact O-CA 3.45Å; Q70-G113 PolarHBondContact N-O 2.64Å; Q70-G113 PolarHBondContact O-N 2.99Å
114	L	85.8	Confident	79.3	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.5	-179	-61.4	-177.1	0	0	0	111.7	V49 M50 F52 A69 L89 V112 T118 L119 L122	V49-L114 HydrophobicContact CG1-CD1 4.23Å; V49-L114 HydrophobicContact CG2-CD1 4.17Å; M50-L114 PolarHBondContact O-N 2.64Å; M50-L114 VanDerWaalsContact O-N 3.13Å; F52-L114 WeakPolarHBondContact CB-O 3.46Å; F52-L114 PolarHBondContact N-O 3Å; A69-L114 HydrophobicContact CB-CD2 4.02Å; L89-L114 HydrophobicContact CD1-CD1 4.28Å; L89-L114 HydrophobicContact CD1-CD2 3.68Å; L89-L114 HydrophobicContact CD2-CD1 4.38Å; L89-L114 HydrophobicContact CD2-CD2 4.26Å; V112-L114 HydrophobicContact CG1-CD2 3.48Å; V112-L114 VanDerWaalsContact CG1-CD2 3.48Å; V112-L114 HydrophobicContact CG1-CG 3.84Å; L114-T118 HydrophobicContact CB-CG2 4.42Å; L114-T118 HydrophobicContact CD1-CG2 4.23Å; L114-T118 HydrophobicContact CD2-CG2 4.19Å; L114-L119 HydrophobicContact CB-CD2 3.91Å; L114-L119 HydrophobicContact CB-CG 4.23Å; L114-L119 HydrophobicContact CD1-CD2 4.14Å; L114-L122 HydrophobicContact CD1-CD1 3.91Å
115	Q	80.8	Confident	79.2	Confident	37 Å²	37	53 Å²	53	17%	0.173	30%	0.301	C	S	.	.			trans	-79.1	156	174.6	-66.7	-141.3	-18.9	0	0	112.3	F52 R65 C117 T118 L119	F52-Q115 HydrophobicContact CB-CG 4.33Å; F52-Q115 HydrophobicContact CD2-CG 3.7Å; F52-Q115 HydrophobicContact CE2-CG 4.09Å; F52-Q115 HydrophobicContact CG-CG 4.03Å; R65-Q115 VanDerWaalsContact O-CD 3.24Å; R65-Q115 PolarHBondContact O-NE2 3.16Å; R65-Q115 VanDerWaalsContact O-NE2 3.09Å; Q115-C117 VanDerWaalsContact CB-SG 3.6Å; Q115-C117 PolarHBondContact O-N 2.94Å; Q115-C117 VanDerWaalsContact O-N 3.17Å; Q115-T118 WeakPolarHBondContact O-CB 3.39Å; Q115-T118 PolarHBondContact O-N 2.82Å; Q115-L119 WeakPolarHBondContact O-CG 3.28Å; Q115-L119 PolarHBondContact O-N 2.88Å
116	K	79.6	Confident	79.6	Confident	169 Å²	169	51.1 Å²	51.1	74%	0.735	28%	0.28	S	S	*	.	H	α-helix	trans	-57.3	-31.7	-177.9	-169.5	175.2	-179.4	-179.9	0	113.7	T120	K116-T120 PolarHBondContact O-N 2.91Å; K116-T120 VanDerWaalsContact O-N 3.17Å; K116-T120 PolarHBondContact O-OG1 3.18Å
117	C	74.7	Confident	79.9	Confident	23 Å²	23	49.9 Å²	49.9	16%	0.155	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-52.2	171.9	46.6	0	0	0	0	111.8	Q115 L119 T120 N121 S181	Q115-C117 VanDerWaalsContact CB-SG 3.6Å; Q115-C117 PolarHBondContact O-N 2.94Å; Q115-C117 VanDerWaalsContact O-N 3.17Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.47Å; C117-T120 WeakPolarHBondContact O-CA 3.45Å; C117-T120 WeakPolarHBondContact O-CB 3.31Å; C117-T120 PolarHBondContact O-N 2.95Å; C117-N121 PolarHBondContact O-N 3.4Å; C117-S181 WeakPolarHBondContact CB-OG 3.47Å
118	T	78.6	Confident	80.1	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-42	177.9	-44.3	0	0	0	0	112	L89 E97 L114 Q115 T120 N121 L122	L89-T118 HydrophobicContact CD1-CG2 4Å; E97-T118 HydrophobicContact CG-CG2 4.38Å; E97-T118 WeakPolarHBondContact OE2-CA 3.39Å; E97-T118 WeakPolarHBondContact OE2-CG2 3.14Å; E97-T118 VanDerWaalsContact OE2-O 3.09Å; L114-T118 HydrophobicContact CB-CG2 4.42Å; L114-T118 HydrophobicContact CD1-CG2 4.23Å; L114-T118 HydrophobicContact CD2-CG2 4.19Å; Q115-T118 WeakPolarHBondContact O-CB 3.39Å; Q115-T118 PolarHBondContact O-N 2.82Å; T118-T120 VanDerWaalsContact C-N 3.29Å; T118-T120 PolarHBondContact O-N 3.46Å; T118-N121 PolarHBondContact O-N 3.19Å; T118-L122 HydrophobicContact CG2-CD1 4.11Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 WeakPolarHBondContact O-CG 3.31Å; T118-L122 PolarHBondContact O-N 2.94Å
119	L	82.1	Confident	80.2	Confident	16 Å²	16	53.1 Å²	53.1	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-39.5	173.3	-64.8	177.6	0	0	0	112.5	V49 L114 Q115 C117 R123 V124 P126	V49-L119 HydrophobicContact CG1-CD2 3.33Å; L114-L119 HydrophobicContact CB-CD2 3.91Å; L114-L119 HydrophobicContact CB-CG 4.23Å; L114-L119 HydrophobicContact CD1-CD2 4.14Å; Q115-L119 WeakPolarHBondContact O-CG 3.28Å; Q115-L119 PolarHBondContact O-N 2.88Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.47Å; L119-R123 WeakPolarHBondContact O-CA 3.47Å; L119-R123 PolarHBondContact O-N 3.29Å; L119-V124 PolarHBondContact O-N 3.41Å; L119-V124 VanDerWaalsContact O-N 3.08Å; L119-P126 HydrophobicContact CD1-CG 4.22Å
120	T	79.8	Confident	80.6	Confident	94 Å²	94	50.7 Å²	50.7	58%	0.577	27%	0.273	S	S	*	.	H	α-helix	trans	-70.8	-39	179	-53.8	0	0	0	0	111.6	K116 C117 T118 R123	K116-T120 PolarHBondContact O-N 2.91Å; K116-T120 VanDerWaalsContact O-N 3.17Å; K116-T120 PolarHBondContact O-OG1 3.18Å; C117-T120 WeakPolarHBondContact O-CA 3.45Å; C117-T120 WeakPolarHBondContact O-CB 3.31Å; C117-T120 PolarHBondContact O-N 2.95Å; T118-T120 VanDerWaalsContact C-N 3.29Å; T118-T120 PolarHBondContact O-N 3.46Å; T120-R123 PolarHBondContact O-N 3.4Å
121	N	80.4	Confident	80.9	Confident	23 Å²	23	53.3 Å²	53.3	12%	0.123	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-47.4	177	-77.6	-21.4	0	0	0	112	E97 C117 T118 R123 V179	E97-N121 PolarHBondContact OE1-ND2 3.34Å; E97-N121 WeakPolarHBondContact OE2-CB 2.88Å; C117-N121 PolarHBondContact O-N 3.4Å; T118-N121 PolarHBondContact O-N 3.19Å; N121-R123 PolarHBondContact O-N 2.92Å; N121-V179 PolarHBondContact ND2-O 2.97Å; N121-V179 WeakPolarHBondContact OD1-CA 3.27Å; N121-V179 WeakPolarHBondContact OD1-CB 3.45Å; N121-V179 PolarHBondContact OD1-N 2.92Å; N121-V179 PolarHBondContact OD1-O 2.95Å
122	L	78.8	Confident	80.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.2	-17.3	175.5	-68.4	171.9	0	0	0	113.5	L89 S91 E97 L114 T118 V124	L89-L122 HydrophobicContact CB-CD1 3.91Å; L89-L122 HydrophobicContact CB-CD2 4.19Å; L89-L122 HydrophobicContact CD1-CD1 4.18Å; S91-L122 WeakPolarHBondContact CB-O 3.42Å; S91-L122 PolarHBondContact OG-O 2.94Å; E97-L122 HydrophobicContact CB-CD2 3.83Å; E97-L122 HydrophobicContact CB-CG 4.13Å; L114-L122 HydrophobicContact CD1-CD1 3.91Å; T118-L122 HydrophobicContact CG2-CD1 4.11Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 WeakPolarHBondContact O-CG 3.31Å; T118-L122 PolarHBondContact O-N 2.94Å; L122-V124 HydrophobicContact CB-CB 4.25Å; L122-V124 HydrophobicContact CB-CG2 3.86Å
123	R	77.3	Confident	80.8	Confident	170 Å²	170	52.2 Å²	52.2	64%	0.642	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	42.6	-171.9	-58.4	177.2	164.3	-155.1	-13.3	112.8	L119 T120 N121	L119-R123 WeakPolarHBondContact O-CA 3.47Å; L119-R123 PolarHBondContact O-N 3.29Å; T120-R123 PolarHBondContact O-N 3.4Å; N121-R123 PolarHBondContact O-N 2.92Å
124	V	80.1	Confident	80.6	Confident	8 Å²	8	54.4 Å²	54.4	5%	0.048	29%	0.287	C	S	.	.			trans	-119.3	139.9	-173.4	174.9	0	0	0	0	110.5	V49 L119 L122 E128 V130	V49-V124 HydrophobicContact CB-CG1 4.4Å; V49-V124 HydrophobicContact CG2-CG1 3.98Å; L119-V124 PolarHBondContact O-N 3.41Å; L119-V124 VanDerWaalsContact O-N 3.08Å; L122-V124 HydrophobicContact CB-CB 4.25Å; L122-V124 HydrophobicContact CB-CG2 3.86Å; V124-E128 WeakPolarHBondContact CA-OE2 3.36Å; V124-E128 HydrophobicContact CG1-CB 3.69Å; V124-E128 WeakPolarHBondContact CG1-OE2 3.49Å; V124-V130 HydrophobicContact CB-CG2 4.47Å; V124-V130 HydrophobicContact CG1-CG2 3.87Å; V124-V130 HydrophobicContact CG2-CG2 4.08Å
125	K	79.9	Confident	80.4	Confident	149 Å²	149	55.4 Å²	55.4	65%	0.648	29%	0.293	S	S	*	.			trans	-93.7	151.7	175.7	-68.3	176.5	-179.1	172.5	0	111.8	G127 E128	K125-G127 PolarHBondContact O-N 3.36Å; K125-E128 PolarHBondContact N-OE2 3.17Å; K125-E128 WeakPolarHBondContact O-CB 3.36Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-E128 VanDerWaalsContact O-N 3.12Å
126	P	78.9	Confident	80.2	Confident	68 Å²	68	58.6 Å²	58.6	44%	0.442	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.7	170.8	-23.8	34.3	0	0	0	111.1	D51 L119	D51-P126 VanDerWaalsContact OD1-CG 3.28Å; D51-P126 WeakPolarHBondContact OD1-CG 3.32Å; L119-P126 HydrophobicContact CD1-CG 4.22Å
127	G	74.7	Confident	80	Confident	58 Å²	58	51.2 Å²	51.2	60%	0.598	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.5	-20.1	-175.2	0	0	0	0	0	115.2	V49 K125	V49-G127 PolarHBondContact O-N 2.77Å; K125-G127 PolarHBondContact O-N 3.36Å
128	E	82.6	Confident	80	Confident	85 Å²	85	53.8 Å²	53.8	40%	0.397	30%	0.303	S	S	.	.	S	Bend	trans	-75.1	158.6	175.8	-73.8	168.3	-175.8	0	0	111.8	V49 V124 K125	V49-E128 WeakPolarHBondContact CB-O 3.21Å; V49-E128 WeakPolarHBondContact CG2-O 3.44Å; V49-E128 PolarHBondContact N-O 2.78Å; V124-E128 WeakPolarHBondContact CA-OE2 3.36Å; V124-E128 HydrophobicContact CG1-CB 3.69Å; V124-E128 WeakPolarHBondContact CG1-OE2 3.49Å; K125-E128 PolarHBondContact N-OE2 3.17Å; K125-E128 WeakPolarHBondContact O-CB 3.36Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-E128 VanDerWaalsContact O-N 3.12Å
129	A	82.3	Confident	80.1	Confident	46 Å²	46	57.1 Å²	57.1	38%	0.38	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.5	-179.2	0	0	0	0	0	111.8	F47 P92	F47-A129 CarbonylContact O-C 3.51Å; F47-A129 WeakPolarHBondContact O-CA 3.14Å; P92-A129 VanDerWaalsContact CD-O 3.22Å; P92-A129 WeakPolarHBondContact CD-O 3.13Å; P92-A129 WeakPolarHBondContact CG-O 3.29Å
130	V	84.9	Confident	80.1	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.5	175.5	171.6	0	0	0	0	109.2	F47 V49 L89 V124	F47-V130 PolarHBondContact N-O 3.26Å; F47-V130 PolarHBondContact O-N 2.97Å; V49-V130 HydrophobicContact CG2-CB 3.94Å; V49-V130 HydrophobicContact CG2-CG2 3.41Å; V49-V130 VanDerWaalsContact CG2-CG2 3.41Å; L89-V130 HydrophobicContact CB-CG1 4.04Å; L89-V130 HydrophobicContact CD2-CG1 3.58Å; L89-V130 HydrophobicContact CG-CG1 4.45Å; V124-V130 HydrophobicContact CB-CG2 4.47Å; V124-V130 HydrophobicContact CG1-CG2 3.87Å; V124-V130 HydrophobicContact CG2-CG2 4.08Å
131	M	82.8	Confident	80.4	Confident	92 Å²	92	56.2 Å²	56.2	45%	0.453	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.8	175.8	-62.9	-163.7	-66.8	0	0	111	N45 L89 T90	N45-M131 WeakPolarHBondContact O-CA 3.49Å; L89-M131 WeakPolarHBondContact CA-O 3.38Å; T90-M131 PolarHBondContact N-O 2.91Å; T90-M131 PolarHBondContact O-N 3.24Å
132	L	83.5	Confident	80.5	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.8	174.9	-84.6	172.9	0	0	0	111	N45 F47 L71 V87 L89 V112	N45-L132 WeakPolarHBondContact CB-O 3.48Å; N45-L132 PolarHBondContact ND2-O 3.39Å; N45-L132 VanDerWaalsContact ND2-O 3.12Å; N45-L132 PolarHBondContact O-N 3.25Å; F47-L132 HydrophobicContact CD2-CB 4.03Å; F47-L132 HydrophobicContact CD2-CD1 3.64Å; F47-L132 HydrophobicContact CD2-CG 4.08Å; F47-L132 HydrophobicContact CE2-CB 4Å; F47-L132 HydrophobicContact CE2-CD1 3.84Å; F47-L132 HydrophobicContact CE2-CG 4.4Å; F47-L132 HydrophobicContact CG-CD1 4.21Å; L71-L132 HydrophobicContact CD1-CD1 3.99Å; L71-L132 HydrophobicContact CD2-CD1 3.84Å; L71-L132 HydrophobicContact CG-CD1 4.4Å; V87-L132 HydrophobicContact CB-CD2 4.24Å; V87-L132 HydrophobicContact CG1-CB 4.36Å; V87-L132 HydrophobicContact CG1-CD2 3.59Å; L89-L132 HydrophobicContact CD2-CD2 3.36Å; L89-L132 HydrophobicContact CD2-CG 3.99Å; L89-L132 HydrophobicContact CG-CD2 3.87Å; V112-L132 HydrophobicContact CG2-CD1 3.47Å; V112-L132 VanDerWaalsContact CG2-CD1 3.47Å; V112-L132 HydrophobicContact CG2-CG 4.32Å
133	H	83.3	Confident	80.7	Confident	55 Å²	55	59.2 Å²	59.2	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	175.1	-62	101.3	0	0	0	110.7	V87 L88 V135	V87-H133 WeakPolarHBondContact CG1-O 3.1Å; L88-H133 HydrophobicContact CB-CB 4.43Å; L88-H133 PolarHBondContact N-O 2.84Å; L88-H133 PolarHBondContact O-N 3.12Å; H133-V135 PolarHBondContact O-N 2.96Å
134	P	81.4	Confident	81	Confident	46 Å²	46	52.7 Å²	52.7	30%	0.299	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	136	172.7	27.3	-33.5	0	0	0	110	T136	P134-T136 PolarHBondContact O-N 2.79Å
135	V	81.1	Confident	81.1	Confident	22 Å²	22	52.3 Å²	52.3	13%	0.133	30%	0.302	C	S	.	.			trans	-72.8	122.3	175.5	170	0	0	0	0	109.2	P86 L88 V98 H133 F310	P86-V135 HydrophobicContact CB-CB 4.32Å; P86-V135 HydrophobicContact CB-CG2 4.25Å; P86-V135 HydrophobicContact CG-CB 4.14Å; P86-V135 HydrophobicContact CG-CG1 4.44Å; P86-V135 PolarHBondContact O-N 2.93Å; L88-V135 HydrophobicContact CB-CG2 4.13Å; V98-V135 HydrophobicContact CG1-CG2 4.41Å; H133-V135 PolarHBondContact O-N 2.96Å; V135-F310 HydrophobicContact CB-CE2 4.43Å; V135-F310 HydrophobicContact CG1-CD2 3.43Å; V135-F310 VanDerWaalsContact CG1-CD2 3.43Å; V135-F310 HydrophobicContact CG1-CE2 3.5Å; V135-F310 HydrophobicContact CG1-CG 4.09Å; V135-F310 HydrophobicContact CG1-CZ 4.2Å; V135-F310 HydrophobicContact CG2-CE1 4.41Å; V135-F310 HydrophobicContact CG2-CE2 4.28Å; V135-F310 HydrophobicContact CG2-CZ 4.14Å
136	T	76.7	Confident	81.3	Confident	104 Å²	104	46.4 Å²	46.4	64%	0.638	28%	0.278	S	S	*	.			trans	-115.4	-14.9	179.9	54.3	0	0	0	0	113.4	P134 S306	P134-T136 PolarHBondContact O-N 2.79Å; T136-S306 PolarHBondContact N-O 3.08Å; T136-S306 PolarHBondContact OG1-O 3.13Å
137	G	75.6	Confident	81.5	Confident	14 Å²	14	43.1 Å²	43.1	14%	0.144	26%	0.257	C	S	.	.	S	Bend	trans	-71.7	167.6	176.2	0	0	0	0	0	114.9	S306 S307 D308	G137-S306 PolarHBondContact N-O 2.94Å; G137-S307 WeakPolarHBondContact CA-O 3.32Å; G137-D308 WeakPolarHBondContact CA-O 3.5Å
138	P	76.1	Confident	81.5	Confident	76 Å²	76	40.7 Å²	40.7	49%	0.494	23%	0.231	S	C	.	.			trans	-69.6	145.4	-179.7	29	-33.3	0	0	0	111.8	T309 F310	P138-T309 HydrophobicContact CG-CG2 4.35Å; P138-F310 PolarHBondContact O-N 3.4Å
139	V	79.2	Confident	80.5	Confident	72 Å²	72	42.6 Å²	42.6	44%	0.436	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.7	176.2	-174.5	0	0	0	0	109.2	I173 F310	V139-I173 HydrophobicContact CG1-CD1 4.15Å; V139-I173 HydrophobicContact CG1-CG1 4.34Å; V139-I173 HydrophobicContact CG2-CD1 4.07Å; V139-F310 CarbonylContact C-O 3.57Å; V139-F310 WeakPolarHBondContact CA-O 3.49Å; V139-F310 HydrophobicContact CG2-CB 4.35Å
140	V	83.8	Confident	79.2	Confident	18 Å²	18	43.8 Å²	43.8	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.7	-176	175.8	0	0	0	0	109.5	D200 T309 F310 Y311 S312	V140-D200 VanDerWaalsContact CG2-OD2 3.29Å; V140-D200 WeakPolarHBondContact CG2-OD2 3.46Å; V140-T309 HydrophobicContact CB-CG2 4.12Å; V140-T309 HydrophobicContact CG2-CG2 3.47Å; V140-T309 VanDerWaalsContact CG2-CG2 3.47Å; V140-F310 PolarHBondContact N-O 3.48Å; V140-Y311 HydrophobicContact CB-CD1 4.34Å; V140-Y311 HydrophobicContact CB-CE1 4.41Å; V140-Y311 HydrophobicContact CG1-CD1 4.44Å; V140-Y311 HydrophobicContact CG1-CE1 4.35Å; V140-Y311 CarbonylContact O-C 3.56Å; V140-Y311 VanDerWaalsContact O-CA 3.32Å; V140-Y311 WeakPolarHBondContact O-CA 3.46Å; V140-S312 PolarHBondContact O-N 3.37Å; V140-S312 PolarHBondContact O-OG 3.17Å
141	Q	84.1	Confident	77.6	Confident	73 Å²	73	47.8 Å²	47.8	34%	0.341	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	148.8	-180	-54.3	-170.5	47.1	0	0	111.6	G198 E199 T314	Q141-G198 VanDerWaalsContact O-CA 3.31Å; Q141-G198 WeakPolarHBondContact O-CA 3.44Å; Q141-E199 HydrophobicContact CB-CG 4.14Å; Q141-E199 PolarHBondContact O-N 2.98Å; Q141-T314 PolarHBondContact OE1-OG1 3.24Å
142	I	82.7	Confident	75.8	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.3	179.5	-59.4	168.4	0	0	0	110.1	E144 L145 I196 R197 S312 V313 T317	I142-E144 WeakPolarHBondContact CG2-O 3.16Å; I142-L145 HydrophobicContact CG2-CB 4.08Å; I142-I196 HydrophobicContact CB-CG2 4.45Å; I142-I196 HydrophobicContact CD1-CG2 3.74Å; I142-I196 HydrophobicContact CG1-CG2 3.65Å; I142-I196 HydrophobicContact CG2-CG2 3.96Å; I142-R197 CarbonylContact C-O 3.56Å; I142-R197 WeakPolarHBondContact CA-O 3.34Å; I142-R197 WeakPolarHBondContact CG2-O 3.28Å; I142-S312 WeakPolarHBondContact CG1-O 3.39Å; I142-S312 PolarHBondContact N-O 2.8Å; I142-V313 HydrophobicContact CD1-CG2 3.81Å; I142-T317 HydrophobicContact CB-CG2 3.93Å; I142-T317 HydrophobicContact CG2-CG2 3.63Å; I142-T317 WeakPolarHBondContact O-CA 3.46Å; I142-T317 VanDerWaalsContact O-CB 3.32Å; I142-T317 WeakPolarHBondContact O-CB 3.18Å; I142-T317 WeakPolarHBondContact O-CG2 3.28Å; I142-T317 PolarHBondContact O-OG1 3.45Å
143	E	83.4	Confident	73.6	Confident	82 Å²	82	57 Å²	57	38%	0.383	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-49.5	170.2	-174	-170.7	177.5	0	0	110.1	R197 K318	E143-R197 VanDerWaalsContact CD-NH2 3.31Å; E143-R197 PolarHBondContact N-O 2.74Å; E143-R197 IonicContact OE1-CZ 3.71Å; E143-R197 IonicContact OE1-NE 3.96Å; E143-R197 IonicContact OE1-NH2 2.9Å; E143-R197 PolarHBondContact OE1-NH2 3.05Å; E143-R197 IonicContact OE2-CZ 3.13Å; E143-R197 IonicContact OE2-NE 2.7Å; E143-R197 PolarHBondContact OE2-NE 3.11Å; E143-R197 IonicContact OE2-NH2 2.64Å; E143-R197 PolarHBondContact OE2-NH2 2.85Å; E143-K318 WeakPolarHBondContact O-CB 3.29Å; E143-K318 PolarHBondContact O-N 3.12Å
144	E	83.1	Confident	71.5	Confident	34 Å²	34	59.1 Å²	59.1	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.1	-174.3	-168.3	161.5	-120.9	0	0	111.9	I142 R197 K318 Q320	I142-E144 WeakPolarHBondContact CG2-O 3.16Å; E144-R197 HydrophobicContact CB-CB 4.08Å; E144-R197 PolarHBondContact N-O 2.69Å; E144-R197 PolarHBondContact O-N 2.98Å; E144-K318 WeakPolarHBondContact CA-O 3.47Å; E144-K318 WeakPolarHBondContact OE1-CD 3.4Å; E144-K318 WeakPolarHBondContact OE1-CE 3.47Å; E144-K318 IonicContact OE1-NZ 2.77Å; E144-K318 PolarHBondContact OE1-NZ 2.9Å; E144-Q320 HydrophobicContact CG-CG 4.38Å; E144-Q320 PolarHBondContact OE1-NE2 2.82Å
145	L	83.6	Confident	69.4	Low	0 Å²	0	67 Å²	67	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.8	-176.9	-177	65.8	0	0	0	110	I142 L147 I174 V193 I196 V313 T317 K318 V319 Q320	I142-L145 HydrophobicContact CG2-CB 4.08Å; L145-L147 HydrophobicContact CD1-CD2 4.37Å; L145-L147 HydrophobicContact CD2-CD1 4.43Å; L145-L147 HydrophobicContact CD2-CD2 4.09Å; L145-L147 HydrophobicContact CD2-CG 4.34Å; L145-L147 HydrophobicContact CG-CD2 3.99Å; L145-L147 HydrophobicContact CG-CG 4.23Å; L145-I174 HydrophobicContact CD2-CD1 4.37Å; L145-V193 HydrophobicContact CD1-CG1 3.92Å; L145-I196 HydrophobicContact CD1-CG1 4.02Å; L145-V313 HydrophobicContact CD2-CG2 4.27Å; L145-T317 HydrophobicContact CB-CG2 3.92Å; L145-K318 PolarHBondContact N-O 3.07Å; L145-V319 WeakPolarHBondContact O-CA 3.45Å; L145-Q320 PolarHBondContact O-N 2.89Å
146	V	83.1	Confident	68.1	Low	24 Å²	24	69.3 Å²	69.3	15%	0.145	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.3	179.2	-171.9	0	0	0	0	110.8	E194 T195 Q320 S322	V146-E194 PolarHBondContact O-N 3.33Å; V146-T195 VanDerWaalsContact CB-OG1 3.28Å; V146-T195 WeakPolarHBondContact CB-OG1 3.46Å; V146-T195 WeakPolarHBondContact CG2-OG1 3.33Å; V146-T195 PolarHBondContact N-O 3.32Å; V146-Q320 WeakPolarHBondContact CA-O 3.37Å; V146-Q320 HydrophobicContact CG2-CB 4.36Å; V146-S322 WeakPolarHBondContact CG1-OG 3.45Å
147	L	82.8	Confident	67.2	Low	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135	-177.9	-59	-178.9	0	0	0	111.5	L145 L165 L191 V193 V319 Q320 F321 S322	L145-L147 HydrophobicContact CD1-CD2 4.37Å; L145-L147 HydrophobicContact CD2-CD1 4.43Å; L145-L147 HydrophobicContact CD2-CD2 4.09Å; L145-L147 HydrophobicContact CD2-CG 4.34Å; L145-L147 HydrophobicContact CG-CD2 3.99Å; L145-L147 HydrophobicContact CG-CG 4.23Å; L147-L165 HydrophobicContact CD1-CD1 3.71Å; L147-L165 HydrophobicContact CD1-CD2 3.89Å; L147-L165 HydrophobicContact CD1-CG 4.47Å; L147-L191 HydrophobicContact CD1-CB 4.48Å; L147-L191 HydrophobicContact CD1-CD1 4.15Å; L147-V193 HydrophobicContact CD2-CB 4.23Å; L147-V193 HydrophobicContact CD2-CG2 3.69Å; L147-V319 HydrophobicContact CD1-CG1 3.98Å; L147-V319 HydrophobicContact CG-CG1 4.37Å; L147-Q320 PolarHBondContact N-O 2.91Å; L147-F321 HydrophobicContact CB-CD1 3.96Å; L147-F321 HydrophobicContact CB-CE1 4.12Å; L147-F321 HydrophobicContact CD1-CE1 4.13Å; L147-F321 CarbonylContact O-C 3.6Å; L147-F321 WeakPolarHBondContact O-CA 3.49Å; L147-S322 PolarHBondContact O-N 3.44Å; L147-S322 PolarHBondContact O-OG 3.2Å
148	S	74.8	Confident	66.7	Low	7 Å²	7	72 Å²	72	5%	0.049	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	171.6	176.9	62	0	0	0	0	112.5	R192 E194 S322	S148-R192 PolarHBondContact N-O 3.28Å; S148-R192 PolarHBondContact O-N 3.42Å; S148-R192 PolarHBondContact OG-O 3.37Å; S148-E194 VanDerWaalsContact CB-CD 3.49Å; S148-E194 VanDerWaalsContact OG-CG 3.31Å; S148-E194 WeakPolarHBondContact OG-CG 3.34Å; S148-S322 WeakPolarHBondContact CA-O 3.34Å; S148-S322 WeakPolarHBondContact CB-OG 3.28Å
149	N	62.7	Low	66.5	Low	124 Å²	124	73.1 Å²	73.1	66%	0.663	38%	0.379	S	S	*	.			trans	77.9	31.9	177.3	-147.7	50.4	0	0	0	115.4	S190	N149-S190 PolarHBondContact ND2-O 2.84Å
150	W	54.8	Low	66.3	Low	71 Å²	71	75.2 Å²	75.2	27%	0.269	39%	0.385	S	S	.	.			trans	-83.1	112.8	172.9	-169.1	-94.9	0	0	0	112	F161 L191 F321	W150-F161 HydrophobicContact CE3-CD1 4.47Å; W150-F161 HydrophobicContact CE3-CE1 4.05Å; W150-F161 AromaticContact CH2-CD1 3.35Å; W150-F161 HydrophobicContact CH2-CD1 3.35Å; W150-F161 AromaticContact CH2-CD2 3.8Å; W150-F161 HydrophobicContact CH2-CD2 3.8Å; W150-F161 AromaticContact CH2-CE1 3.4Å; W150-F161 HydrophobicContact CH2-CE1 3.4Å; W150-F161 VanDerWaalsContact CH2-CE1 3.4Å; W150-F161 AromaticContact CH2-CE2 3.81Å; W150-F161 HydrophobicContact CH2-CE2 3.81Å; W150-F161 AromaticContact CH2-CG 3.57Å; W150-F161 HydrophobicContact CH2-CG 3.57Å; W150-F161 AromaticContact CH2-CZ 3.63Å; W150-F161 HydrophobicContact CH2-CZ 3.63Å; W150-F161 HydrophobicContact CZ2-CD1 4.16Å; W150-F161 HydrophobicContact CZ2-CG 4.32Å; W150-F161 AromaticContact CZ3-CD1 3.56Å; W150-F161 HydrophobicContact CZ3-CD1 3.56Å; W150-F161 HydrophobicContact CZ3-CD2 4.4Å; W150-F161 AromaticContact CZ3-CE1 3.1Å; W150-F161 HydrophobicContact CZ3-CE1 3.1Å; W150-F161 HydrophobicContact CZ3-CE2 4.02Å; W150-F161 HydrophobicContact CZ3-CG 4.2Å; W150-F161 AromaticContact CZ3-CZ 3.37Å; W150-F161 HydrophobicContact CZ3-CZ 3.37Å; W150-L191 HydrophobicContact CE3-CD1 4.4Å; W150-L191 HydrophobicContact CE3-CD2 3.65Å; W150-L191 HydrophobicContact CZ3-CD1 4.32Å; W150-L191 HydrophobicContact CZ3-CD2 4.12Å; W150-F321 HydrophobicContact CB-CD1 4.45Å; W150-F321 HydrophobicContact CE3-CD1 4.34Å; W150-F321 HydrophobicContact CE3-CE1 4.08Å; W150-F321 HydrophobicContact CE3-CZ 4.46Å
151	S	50.6	Low	66	Low	85 Å²	85	74.4 Å²	74.4	59%	0.594	38%	0.379	S	S	*	.			trans	-78.9	122.5	166.8	49	0	0	0	0	110	D153	S151-D153 PolarHBondContact O-N 2.68Å
152	K	45.5	Very low	65.8	Low	171 Å²	171	74 Å²	74	74%	0.743	38%	0.376	S	S	*	.			trans	-75.9	37.5	179	-76.6	-177.1	171.4	178.2	0	113.2
153	D	38.5	Very low	65.6	Low	116 Å²	116	78.2 Å²	78.2	62%	0.62	40%	0.399	S	S	*	.			trans	-98.4	119.7	-175.3	-65.7	-43.5	0	0	0	112.2	S151 R187	S151-D153 PolarHBondContact O-N 2.68Å; D153-R187 PolarHBondContact O-NH1 3.01Å
154	D	37.3	Very low	65.5	Low	99 Å²	99	77.3 Å²	77.3	53%	0.529	39%	0.394	S	S	.	.	S	Bend	trans	64.4	108.4	-179	-55.5	-40.3	0	0	0	118.3	L156 R187	D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 WeakPolarHBondContact O-CG 3.17Å; D154-L156 PolarHBondContact O-N 3.4Å; D154-R187 IonicContact OD2-CZ 3.05Å; D154-R187 IonicContact OD2-NH1 2.74Å; D154-R187 PolarHBondContact OD2-NH1 3.29Å; D154-R187 IonicContact OD2-NH2 2.89Å; D154-R187 PolarHBondContact OD2-NH2 3.38Å
155	K	39.1	Very low	65.3	Low	213 Å²	213	75.7 Å²	75.7	93%	0.926	39%	0.387	S	S	*	.			trans	30.5	53	136.4	-58.4	-175	-179.5	-179.9	0	117.8
156	L	52.1	Low	65.2	Low	70 Å²	70	76.4 Å²	76.4	37%	0.366	39%	0.391	S	S	.	.			trans	-117	127.3	168.4	-70.6	171.8	0	0	0	108.3	D154 A158 Y184 F185	D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 WeakPolarHBondContact O-CG 3.17Å; D154-L156 PolarHBondContact O-N 3.4Å; L156-A158 PolarHBondContact O-N 2.89Å; L156-A158 VanDerWaalsContact O-N 3.08Å; L156-Y184 HydrophobicContact CD1-CD1 3.92Å; L156-Y184 HydrophobicContact CD1-CE1 3.85Å; L156-Y184 HydrophobicContact CD2-CE1 3.84Å; L156-Y184 HydrophobicContact CG-CE1 4.27Å; L156-F185 HydrophobicContact CD2-CD2 4.39Å
157	D	57.7	Low	64.9	Low	121 Å²	121	84.7 Å²	84.7	65%	0.647	42%	0.419	S	S	*	.			trans	-62.5	114.5	177.4	-79.9	-42.3	0	0	0	109.3	D159 E160 F161	D157-D159 PolarHBondContact O-N 3.48Å; D157-E160 HydrophobicContact CB-CB 4.28Å; D157-E160 HydrophobicContact CB-CG 4.09Å; D157-E160 PolarHBondContact O-N 2.8Å; D157-F161 PolarHBondContact O-N 2.96Å; D157-F161 VanDerWaalsContact O-N 3.11Å
158	A	66.3	Low	64.6	Low	54 Å²	54	86.4 Å²	86.4	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-58.6	-26	-172.2	0	0	0	0	0	112.4	L156 K162	L156-A158 PolarHBondContact O-N 2.89Å; L156-A158 VanDerWaalsContact O-N 3.08Å; A158-K162 WeakPolarHBondContact O-CD 3.13Å; A158-K162 WeakPolarHBondContact O-CE 3.49Å; A158-K162 WeakPolarHBondContact O-CG 3.26Å; A158-K162 PolarHBondContact O-N 2.78Å; A158-K162 VanDerWaalsContact O-N 3.12Å
159	D	70.8	Confident	64.7	Low	98 Å²	98	86.5 Å²	86.5	52%	0.524	43%	0.43	S	S	.	.	H	α-helix	trans	-84.6	-32	179.2	-62	-35.6	0	0	0	113	D157 F161 K162 N163	D157-D159 PolarHBondContact O-N 3.48Å; D159-F161 VanDerWaalsContact C-N 3.34Å; D159-K162 IonicContact OD1-NZ 3.07Å; D159-K162 PolarHBondContact OD1-NZ 2.87Å; D159-N163 WeakPolarHBondContact O-CB 3.49Å; D159-N163 VanDerWaalsContact O-CG 3.29Å; D159-N163 PolarHBondContact O-N 2.84Å; D159-N163 PolarHBondContact O-ND2 3.4Å
160	E	75.4	Confident	65.2	Low	117 Å²	117	82.6 Å²	82.6	55%	0.547	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-41.9	168.5	-70.4	-153.9	156.4	0	0	111	D157 N163 F164	D157-E160 HydrophobicContact CB-CB 4.28Å; D157-E160 HydrophobicContact CB-CG 4.09Å; D157-E160 PolarHBondContact O-N 2.8Å; E160-N163 PolarHBondContact O-N 2.93Å; E160-F164 WeakPolarHBondContact O-CB 3.49Å; E160-F164 PolarHBondContact O-N 3.08Å
161	F	78.1	Confident	66	Low	0 Å²	0	82 Å²	82	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-65.5	-43	177.4	-176	-96.6	0	0	0	112.6	W150 D157 D159 N163 F164 L165 Y184 L191 F321	W150-F161 HydrophobicContact CE3-CD1 4.47Å; W150-F161 HydrophobicContact CE3-CE1 4.05Å; W150-F161 AromaticContact CH2-CD1 3.35Å; W150-F161 HydrophobicContact CH2-CD1 3.35Å; W150-F161 AromaticContact CH2-CD2 3.8Å; W150-F161 HydrophobicContact CH2-CD2 3.8Å; W150-F161 AromaticContact CH2-CE1 3.4Å; W150-F161 HydrophobicContact CH2-CE1 3.4Å; W150-F161 VanDerWaalsContact CH2-CE1 3.4Å; W150-F161 AromaticContact CH2-CE2 3.81Å; W150-F161 HydrophobicContact CH2-CE2 3.81Å; W150-F161 AromaticContact CH2-CG 3.57Å; W150-F161 HydrophobicContact CH2-CG 3.57Å; W150-F161 AromaticContact CH2-CZ 3.63Å; W150-F161 HydrophobicContact CH2-CZ 3.63Å; W150-F161 HydrophobicContact CZ2-CD1 4.16Å; W150-F161 HydrophobicContact CZ2-CG 4.32Å; W150-F161 AromaticContact CZ3-CD1 3.56Å; W150-F161 HydrophobicContact CZ3-CD1 3.56Å; W150-F161 HydrophobicContact CZ3-CD2 4.4Å; W150-F161 AromaticContact CZ3-CE1 3.1Å; W150-F161 HydrophobicContact CZ3-CE1 3.1Å; W150-F161 HydrophobicContact CZ3-CE2 4.02Å; W150-F161 HydrophobicContact CZ3-CG 4.2Å; W150-F161 AromaticContact CZ3-CZ 3.37Å; W150-F161 HydrophobicContact CZ3-CZ 3.37Å; D157-F161 PolarHBondContact O-N 2.96Å; D157-F161 VanDerWaalsContact O-N 3.11Å; D159-F161 VanDerWaalsContact C-N 3.34Å; F161-N163 VanDerWaalsContact C-N 3.33Å; F161-N163 PolarHBondContact O-N 3.03Å; F161-F164 HydrophobicContact CD2-CD1 4.47Å; F161-F164 HydrophobicContact CE2-CD1 4.23Å; F161-F164 PolarHBondContact O-N 3Å; F161-L165 HydrophobicContact CE1-CB 4.24Å; F161-L165 HydrophobicContact CE1-CD1 3.66Å; F161-L165 HydrophobicContact CZ-CB 4.47Å; F161-L165 HydrophobicContact CZ-CD1 3.92Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.97Å; F161-Y184 HydrophobicContact CB-CE1 4.27Å; F161-Y184 AromaticContact CD2-CD1 3.5Å; F161-Y184 HydrophobicContact CD2-CD1 3.5Å; F161-Y184 HydrophobicContact CD2-CD2 4.04Å; F161-Y184 AromaticContact CD2-CE1 3.65Å; F161-Y184 HydrophobicContact CD2-CE1 3.65Å; F161-Y184 HydrophobicContact CD2-CE2 4.2Å; F161-Y184 AromaticContact CD2-CG 3.68Å; F161-Y184 HydrophobicContact CD2-CG 3.68Å; F161-Y184 AromaticContact CE2-CD1 3.99Å; F161-Y184 HydrophobicContact CE2-CD1 3.99Å; F161-Y184 HydrophobicContact CE2-CD2 4.37Å; F161-Y184 AromaticContact CE2-CG 3.85Å; F161-Y184 HydrophobicContact CE2-CG 3.85Å; F161-Y184 HydrophobicContact CG-CE1 4.44Å; F161-L191 HydrophobicContact CE1-CD1 4.08Å; F161-L191 HydrophobicContact CZ-CD1 4.1Å; F161-F321 HydrophobicContact CD1-CE2 4.28Å; F161-F321 AromaticContact CD1-CZ 3.73Å; F161-F321 HydrophobicContact CD1-CZ 3.73Å; F161-F321 HydrophobicContact CE1-CE1 4.22Å; F161-F321 AromaticContact CE1-CZ 3.72Å; F161-F321 HydrophobicContact CE1-CZ 3.72Å
162	K	79.1	Confident	67.2	Low	64 Å²	64	78.5 Å²	78.5	28%	0.278	41%	0.407	S	S	.	.	H	α-helix	trans	-56.4	-47.8	172.7	-74	165.8	-156.2	163.2	0	111.2	A158 D159 F164 L165 V166 V319 F321	A158-K162 WeakPolarHBondContact O-CD 3.13Å; A158-K162 WeakPolarHBondContact O-CE 3.49Å; A158-K162 WeakPolarHBondContact O-CG 3.26Å; A158-K162 PolarHBondContact O-N 2.78Å; A158-K162 VanDerWaalsContact O-N 3.12Å; D159-K162 IonicContact OD1-NZ 3.07Å; D159-K162 PolarHBondContact OD1-NZ 2.87Å; K162-F164 VanDerWaalsContact C-N 3.34Å; K162-F164 PolarHBondContact O-N 3.47Å; K162-L165 PolarHBondContact O-N 2.93Å; K162-V166 WeakPolarHBondContact O-CG2 3.45Å; K162-V166 PolarHBondContact O-N 3.17Å; K162-V319 HydrophobicContact CG-CB 4.47Å; K162-F321 HydrophobicContact CG-CE2 3.87Å; K162-F321 HydrophobicContact CG-CZ 4.5Å
163	N	79.3	Confident	68.9	Low	92 Å²	92	71.7 Å²	71.7	49%	0.492	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-38.8	179.2	-76.6	-45.1	0	0	0	112.4	D159 E160 F161 R167	D159-N163 WeakPolarHBondContact O-CB 3.49Å; D159-N163 VanDerWaalsContact O-CG 3.29Å; D159-N163 PolarHBondContact O-N 2.84Å; D159-N163 PolarHBondContact O-ND2 3.4Å; E160-N163 PolarHBondContact O-N 2.93Å; F161-N163 VanDerWaalsContact C-N 3.33Å; F161-N163 PolarHBondContact O-N 3.03Å; N163-R167 WeakPolarHBondContact O-CB 3.36Å; N163-R167 WeakPolarHBondContact O-CD 3.48Å; N163-R167 WeakPolarHBondContact O-CG 3.35Å; N163-R167 PolarHBondContact O-N 3.02Å; N163-R167 VanDerWaalsContact O-N 3.14Å
164	F	81.4	Confident	71	Confident	63 Å²	63	66.5 Å²	66.5	28%	0.276	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-46	172.2	172.9	-97.4	0	0	0	112.1	E160 F161 K162 R167 T168 S183 Y184	E160-F164 WeakPolarHBondContact O-CB 3.49Å; E160-F164 PolarHBondContact O-N 3.08Å; F161-F164 HydrophobicContact CD2-CD1 4.47Å; F161-F164 HydrophobicContact CE2-CD1 4.23Å; F161-F164 PolarHBondContact O-N 3Å; K162-F164 VanDerWaalsContact C-N 3.34Å; K162-F164 PolarHBondContact O-N 3.47Å; F164-R167 PolarHBondContact O-N 2.79Å; F164-T168 PolarHBondContact O-N 3.02Å; F164-T168 PolarHBondContact O-OG1 3.4Å; F164-S183 VanDerWaalsContact CZ-O 3.24Å; F164-S183 WeakPolarHBondContact CZ-O 3.42Å; F164-Y184 HydrophobicContact CB-CD2 4.11Å; F164-Y184 HydrophobicContact CB-CE2 3.78Å; F164-Y184 AromaticContact CD1-CD2 3.43Å; F164-Y184 HydrophobicContact CD1-CD2 3.43Å; F164-Y184 VanDerWaalsContact CD1-CD2 3.43Å; F164-Y184 HydrophobicContact CD1-CE2 4.02Å; F164-Y184 HydrophobicContact CD1-CG 4.22Å; F164-Y184 AromaticContact CD2-CD2 3.93Å; F164-Y184 HydrophobicContact CD2-CD2 3.93Å; F164-Y184 HydrophobicContact CD2-CE2 4.15Å; F164-Y184 AromaticContact CE1-CD2 3.76Å; F164-Y184 HydrophobicContact CE1-CD2 3.76Å; F164-Y184 HydrophobicContact CE1-CG 4.34Å; F164-Y184 HydrophobicContact CE2-CD2 4.22Å; F164-Y184 AromaticContact CG-CD2 3.53Å; F164-Y184 HydrophobicContact CG-CD2 3.53Å; F164-Y184 AromaticContact CG-CE2 3.71Å; F164-Y184 HydrophobicContact CG-CE2 3.71Å; F164-Y184 HydrophobicContact CZ-CD2 4.14Å
165	L	78.6	Confident	73	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-44.1	-177.7	-175.4	145.6	0	0	0	111.9	L147 F161 K162 R167 T168 L169 L182 L191 V319	L147-L165 HydrophobicContact CD1-CD1 3.71Å; L147-L165 HydrophobicContact CD1-CD2 3.89Å; L147-L165 HydrophobicContact CD1-CG 4.47Å; F161-L165 HydrophobicContact CE1-CB 4.24Å; F161-L165 HydrophobicContact CE1-CD1 3.66Å; F161-L165 HydrophobicContact CZ-CB 4.47Å; F161-L165 HydrophobicContact CZ-CD1 3.92Å; F161-L165 WeakPolarHBondContact O-CB 3.47Å; F161-L165 PolarHBondContact O-N 2.97Å; K162-L165 PolarHBondContact O-N 2.93Å; L165-R167 PolarHBondContact O-N 3.45Å; L165-T168 PolarHBondContact O-N 3.43Å; L165-L169 HydrophobicContact CD2-CD1 3.6Å; L165-L169 HydrophobicContact CG-CD1 3.89Å; L165-L169 WeakPolarHBondContact O-CB 3.32Å; L165-L169 WeakPolarHBondContact O-CG 3.1Å; L165-L169 PolarHBondContact O-N 2.78Å; L165-L182 HydrophobicContact CD1-CD1 3.75Å; L165-L182 HydrophobicContact CG-CD1 3.92Å; L165-L191 HydrophobicContact CD1-CD1 3.43Å; L165-L191 VanDerWaalsContact CD1-CD1 3.43Å; L165-V319 HydrophobicContact CD2-CG1 4.16Å; L165-V319 HydrophobicContact CD2-CG2 3.85Å
166	V	81.6	Confident	74.8	Confident	14 Å²	14	54.3 Å²	54.3	9%	0.085	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-44	174.3	172.3	0	0	0	0	111	K162 T168 L169 A170 V319	K162-V166 WeakPolarHBondContact O-CG2 3.45Å; K162-V166 PolarHBondContact O-N 3.17Å; V166-T168 VanDerWaalsContact C-N 3.33Å; V166-T168 PolarHBondContact O-N 2.93Å; V166-L169 PolarHBondContact O-N 2.98Å; V166-A170 WeakPolarHBondContact O-CB 3.47Å; V166-A170 PolarHBondContact O-N 3.34Å; V166-V319 HydrophobicContact CG2-CG2 3.59Å
167	R	77.3	Confident	75.7	Confident	198 Å²	198	52 Å²	52	75%	0.747	29%	0.29	S	S	*	.	H	α-helix	trans	-63.7	-34.7	176.4	-74.9	172.4	-176.5	171.9	3.6	113.5	N163 F164 L165	N163-R167 WeakPolarHBondContact O-CB 3.36Å; N163-R167 WeakPolarHBondContact O-CD 3.48Å; N163-R167 WeakPolarHBondContact O-CG 3.35Å; N163-R167 PolarHBondContact O-N 3.02Å; N163-R167 VanDerWaalsContact O-N 3.14Å; F164-R167 PolarHBondContact O-N 2.79Å; L165-R167 PolarHBondContact O-N 3.45Å
168	T	76.7	Confident	76.6	Confident	37 Å²	37	47.3 Å²	47.3	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-79.6	-33.6	-178.7	-50	0	0	0	0	112	F164 L165 V166 L182	F164-T168 PolarHBondContact O-N 3.02Å; F164-T168 PolarHBondContact O-OG1 3.4Å; L165-T168 PolarHBondContact O-N 3.43Å; V166-T168 VanDerWaalsContact C-N 3.33Å; V166-T168 PolarHBondContact O-N 2.93Å; T168-L182 HydrophobicContact CG2-CD2 3.47Å; T168-L182 VanDerWaalsContact CG2-CD2 3.47Å
169	L	75.9	Confident	77.2	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-91.3	-8.8	-179.4	-61.2	178.4	0	0	0	114.2	L165 V166 G171 S172 I174 V180 L182 V313	L165-L169 HydrophobicContact CD2-CD1 3.6Å; L165-L169 HydrophobicContact CG-CD1 3.89Å; L165-L169 WeakPolarHBondContact O-CB 3.32Å; L165-L169 WeakPolarHBondContact O-CG 3.1Å; L165-L169 PolarHBondContact O-N 2.78Å; V166-L169 PolarHBondContact O-N 2.98Å; L169-G171 PolarHBondContact O-N 3.17Å; L169-S172 WeakPolarHBondContact O-CB 3.42Å; L169-S172 PolarHBondContact O-N 2.97Å; L169-S172 PolarHBondContact O-OG 3.32Å; L169-I174 HydrophobicContact CD1-CD1 4.11Å; L169-V180 HydrophobicContact CD1-CG1 4.14Å; L169-V180 HydrophobicContact CD2-CG1 3.72Å; L169-L182 HydrophobicContact CD2-CD2 4.47Å; L169-V313 HydrophobicContact CB-CB 4.3Å; L169-V313 HydrophobicContact CB-CG1 4.1Å; L169-V313 HydrophobicContact CB-CG2 4.33Å
170	A	74.3	Confident	77.6	Confident	43 Å²	43	42.5 Å²	42.5	36%	0.355	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	122.7	179.1	0	0	0	0	0	112.5	V166 S172 V313	V166-A170 WeakPolarHBondContact O-CB 3.47Å; V166-A170 PolarHBondContact O-N 3.34Å; A170-S172 VanDerWaalsContact C-N 3.33Å; A170-V313 WeakPolarHBondContact CA-O 3.46Å
171	G	70.4	Confident	77.4	Confident	57 Å²	57	38.7 Å²	38.7	59%	0.588	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	-3.7	-176.2	0	0	0	0	0	115.4	L169 V313	L169-G171 PolarHBondContact O-N 3.17Å; G171-V313 PolarHBondContact N-O 3.4Å
172	S	75.9	Confident	77.3	Confident	13 Å²	13	39 Å²	39	9%	0.091	22%	0.223	C	C	.	.			trans	-80	138.5	171.6	-60.1	0	0	0	0	110.8	L169 A170 S312 V313	L169-S172 WeakPolarHBondContact O-CB 3.42Å; L169-S172 PolarHBondContact O-N 2.97Å; L169-S172 PolarHBondContact O-OG 3.32Å; A170-S172 VanDerWaalsContact C-N 3.33Å; S172-S312 WeakPolarHBondContact O-CA 3.19Å; S172-V313 PolarHBondContact O-N 3.02Å; S172-V313 VanDerWaalsContact O-N 3.08Å
173	I	81.9	Confident	76.9	Confident	28 Å²	28	39.6 Å²	39.6	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.6	171.1	-64.2	178.8	0	0	0	108.2	P86 V98 V139 F310 Y311	P86-I173 HydrophobicContact CB-CD1 3.71Å; P86-I173 HydrophobicContact CG-CD1 3.89Å; V98-I173 HydrophobicContact CB-CB 4.24Å; V98-I173 HydrophobicContact CB-CG2 4.04Å; V98-I173 HydrophobicContact CG1-CB 3.92Å; V98-I173 HydrophobicContact CG1-CD1 4.24Å; V98-I173 HydrophobicContact CG1-CG2 4Å; V98-I173 HydrophobicContact CG2-CG2 3.99Å; V139-I173 HydrophobicContact CG1-CD1 4.15Å; V139-I173 HydrophobicContact CG1-CG1 4.34Å; V139-I173 HydrophobicContact CG2-CD1 4.07Å; I173-F310 HydrophobicContact CD1-CB 4.49Å; I173-F310 HydrophobicContact CG2-CB 3.89Å; I173-F310 HydrophobicContact CG2-CD1 4.03Å; I173-F310 HydrophobicContact CG2-CG 4.37Å; I173-Y311 VanDerWaalsContact CA-O 3.32Å; I173-Y311 WeakPolarHBondContact CA-O 3.38Å
174	I	82.1	Confident	76.6	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.4	-174.3	-60.7	-171.1	0	0	0	109.9	L145 L169 V193 I196 Y311 V313	L145-I174 HydrophobicContact CD2-CD1 4.37Å; L169-I174 HydrophobicContact CD1-CD1 4.11Å; I174-V193 HydrophobicContact CG2-CB 4.27Å; I174-V193 HydrophobicContact CG2-CG1 4.01Å; I174-V193 HydrophobicContact CG2-CG2 3.52Å; I174-I196 HydrophobicContact CG2-CD1 4.13Å; I174-I196 WeakPolarHBondContact O-CD1 3.39Å; I174-Y311 PolarHBondContact N-O 3.11Å; I174-V313 HydrophobicContact CD1-CG2 3.49Å; I174-V313 VanDerWaalsContact CD1-CG2 3.49Å; I174-V313 HydrophobicContact CG1-CG2 4.09Å
175	L	79.9	Confident	76	Confident	18 Å²	18	40.8 Å²	40.8	9%	0.094	24%	0.236	C	C	.	.			trans	-102	147.8	173.1	-64.7	-178.3	0	0	0	111	L88 Q96 V98 G177 S178 F310	L88-L175 HydrophobicContact CD1-CD1 4.41Å; Q96-L175 HydrophobicContact CB-CD1 4.24Å; V98-L175 HydrophobicContact CG2-CD1 4.14Å; V98-L175 HydrophobicContact CG2-CD2 4.42Å; V98-L175 HydrophobicContact CG2-CG 4.19Å; L175-G177 PolarHBondContact O-N 3.17Å; L175-S178 PolarHBondContact O-N 3.12Å; L175-S178 PolarHBondContact O-OG 2.73Å; L175-F310 HydrophobicContact CD2-CD1 4.12Å; L175-F310 HydrophobicContact CD2-CE1 4.23Å
176	P	76	Confident	75.2	Confident	37 Å²	37	44.6 Å²	44.6	24%	0.24	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	129.7	177.7	28.8	-37.1	0	0	0	111	V204	P176-V204 HydrophobicContact CB-CG1 4.41Å; P176-V204 HydrophobicContact CG-CG1 3.86Å
177	G	72.1	Confident	74.7	Confident	22 Å²	22	49.8 Å²	49.8	23%	0.227	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-9.9	179.2	0	0	0	0	0	116.1	L175 V193	L175-G177 PolarHBondContact O-N 3.17Å; G177-V193 WeakPolarHBondContact CA-O 3.39Å; G177-V193 PolarHBondContact N-O 2.86Å
178	S	75.7	Confident	74.2	Confident	22 Å²	22	44.8 Å²	44.8	15%	0.154	30%	0.295	C	S	.	.			trans	-66.3	154.5	175.8	70.6	0	0	0	0	112.2	L175 R192 V193	L175-S178 PolarHBondContact O-N 3.12Å; L175-S178 PolarHBondContact O-OG 2.73Å; S178-R192 WeakPolarHBondContact O-CA 3.32Å; S178-V193 PolarHBondContact O-N 2.91Å
179	V	78.5	Confident	73.9	Confident	34 Å²	34	44.3 Å²	44.3	21%	0.206	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126	173.5	-174.2	0	0	0	0	109.5	N121 L191 R192	N121-V179 PolarHBondContact ND2-O 2.97Å; N121-V179 WeakPolarHBondContact OD1-CA 3.27Å; N121-V179 WeakPolarHBondContact OD1-CB 3.45Å; N121-V179 PolarHBondContact OD1-N 2.92Å; N121-V179 PolarHBondContact OD1-O 2.95Å; V179-L191 CarbonylContact C-O 3.56Å; V179-L191 WeakPolarHBondContact CA-O 3.47Å; V179-R192 HydrophobicContact CG2-CB 4.29Å; V179-R192 HydrophobicContact CG2-CG 4.25Å
180	V	79.1	Confident	73.9	Confident	17 Å²	17	47 Å²	47	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.6	179.6	178.1	0	0	0	0	108.1	L169 L182 L191 V193	L169-V180 HydrophobicContact CD1-CG1 4.14Å; L169-V180 HydrophobicContact CD2-CG1 3.72Å; V180-L182 HydrophobicContact CG1-CD1 3.87Å; V180-L182 HydrophobicContact CG1-CG 3.94Å; V180-L191 PolarHBondContact N-O 3.25Å; V180-L191 PolarHBondContact O-N 3.03Å; V180-V193 HydrophobicContact CG2-CG2 4.19Å
181	S	72.6	Confident	74.2	Confident	38 Å²	38	45 Å²	45	27%	0.266	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.8	179.5	61.5	0	0	0	0	111.2	Q66 C117 C189	Q66-S181 VanDerWaalsContact CD-O 3.29Å; Q66-S181 PolarHBondContact NE2-O 3.25Å; Q66-S181 PolarHBondContact OE1-O 3.35Å; C117-S181 WeakPolarHBondContact CB-OG 3.47Å; S181-C189 CarbonylContact C-O 3.57Å; S181-C189 WeakPolarHBondContact CA-O 3.45Å
182	L	74.4	Confident	74.8	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158	-176.5	-68.1	161.1	0	0	0	110.5	L165 T168 L169 V180 A188 C189	L165-L182 HydrophobicContact CD1-CD1 3.75Å; L165-L182 HydrophobicContact CG-CD1 3.92Å; T168-L182 HydrophobicContact CG2-CD2 3.47Å; T168-L182 VanDerWaalsContact CG2-CD2 3.47Å; L169-L182 HydrophobicContact CD2-CD2 4.47Å; V180-L182 HydrophobicContact CG1-CD1 3.87Å; V180-L182 HydrophobicContact CG1-CG 3.94Å; L182-A188 CarbonylContact O-C 3.55Å; L182-A188 WeakPolarHBondContact O-CA 3.48Å; L182-C189 PolarHBondContact N-O 3.43Å; L182-C189 PolarHBondContact O-N 3.16Å
183	S	71.1	Confident	75.1	Confident	78 Å²	78	47 Å²	47	55%	0.545	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.1	169.7	53.6	0	0	0	0	110.8	F164 R187	F164-S183 VanDerWaalsContact CZ-O 3.24Å; F164-S183 WeakPolarHBondContact CZ-O 3.42Å; S183-R187 WeakPolarHBondContact CA-O 3.37Å
184	Y	73.6	Confident	75	Confident	14 Å²	14	47.5 Å²	47.5	6%	0.055	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.4	-177.6	-176.5	-114	0	0	0	109.2	L156 F161 F164 G186 R187	L156-Y184 HydrophobicContact CD1-CD1 3.92Å; L156-Y184 HydrophobicContact CD1-CE1 3.85Å; L156-Y184 HydrophobicContact CD2-CE1 3.84Å; L156-Y184 HydrophobicContact CG-CE1 4.27Å; F161-Y184 HydrophobicContact CB-CE1 4.27Å; F161-Y184 AromaticContact CD2-CD1 3.5Å; F161-Y184 HydrophobicContact CD2-CD1 3.5Å; F161-Y184 HydrophobicContact CD2-CD2 4.04Å; F161-Y184 AromaticContact CD2-CE1 3.65Å; F161-Y184 HydrophobicContact CD2-CE1 3.65Å; F161-Y184 HydrophobicContact CD2-CE2 4.2Å; F161-Y184 AromaticContact CD2-CG 3.68Å; F161-Y184 HydrophobicContact CD2-CG 3.68Å; F161-Y184 AromaticContact CE2-CD1 3.99Å; F161-Y184 HydrophobicContact CE2-CD1 3.99Å; F161-Y184 HydrophobicContact CE2-CD2 4.37Å; F161-Y184 AromaticContact CE2-CG 3.85Å; F161-Y184 HydrophobicContact CE2-CG 3.85Å; F161-Y184 HydrophobicContact CG-CE1 4.44Å; F164-Y184 HydrophobicContact CB-CD2 4.11Å; F164-Y184 HydrophobicContact CB-CE2 3.78Å; F164-Y184 AromaticContact CD1-CD2 3.43Å; F164-Y184 HydrophobicContact CD1-CD2 3.43Å; F164-Y184 VanDerWaalsContact CD1-CD2 3.43Å; F164-Y184 HydrophobicContact CD1-CE2 4.02Å; F164-Y184 HydrophobicContact CD1-CG 4.22Å; F164-Y184 AromaticContact CD2-CD2 3.93Å; F164-Y184 HydrophobicContact CD2-CD2 3.93Å; F164-Y184 HydrophobicContact CD2-CE2 4.15Å; F164-Y184 AromaticContact CE1-CD2 3.76Å; F164-Y184 HydrophobicContact CE1-CD2 3.76Å; F164-Y184 HydrophobicContact CE1-CG 4.34Å; F164-Y184 HydrophobicContact CE2-CD2 4.22Å; F164-Y184 AromaticContact CG-CD2 3.53Å; F164-Y184 HydrophobicContact CG-CD2 3.53Å; F164-Y184 AromaticContact CG-CE2 3.71Å; F164-Y184 HydrophobicContact CG-CE2 3.71Å; F164-Y184 HydrophobicContact CZ-CD2 4.14Å; Y184-G186 PolarHBondContact O-N 3.13Å; Y184-G186 VanDerWaalsContact O-N 3.07Å; Y184-R187 PolarHBondContact N-O 2.88Å; Y184-R187 PolarHBondContact O-N 2.87Å
185	F	68.3	Low	74.8	Confident	165 Å²	165	48.9 Å²	48.9	72%	0.724	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	38.4	-171.1	-71.3	-75.6	0	0	0	114.5	L156 R187	L156-F185 HydrophobicContact CD2-CD2 4.39Å; F185-R187 VanDerWaalsContact C-N 3.26Å; F185-R187 PolarHBondContact O-N 3.41Å
186	G	62	Low	75	Confident	81 Å²	81	48.1 Å²	48.1	84%	0.835	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-7	-179.6	0	0	0	0	0	115.7	Y184	Y184-G186 PolarHBondContact O-N 3.13Å; Y184-G186 VanDerWaalsContact O-N 3.07Å
187	R	69.9	Low	75.2	Confident	124 Å²	124	50.6 Å²	50.6	47%	0.468	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134	170.4	-63.4	-176.9	176.3	-165.3	-3.6	110.1	D153 D154 S183 Y184 F185	D153-R187 PolarHBondContact O-NH1 3.01Å; D154-R187 IonicContact OD2-CZ 3.05Å; D154-R187 IonicContact OD2-NH1 2.74Å; D154-R187 PolarHBondContact OD2-NH1 3.29Å; D154-R187 IonicContact OD2-NH2 2.89Å; D154-R187 PolarHBondContact OD2-NH2 3.38Å; S183-R187 WeakPolarHBondContact CA-O 3.37Å; Y184-R187 PolarHBondContact N-O 2.88Å; Y184-R187 PolarHBondContact O-N 2.87Å; F185-R187 VanDerWaalsContact C-N 3.26Å; F185-R187 PolarHBondContact O-N 3.41Å
188	A	66.8	Low	75.7	Confident	92 Å²	92	49.6 Å²	49.6	76%	0.76	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.9	173.4	0	0	0	0	0	110.4	L182	L182-A188 CarbonylContact O-C 3.55Å; L182-A188 WeakPolarHBondContact O-CA 3.48Å
189	C	71.7	Confident	75.8	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.1	-177.7	-58.6	0	0	0	0	109.7	S181 L182	S181-C189 CarbonylContact C-O 3.57Å; S181-C189 WeakPolarHBondContact CA-O 3.45Å; L182-C189 PolarHBondContact N-O 3.43Å; L182-C189 PolarHBondContact O-N 3.16Å
190	S	75	Confident	75.4	Confident	64 Å²	64	57.6 Å²	57.6	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105.4	178.7	-66.2	0	0	0	0	110.5	N149	N149-S190 PolarHBondContact ND2-O 2.84Å
191	L	81.8	Confident	74.6	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.4	-171.8	-55	176.9	0	0	0	110.1	L147 W150 F161 L165 V179 V180 F321	L147-L191 HydrophobicContact CD1-CB 4.48Å; L147-L191 HydrophobicContact CD1-CD1 4.15Å; W150-L191 HydrophobicContact CE3-CD1 4.4Å; W150-L191 HydrophobicContact CE3-CD2 3.65Å; W150-L191 HydrophobicContact CZ3-CD1 4.32Å; W150-L191 HydrophobicContact CZ3-CD2 4.12Å; F161-L191 HydrophobicContact CE1-CD1 4.08Å; F161-L191 HydrophobicContact CZ-CD1 4.1Å; L165-L191 HydrophobicContact CD1-CD1 3.43Å; L165-L191 VanDerWaalsContact CD1-CD1 3.43Å; V179-L191 CarbonylContact C-O 3.56Å; V179-L191 WeakPolarHBondContact CA-O 3.47Å; V180-L191 PolarHBondContact N-O 3.25Å; V180-L191 PolarHBondContact O-N 3.03Å; L191-F321 HydrophobicContact CD1-CE1 4.21Å
192	R	82.3	Confident	74.7	Confident	112 Å²	112	60.7 Å²	60.7	42%	0.423	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.8	-177.4	-178.1	-179.6	-72.1	156.9	-4	111.5	S148 S178 V179 E194	S148-R192 PolarHBondContact N-O 3.28Å; S148-R192 PolarHBondContact O-N 3.42Å; S148-R192 PolarHBondContact OG-O 3.37Å; S178-R192 WeakPolarHBondContact O-CA 3.32Å; V179-R192 HydrophobicContact CG2-CB 4.29Å; V179-R192 HydrophobicContact CG2-CG 4.25Å; R192-E194 PolarHBondContact O-N 2.89Å
193	V	82.4	Confident	74.5	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.6	-179.1	-175.5	0	0	0	0	109.9	L145 L147 I174 G177 S178 V180 I196	L145-V193 HydrophobicContact CD1-CG1 3.92Å; L147-V193 HydrophobicContact CD2-CB 4.23Å; L147-V193 HydrophobicContact CD2-CG2 3.69Å; I174-V193 HydrophobicContact CG2-CB 4.27Å; I174-V193 HydrophobicContact CG2-CG1 4.01Å; I174-V193 HydrophobicContact CG2-CG2 3.52Å; G177-V193 WeakPolarHBondContact CA-O 3.39Å; G177-V193 PolarHBondContact N-O 2.86Å; S178-V193 PolarHBondContact O-N 2.91Å; V180-V193 HydrophobicContact CG2-CG2 4.19Å; V193-I196 HydrophobicContact CG1-CD1 3.96Å; V193-I196 HydrophobicContact CG1-CG1 3.7Å
194	E	79.2	Confident	74.6	Confident	37 Å²	37	61.4 Å²	61.4	17%	0.173	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-49.9	179.8	-61.5	-145.2	110.1	0	0	112.8	V146 S148 R192 R206 S322 K324	V146-E194 PolarHBondContact O-N 3.33Å; S148-E194 VanDerWaalsContact CB-CD 3.49Å; S148-E194 VanDerWaalsContact OG-CG 3.31Å; S148-E194 WeakPolarHBondContact OG-CG 3.34Å; R192-E194 PolarHBondContact O-N 2.89Å; E194-R206 PolarHBondContact O-N 2.79Å; E194-S322 WeakPolarHBondContact OE2-CB 3.48Å; E194-S322 PolarHBondContact OE2-OG 2.91Å; E194-K324 WeakPolarHBondContact OE1-CE 3.43Å; E194-K324 IonicContact OE1-NZ 2.88Å; E194-K324 PolarHBondContact OE1-NZ 3.49Å
195	T	79.4	Confident	74.3	Confident	37 Å²	37	67.1 Å²	67.1	23%	0.227	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.8	179.7	69	0	0	0	0	110.6	V146 V204 Q205	V146-T195 VanDerWaalsContact CB-OG1 3.28Å; V146-T195 WeakPolarHBondContact CB-OG1 3.46Å; V146-T195 WeakPolarHBondContact CG2-OG1 3.33Å; V146-T195 PolarHBondContact N-O 3.32Å; T195-V204 WeakPolarHBondContact CA-O 3.34Å; T195-Q205 HydrophobicContact CG2-CB 4.09Å; T195-Q205 HydrophobicContact CG2-CG 3.63Å
196	I	82.3	Confident	74	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.3	177.7	-54.7	178.6	0	0	0	107.1	I142 L145 I174 V193 T203 V204 Y311	I142-I196 HydrophobicContact CB-CG2 4.45Å; I142-I196 HydrophobicContact CD1-CG2 3.74Å; I142-I196 HydrophobicContact CG1-CG2 3.65Å; I142-I196 HydrophobicContact CG2-CG2 3.96Å; L145-I196 HydrophobicContact CD1-CG1 4.02Å; I174-I196 HydrophobicContact CG2-CD1 4.13Å; I174-I196 WeakPolarHBondContact O-CD1 3.39Å; V193-I196 HydrophobicContact CG1-CD1 3.96Å; V193-I196 HydrophobicContact CG1-CG1 3.7Å; I196-T203 CarbonylContact O-C 3.58Å; I196-T203 WeakPolarHBondContact O-CA 3.36Å; I196-V204 PolarHBondContact N-O 3.22Å; I196-V204 PolarHBondContact O-N 2.84Å; I196-Y311 HydrophobicContact CG2-CD1 4.09Å; I196-Y311 HydrophobicContact CG2-CD2 4.48Å; I196-Y311 HydrophobicContact CG2-CG 3.88Å
197	R	81	Confident	73.1	Confident	90 Å²	90	65.5 Å²	65.5	34%	0.34	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.2	174.3	178.9	174.3	160.4	173.7	-5.9	109.4	I142 E143 E144 T203	I142-R197 CarbonylContact C-O 3.56Å; I142-R197 WeakPolarHBondContact CA-O 3.34Å; I142-R197 WeakPolarHBondContact CG2-O 3.28Å; E143-R197 VanDerWaalsContact CD-NH2 3.31Å; E143-R197 PolarHBondContact N-O 2.74Å; E143-R197 IonicContact OE1-CZ 3.71Å; E143-R197 IonicContact OE1-NE 3.96Å; E143-R197 IonicContact OE1-NH2 2.9Å; E143-R197 PolarHBondContact OE1-NH2 3.05Å; E143-R197 IonicContact OE2-CZ 3.13Å; E143-R197 IonicContact OE2-NE 2.7Å; E143-R197 PolarHBondContact OE2-NE 3.11Å; E143-R197 IonicContact OE2-NH2 2.64Å; E143-R197 PolarHBondContact OE2-NH2 2.85Å; E144-R197 HydrophobicContact CB-CB 4.08Å; E144-R197 PolarHBondContact N-O 2.69Å; E144-R197 PolarHBondContact O-N 2.98Å; R197-T203 HydrophobicContact CB-CG2 4.01Å; R197-T203 HydrophobicContact CG-CG2 3.87Å
198	G	82.7	Confident	71.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	162.4	176.3	0	0	0	0	0	113.1	Q141 D200 G201 V202	Q141-G198 VanDerWaalsContact O-CA 3.31Å; Q141-G198 WeakPolarHBondContact O-CA 3.44Å; G198-D200 PolarHBondContact O-N 2.86Å; G198-G201 PolarHBondContact O-N 3.31Å; G198-V202 PolarHBondContact N-O 2.91Å
199	E	78	Confident	69.6	Low	118 Å²	118	69.5 Å²	69.5	55%	0.551	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.8	170.9	-69.6	-178.7	156.3	0	0	112.9	Q141 G201	Q141-E199 HydrophobicContact CB-CG 4.14Å; Q141-E199 PolarHBondContact O-N 2.98Å; E199-G201 PolarHBondContact O-N 3.22Å
200	D	70.6	Confident	67.5	Low	106 Å²	106	74 Å²	74	57%	0.567	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	1.5	174.3	-60.5	-14.3	0	0	0	113.9	V140 G198 V202	V140-D200 VanDerWaalsContact CG2-OD2 3.29Å; V140-D200 WeakPolarHBondContact CG2-OD2 3.46Å; G198-D200 PolarHBondContact O-N 2.86Å; D200-V202 HydrophobicContact CB-CG2 4.4Å; D200-V202 PolarHBondContact O-N 3.42Å
201	G	62.5	Low	65.4	Low	51 Å²	51	78.3 Å²	78.3	53%	0.526	41%	0.411	S	S	.	.	S	Bend	trans	76.4	-4.2	-177.4	0	0	0	0	0	114.8	G198 E199	G198-G201 PolarHBondContact O-N 3.31Å; E199-G201 PolarHBondContact O-N 3.22Å
202	V	73.6	Confident	63	Low	70 Å²	70	82.3 Å²	82.3	42%	0.424	45%	0.452	S	S	.	.			trans	-76.5	128.4	178.1	-178	0	0	0	0	110.3	G198 D200 V204	G198-V202 PolarHBondContact N-O 2.91Å; D200-V202 HydrophobicContact CB-CG2 4.4Å; D200-V202 PolarHBondContact O-N 3.42Å; V202-V204 HydrophobicContact CG1-CG2 4.23Å
203	T	71.4	Confident	60.2	Low	83 Å²	83	81.4 Å²	81.4	51%	0.509	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.7	171.9	56.2	0	0	0	0	110.2	I196 R197	I196-T203 CarbonylContact O-C 3.58Å; I196-T203 WeakPolarHBondContact O-CA 3.36Å; R197-T203 HydrophobicContact CB-CG2 4.01Å; R197-T203 HydrophobicContact CG-CG2 3.87Å
204	V	73.2	Confident	57.4	Low	15 Å²	15	86.8 Å²	86.8	9%	0.091	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.1	174.3	-172.4	0	0	0	0	108.6	P176 T195 I196 V202 Y311	P176-V204 HydrophobicContact CB-CG1 4.41Å; P176-V204 HydrophobicContact CG-CG1 3.86Å; T195-V204 WeakPolarHBondContact CA-O 3.34Å; I196-V204 PolarHBondContact N-O 3.22Å; I196-V204 PolarHBondContact O-N 2.84Å; V202-V204 HydrophobicContact CG1-CG2 4.23Å; V204-Y311 HydrophobicContact CB-CE2 4.49Å; V204-Y311 HydrophobicContact CG2-CE2 3.6Å; V204-Y311 WeakPolarHBondContact CG2-OH 3.4Å
205	Q	67.2	Low	54.9	Low	133 Å²	133	91.2 Å²	91.2	62%	0.621	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	150.9	176	-53.7	-161.9	-5.2	0	0	110.6	T195 A207	T195-Q205 HydrophobicContact CG2-CB 4.09Å; T195-Q205 HydrophobicContact CG2-CG 3.63Å; Q205-A207 PolarHBondContact O-N 3.17Å
206	R	60.2	Low	52.2	Low	132 Å²	132	97.5 Å²	97.5	50%	0.498	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-58.2	131.3	172.8	179.9	-178.4	173.5	-177.7	0.5	111.2	E194 R208	E194-R206 PolarHBondContact O-N 2.79Å; R206-R208 PolarHBondContact O-N 3.3Å
207	A	45.1	Very low	49.7	Very low	81 Å²	81	104 Å²	104	67%	0.669	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-57	121.8	170.1	0	0	0	0	0	111.2	Q205	Q205-A207 PolarHBondContact O-N 3.17Å
208	R	33.4	Very low	47	Very low	205 Å²	205	107.3 Å²	107.3	77%	0.774	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-75.1	131.4	176.5	-169.1	177.7	-175.2	162.7	0.9	108.9	R206	R206-R208 PolarHBondContact O-N 3.3Å
209	P	29.5	Very low	44.1	Very low	95 Å²	95	115.2 Å²	115.2	62%	0.617	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-61.2	144.3	170.5	26.6	-33.2	0	0	0	109.6
210	P	27	Very low	41.6	Very low	121 Å²	121	116.2 Å²	116.2	79%	0.786	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-60.6	142.8	-177.4	24.2	-33.3	0	0	0	111.4	G212	P210-G212 PolarHBondContact O-N 2.93Å
211	L	30.7	Very low	39.4	Very low	155 Å²	155	115.2 Å²	115.2	81%	0.812	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	118.9	176.9	-76.3	86.9	0	0	0	109.5
212	G	31.2	Very low	37.9	Very low	85 Å²	85	118.2 Å²	118.2	88%	0.876	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.2	-1.5	175.9	0	0	0	0	0	117.7	P210	P210-G212 PolarHBondContact O-N 2.93Å
213	A	23.4	Very low	35.5	Very low	94 Å²	94	122.6 Å²	122.6	78%	0.777	70%	0.698	S	S	*	*			trans	-108.3	137.7	174.5	0	0	0	0	0	111.6
214	T	24.1	Very low	33.3	Very low	114 Å²	114	125.3 Å²	125.3	70%	0.699	71%	0.709	S	S	*	*			trans	-64.3	156.7	175.2	38	0	0	0	0	112.1	E216	T214-E216 PolarHBondContact O-N 3.04Å
215	P	26.2	Very low	30.9	Very low	129 Å²	129	129.8 Å²	129.8	84%	0.838	74%	0.74	S	S	*	*			trans	-70.1	96.1	173.8	30.2	-33.3	0	0	0	109.4
216	E	22.9	Very low	29.3	Very low	169 Å²	169	129.2 Å²	129.2	79%	0.79	75%	0.746	S	S	*	*			trans	-67.5	139.2	167	-69.7	-171	171.7	0	0	109.8	T214 E218	T214-E216 PolarHBondContact O-N 3.04Å; E216-E218 VanDerWaalsContact C-N 3.31Å; E216-E218 PolarHBondContact O-N 3.03Å
217	T	30.6	Very low	27.8	Very low	137 Å²	137	128.3 Å²	128.3	84%	0.84	76%	0.76	S	S	*	*			trans	-71.4	78.8	-172.2	-42.8	0	0	0	0	111.1	E219	T217-E219 PolarHBondContact O-N 3.09Å
218	E	23.6	Very low	27.2	Very low	161 Å²	161	127.8 Å²	127.8	75%	0.752	76%	0.755	S	S	*	*			trans	-69.8	114.2	168.9	-76.5	-167.7	165.6	0	0	109.7	E216 T220	E216-E218 VanDerWaalsContact C-N 3.31Å; E216-E218 PolarHBondContact O-N 3.03Å; E218-T220 PolarHBondContact O-N 3.08Å
219	E	22.6	Very low	27.2	Very low	166 Å²	166	123.4 Å²	123.4	78%	0.776	75%	0.747	S	S	*	*			trans	-57.8	116.5	-177.3	-60.5	179	150.1	0	0	111.7	T217 S221	T217-E219 PolarHBondContact O-N 3.09Å; E219-S221 PolarHBondContact O-N 3.36Å
220	T	23.9	Very low	27.3	Very low	139 Å²	139	125.2 Å²	125.2	85%	0.853	75%	0.751	S	S	*	*			trans	-69.1	72.3	158	51.3	0	0	0	0	109.1	E218 V222	E218-T220 PolarHBondContact O-N 3.08Å; T220-V222 PolarHBondContact O-N 2.96Å; T220-V222 VanDerWaalsContact O-N 3.12Å
221	S	25.1	Very low	27.6	Very low	84 Å²	84	123.8 Å²	123.8	59%	0.587	74%	0.744	S	S	*	*			trans	-67.7	108.9	176.7	46.2	0	0	0	0	109.4	E219 M223	E219-S221 PolarHBondContact O-N 3.36Å; S221-M223 PolarHBondContact O-N 2.78Å
222	V	30.8	Very low	27.9	Very low	114 Å²	114	122.4 Å²	122.4	69%	0.691	74%	0.737	S	S	*	*			trans	-66.3	97.3	175.1	-176.7	0	0	0	0	108.6	T220	T220-V222 PolarHBondContact O-N 2.96Å; T220-V222 VanDerWaalsContact O-N 3.12Å
223	M	24.5	Very low	28	Very low	163 Å²	163	125.5 Å²	125.5	80%	0.803	73%	0.728	S	S	*	*			trans	-109	78.3	164.1	-74.2	-161.6	176.4	0	0	110	S221 C225	S221-M223 PolarHBondContact O-N 2.78Å; M223-C225 PolarHBondContact O-N 3.34Å
224	N	24.1	Very low	28.6	Very low	140 Å²	140	127.7 Å²	127.7	75%	0.749	73%	0.726	S	S	*	*			trans	-63.5	99.9	165.7	-71.5	-20.3	0	0	0	109.3	T226	N224-T226 PolarHBondContact O-N 2.88Å
225	C	23.3	Very low	29	Very low	108 Å²	108	126.3 Å²	126.3	73%	0.73	72%	0.721	S	S	*	*			trans	-72.1	84.3	164.4	-75.8	0	0	0	0	110	M223 S227	M223-C225 PolarHBondContact O-N 3.34Å; C225-S227 PolarHBondContact O-N 3.13Å
226	T	32.9	Very low	29.2	Very low	121 Å²	121	127 Å²	127	74%	0.742	72%	0.715	S	S	*	*			trans	35.1	82.2	145.9	56.2	0	0	0	0	116.6	N224	N224-T226 PolarHBondContact O-N 2.88Å
227	S	29.9	Very low	29.4	Very low	113 Å²	113	126 Å²	126	79%	0.79	72%	0.715	S	S	*	*			trans	-118.8	11.5	162.9	65.8	0	0	0	0	113.1	C225	C225-S227 PolarHBondContact O-N 3.13Å
228	A	31.6	Very low	29.1	Very low	70 Å²	70	125.3 Å²	125.3	58%	0.579	71%	0.71	S	S	*	*			trans	-93.2	-12	-170.8	0	0	0	0	0	115.3
229	D	33.6	Very low	29.5	Very low	114 Å²	114	124.1 Å²	124.1	61%	0.61	71%	0.713	S	S	*	*	S	Bend	trans	-87	-11.5	-171.2	-77.7	-40.1	0	0	0	115.5
230	L	32.1	Very low	29.7	Very low	132 Å²	132	123.3 Å²	123.3	69%	0.691	71%	0.714	S	S	*	*	S	Bend	trans	-88.2	-21.7	178.8	-67.9	174.9	0	0	0	113.4
231	S	33.2	Very low	29.8	Very low	92 Å²	92	124.3 Å²	124.3	64%	0.643	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-24.3	179.2	-54.3	0	0	0	0	113.2
232	L	37.2	Very low	29.7	Very low	126 Å²	126	127.3 Å²	127.3	66%	0.66	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-10.5	-179.2	-71.4	169.4	0	0	0	114	S235	L232-S235 PolarHBondContact O-OG 3.38Å
233	Q	32.4	Very low	29.5	Very low	149 Å²	149	130.2 Å²	130.2	70%	0.696	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-13.9	177.2	-66.3	-169.1	-12.5	0	0	113.5
234	L	35.5	Very low	29.5	Very low	140 Å²	140	126.6 Å²	126.6	73%	0.733	73%	0.728	S	S	*	*	S	Bend	trans	-89	-11.9	176.3	-74.4	166.2	0	0	0	113.6	M236	L234-M236 VanDerWaalsContact C-N 3.3Å; L234-M236 PolarHBondContact O-N 3.14Å
235	S	33.1	Very low	30.1	Very low	85 Å²	85	126 Å²	126	59%	0.594	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	14.6	179.3	56.4	0	0	0	0	114.6	L232	L232-S235 PolarHBondContact O-OG 3.38Å
236	M	30.2	Very low	30.1	Very low	145 Å²	145	124.7 Å²	124.7	71%	0.714	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	16.7	-176.5	-79.2	-95.2	63.3	0	0	114.4	L234	L234-M236 VanDerWaalsContact C-N 3.3Å; L234-M236 PolarHBondContact O-N 3.14Å
237	L	26.8	Very low	29.6	Very low	148 Å²	148	125.7 Å²	125.7	78%	0.775	74%	0.742	S	S	*	*			trans	-101.7	99	168.1	-75.9	171.8	0	0	0	110.5
238	T	25.9	Very low	29.3	Very low	121 Å²	121	125.4 Å²	125.4	74%	0.742	75%	0.747	S	S	*	*			trans	-71.4	132.2	166.4	48.5	0	0	0	0	110.2
239	V	31	Very low	28.9	Very low	136 Å²	136	125.9 Å²	125.9	82%	0.824	76%	0.759	S	S	*	*			trans	-131.6	117.5	164.5	-179.9	0	0	0	0	107
240	D	27.4	Very low	28.4	Very low	149 Å²	149	129.6 Å²	129.6	80%	0.797	77%	0.772	S	S	*	*			trans	-73.2	153.8	175.2	-66.2	-74.7	0	0	0	111.8
241	D	25.4	Very low	28.2	Very low	160 Å²	160	129 Å²	129	86%	0.856	78%	0.777	S	S	*	*			trans	-57.5	146.9	171.5	-86.2	-73.8	0	0	0	113
242	D	24	Very low	27.6	Very low	147 Å²	147	127.7 Å²	127.7	79%	0.786	78%	0.778	S	S	*	*				-165.1	152.4	114.7	-129	-33.6	0	0	0	116.1
243	M	25.9	Very low	27.7	Very low	176 Å²	176	127.8 Å²	127.8	87%	0.867	79%	0.786	S	S	*	*			trans	17.3	135.8	162	-88.1	-170.2	164.8	0	0	124.9
244	A	23.7	Very low	27.2	Very low	86 Å²	86	125.5 Å²	125.5	71%	0.711	79%	0.792	S	S	*	*			trans	-92.1	-173.9	154.8	0	0	0	0	0	111.1
245	P	36.4	Very low	26.7	Very low	129 Å²	129	123.5 Å²	123.5	84%	0.838	80%	0.796	S	S	*	*			cis	-132.7	176.1	-6.3	41.2	-24.3	0	0	0	115.2
246	G	23.3	Very low	26.3	Very low	79 Å²	79	124.9 Å²	124.9	81%	0.814	81%	0.806	S	S	*	*			trans	-173.3	147.4	171.3	0	0	0	0	0	115.2
247	T	23.6	Very low	26	Very low	142 Å²	142	124.2 Å²	124.2	87%	0.871	81%	0.81	S	S	*	*			trans	-109.3	151.7	-163.5	42.9	0	0	0	0	117.1
248	A	23.8	Very low	26.1	Very low	108 Å²	108	122.3 Å²	122.3	89%	0.893	81%	0.806	S	S	*	*			trans	69.2	136.3	146.1	0	0	0	0	0	121.4
249	G	22.7	Very low	26	Very low	79 Å²	79	123.9 Å²	123.9	81%	0.814	81%	0.809	S	S	*	*			trans	161.2	105	165.7	0	0	0	0	0	115.6
250	E	23	Very low	25.6	Very low	192 Å²	192	128.2 Å²	128.2	90%	0.897	81%	0.811	S	S	*	*			trans	-63.4	167.2	156	-95.2	-173.8	162.9	0	0	111.2
251	P	28.4	Very low	25.3	Very low	121 Å²	121	126 Å²	126	79%	0.786	81%	0.813	S	S	*	*			cis	-153.7	-174	42.5	42.6	-19.8	0	0	0	118.5
252	G	20.8	Very low	25.3	Very low	64 Å²	64	122.6 Å²	122.6	66%	0.66	81%	0.807	S	S	*	*			trans	-90	-151.7	153.8	0	0	0	0	0	112
253	P	37.4	Very low	26.1	Very low	128 Å²	128	121 Å²	121	83%	0.831	81%	0.805	S	S	*	*			cis	-139.1	178.3	-3.5	43	-25	0	0	0	116.4
254	A	23.8	Very low	25.9	Very low	100 Å²	100	120 Å²	120	83%	0.826	80%	0.802	S	S	*	*			trans	26.7	130.2	146.2	0	0	0	0	0	124.6
255	A	24.2	Very low	25.9	Very low	99 Å²	99	120.9 Å²	120.9	82%	0.818	80%	0.803	S	S	*	*			trans	177.7	156.7	139.7	0	0	0	0	0	109.9
256	S	24.8	Very low	25.2	Very low	114 Å²	114	119.5 Å²	119.5	80%	0.797	80%	0.797	S	S	*	*			cis	-169	152.5	-32.5	49.6	0	0	0	0	109.1
257	T	24.1	Very low	25.2	Very low	131 Å²	131	123.3 Å²	123.3	80%	0.804	80%	0.798	S	S	*	*			trans	-67.8	168.7	-176.9	-21	0	0	0	0	114.4
258	P	28.7	Very low	25.2	Very low	108 Å²	108	122.5 Å²	122.5	70%	0.701	80%	0.798	S	S	*	*				-150.1	144.6	103.5	36.1	-18.4	0	0	0	118.4
259	L	24.3	Very low	25.2	Very low	154 Å²	154	122.7 Å²	122.7	81%	0.806	79%	0.793	S	S	*	*			trans	50.1	159.1	133.5	-55.6	169.7	0	0	0	122.8
260	R	22.3	Very low	25.7	Very low	227 Å²	227	125 Å²	125	86%	0.857	79%	0.793	S	S	*	*			cis	173.4	136.9	-38.4	174.1	177.4	-175.7	176.6	2.8	107.9
261	A	21.1	Very low	25.7	Very low	101 Å²	101	120.2 Å²	120.2	84%	0.835	79%	0.787	S	S	*	*			trans	-156.8	137.7	159.2	0	0	0	0	0	113
262	A	24.9	Very low	25.6	Very low	89 Å²	89	118.8 Å²	118.8	74%	0.736	79%	0.785	S	S	*	*			trans	-177.9	178	174.5	0	0	0	0	0	108.2
263	P	41.7	Very low	26.1	Very low	115 Å²	115	121 Å²	121	75%	0.747	79%	0.787	S	S	*	*			cis	-134.1	-168	-17.6	40.7	-22.5	0	0	0	113.6
264	L	21.6	Very low	25.4	Very low	154 Å²	154	122.7 Å²	122.7	81%	0.806	79%	0.789	S	S	*	*			trans	163.2	109.8	138.3	-86.5	164.5	0	0	0	109.1
265	S	22.5	Very low	25.3	Very low	104 Å²	104	124 Å²	124	73%	0.727	79%	0.787	S	S	*	*				68.5	136.4	92.5	80.3	0	0	0	0	115.2
266	S	22.5	Very low	25.5	Very low	101 Å²	101	125.6 Å²	125.6	71%	0.706	79%	0.788	S	S	*	*			cis	-167.4	172.5	13.7	62.1	0	0	0	0	114.3
267	L	22.9	Very low	25.3	Very low	159 Å²	159	125.3 Å²	125.3	83%	0.832	79%	0.787	S	S	*	*			trans	92	131.8	149.4	-74.9	164.3	0	0	0	124.2
268	S	23.4	Very low	25.3	Very low	125 Å²	125	124.2 Å²	124.2	87%	0.874	78%	0.784	S	S	*	*			trans	97	127.4	154.4	73.6	0	0	0	0	121.3
269	S	23.3	Very low	24.9	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	79%	0.79	S	S	*	*			trans	-131.1	-179.4	168.9	58.3	0	0	0	0	106.6
270	P	33.9	Very low	24.7	Very low	127 Å²	127	124 Å²	124	83%	0.825	79%	0.793	S	S	*	*			cis	-120	-148.3	8.7	32.1	-6.5	0	0	0	110.8
271	A	23.1	Very low	24.6	Very low	92 Å²	92	122.1 Å²	122.1	76%	0.76	79%	0.794	S	S	*	*			cis	-159.7	174.2	9.2	0	0	0	0	0	113.7
272	A	25.8	Very low	25.1	Very low	90 Å²	90	122.8 Å²	122.8	74%	0.744	79%	0.79	S	S	*	*			trans	-123.5	165.3	152.3	0	0	0	0	0	107.1
273	P	31.5	Very low	24.9	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	79%	0.789	S	S	*	*				-162.2	170.7	72.5	43.8	-22.3	0	0	0	119.8
274	L	22.6	Very low	23.9	Very low	164 Å²	164	123.9 Å²	123.9	86%	0.859	79%	0.789	S	S	*	*			trans	65.4	142.4	140.9	-72.1	160.6	0	0	0	123.9
275	T	23.3	Very low	23.9	Very low	127 Å²	127	122.8 Å²	122.8	78%	0.779	78%	0.784	S	S	*	*			trans	-88.7	165.8	159.3	48.3	0	0	0	0	111.5
276	P	27.1	Very low	23.8	Very low	132 Å²	132	122.4 Å²	122.4	86%	0.857	78%	0.781	S	S	*	*				-146.3	179.7	119.3	36.8	-20.3	0	0	0	115.2
277	S	21.6	Very low	23.7	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	79%	0.787	S	S	*	*			trans	-106.4	158.7	-170.7	49.7	0	0	0	0	114.9
278	S	22.8	Very low	23.7	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	78%	0.782	S	S	*	*				160.6	130.9	122.5	51.8	0	0	0	0	116.7
279	T	19.8	Very low	23.6	Very low	135 Å²	135	124.6 Å²	124.6	83%	0.828	77%	0.774	S	S	*	*			trans	26.1	131	147.3	48.5	0	0	0	0	124.8
280	S	21.6	Very low	23.7	Very low	122 Å²	122	124.4 Å²	124.4	85%	0.853	77%	0.772	S	S	*	*				-175.3	153.2	109.9	53.5	0	0	0	0	114.4
281	E	20.5	Very low	23.1	Very low	187 Å²	187	127.9 Å²	127.9	87%	0.874	78%	0.777	S	S	*	*			trans	-83.8	-167.8	-179.2	-61.4	-168.5	142.7	0	0	113.1
282	P	30.3	Very low	23.1	Very low	116 Å²	116	131.5 Å²	131.5	75%	0.753	78%	0.779	S	S	*	*			cis	-149.8	-172.8	11.5	45.4	-23.2	0	0	0	120.8
283	A	21	Very low	23	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	79%	0.785	S	S	*	*			trans	75.8	145.7	162.1	0	0	0	0	0	118.2
284	D	21.3	Very low	22.5	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	79%	0.792	S	S	*	*			cis	-156.3	156.9	15.5	-137.6	-11.9	0	0	0	114.6
285	N	21.8	Very low	22.6	Very low	131 Å²	131	137.3 Å²	137.3	70%	0.701	79%	0.794	S	S	*	*			trans	54.9	113.6	153.7	-80.5	-41.3	0	0	0	126.6
286	S	20.5	Very low	22.7	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	79%	0.79	S	S	*	*				79.5	129.2	116.9	77.8	0	0	0	0	125
287	F	20.4	Very low	22.6	Very low	191 Å²	191	135.1 Å²	135.1	84%	0.838	79%	0.789	S	S	*	*			trans	84.5	134.1	138.1	-94.6	-121.9	0	0	0	123.3
288	I	22	Very low	23.1	Very low	141 Å²	141	136.9 Å²	136.9	72%	0.723	80%	0.795	S	S	*	*			trans	84.6	113.9	151.8	-63.5	165.9	0	0	0	120.7
289	S	21	Very low	23.3	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	79%	0.789	S	S	*	*			trans	20.3	133.3	136.8	-42	0	0	0	0	123.2
290	S	25.4	Very low	24.1	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	78%	0.784	S	S	*	*			trans	29	114.4	136.8	64.3	0	0	0	0	120.1
291	E	21.2	Very low	25.1	Very low	200 Å²	200	133.2 Å²	133.2	94%	0.935	77%	0.774	S	S	*	*			trans	-158.4	168.3	139.2	-116.4	154.7	-153.2	0	0	111.9
292	Q	23.1	Very low	26	Very low	169 Å²	169	125.4 Å²	125.4	79%	0.79	74%	0.744	S	S	*	*			trans	-75.5	152.5	-171.7	-60.6	168.3	-45.6	0	0	111.8	E294	Q292-E294 PolarHBondContact O-N 3.41Å
293	P	24.2	Very low	26.9	Very low	135 Å²	135	120.3 Å²	120.3	88%	0.877	71%	0.713	S	S	*	*			trans	-72.1	114.1	163.3	-4.7	21.5	0	0	0	109.2
294	E	20.8	Very low	28.4	Very low	185 Å²	185	122.5 Å²	122.5	86%	0.864	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-67.3	169.9	178.4	-61.9	-175.3	110.7	0	0	113.5	Q292 A296	Q292-E294 PolarHBondContact O-N 3.41Å; E294-A296 PolarHBondContact O-N 3.2Å
295	N	25.9	Very low	30.3	Very low	167 Å²	167	118.3 Å²	118.3	89%	0.893	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.7	-178.4	-64.7	-66	0	0	0	113.5
296	A	24.2	Very low	32.1	Very low	85 Å²	85	113.9 Å²	113.9	70%	0.702	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-77.9	146.6	158.9	0	0	0	0	0	110.6	E294	E294-A296 PolarHBondContact O-N 3.2Å
297	P	26	Very low	34.3	Very low	128 Å²	128	112.5 Å²	112.5	83%	0.831	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-74.3	133.5	-163.6	28.4	-35.5	0	0	0	113.7	A299	P297-A299 PolarHBondContact O-N 3.24Å
298	T	30.7	Very low	36.9	Very low	146 Å²	146	105.3 Å²	105.3	90%	0.896	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-79.6	116.7	171	-43.3	0	0	0	0	110.2
299	A	27.4	Very low	39.5	Very low	77 Å²	77	101 Å²	101	64%	0.636	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-103.8	166.5	173.6	0	0	0	0	0	110.5	P297	P297-A299 PolarHBondContact O-N 3.24Å
300	P	36.8	Very low	42.4	Very low	111 Å²	111	96.2 Å²	96.2	72%	0.721	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-75.6	161.1	-143.8	29.6	-37	0	0	0	115.7	G302	P300-G302 PolarHBondContact O-N 3.34Å
301	P	42.1	Very low	45.2	Very low	99 Å²	99	91.8 Å²	91.8	64%	0.643	54%	0.542	S	S	*	.			trans	-66.9	98.5	173.9	29	-35.4	0	0	0	111	F304	P301-F304 HydrophobicContact CB-CD2 4.32Å; P301-F304 HydrophobicContact CB-CE2 3.92Å
302	G	39.1	Very low	48.1	Very low	24 Å²	24	83.2 Å²	83.2	25%	0.247	50%	0.504	C	S	.	.			trans	-80.4	141.7	176.6	0	0	0	0	0	113.2	P300	P300-G302 PolarHBondContact O-N 3.34Å
303	G	50.4	Low	51	Low	9 Å²	9	75.3 Å²	75.3	9%	0.093	47%	0.467	C	S	.	.	S	Bend	trans	107.8	30.7	171	0	0	0	0	0	114.8	Q96 D308	Q96-G303 PolarHBondContact OE1-O 3.4Å; Q96-G303 VanDerWaalsContact OE1-O 3.07Å; G303-D308 WeakPolarHBondContact CA-OD2 3.34Å; G303-D308 PolarHBondContact N-OD2 3.26Å
304	F	53.1	Low	53.7	Low	134 Å²	134	70.3 Å²	70.3	59%	0.588	43%	0.434	S	S	*	.	S	Bend	trans	-110.4	-19.2	175.2	-71.9	-88.4	0	0	0	113.2	Q96 P301 D308	Q96-F304 PolarHBondContact NE2-O 3.15Å; Q96-F304 PolarHBondContact OE1-O 3.27Å; P301-F304 HydrophobicContact CB-CD2 4.32Å; P301-F304 HydrophobicContact CB-CE2 3.92Å; F304-D308 PolarHBondContact N-OD2 2.92Å
305	S	60.4	Low	56.4	Low	50 Å²	50	65.9 Å²	65.9	35%	0.35	42%	0.424	S	S	.	.	S	Bend	trans	-115.8	153.8	175.3	179.4	0	0	0	0	111.5	S307 D308	S305-S307 WeakPolarHBondContact CB-OG 3.46Å; S305-S307 PolarHBondContact O-N 3.47Å; S305-S307 VanDerWaalsContact O-N 3.11Å; S305-S307 PolarHBondContact OG-N 2.91Å; S305-S307 PolarHBondContact OG-OG 3.44Å; S305-D308 WeakPolarHBondContact CB-OD1 3.21Å; S305-D308 PolarHBondContact N-OD2 3.06Å; S305-D308 WeakPolarHBondContact O-CB 3.45Å; S305-D308 PolarHBondContact O-N 2.66Å; S305-D308 VanDerWaalsContact O-N 3.15Å
306	S	60.2	Low	58.8	Low	37 Å²	37	66.6 Å²	66.6	26%	0.259	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.9	174.6	54.1	0	0	0	0	114	T136 G137	T136-S306 PolarHBondContact N-O 3.08Å; T136-S306 PolarHBondContact OG1-O 3.13Å; G137-S306 PolarHBondContact N-O 2.94Å
307	S	65.3	Low	61.5	Low	68 Å²	68	62.8 Å²	62.8	48%	0.476	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.2	177.7	56.7	0	0	0	0	115.3	G137 S305	G137-S307 WeakPolarHBondContact CA-O 3.32Å; S305-S307 WeakPolarHBondContact CB-OG 3.46Å; S305-S307 PolarHBondContact O-N 3.47Å; S305-S307 VanDerWaalsContact O-N 3.11Å; S305-S307 PolarHBondContact OG-N 2.91Å; S305-S307 PolarHBondContact OG-OG 3.44Å
308	D	75.9	Confident	64	Low	39 Å²	39	62.5 Å²	62.5	21%	0.209	37%	0.373	C	S	.	.	S	Bend	trans	-75.2	167.7	-170.1	-67.5	-9	0	0	0	113	G137 G303 F304 S305 F310	G137-D308 WeakPolarHBondContact CA-O 3.5Å; G303-D308 WeakPolarHBondContact CA-OD2 3.34Å; G303-D308 PolarHBondContact N-OD2 3.26Å; F304-D308 PolarHBondContact N-OD2 2.92Å; S305-D308 WeakPolarHBondContact CB-OD1 3.21Å; S305-D308 PolarHBondContact N-OD2 3.06Å; S305-D308 WeakPolarHBondContact O-CB 3.45Å; S305-D308 PolarHBondContact O-N 2.66Å; S305-D308 VanDerWaalsContact O-N 3.15Å; D308-F310 WeakPolarHBondContact O-CD2 3.41Å; D308-F310 WeakPolarHBondContact O-CE2 3.19Å; D308-F310 PolarHBondContact O-N 2.96Å
309	T	76.9	Confident	66.4	Low	50 Å²	50	56 Å²	56	31%	0.307	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-72	120.5	173.4	-51.8	0	0	0	0	110.8	P138 V140 Y311	P138-T309 HydrophobicContact CG-CG2 4.35Å; V140-T309 HydrophobicContact CB-CG2 4.12Å; V140-T309 HydrophobicContact CG2-CG2 3.47Å; V140-T309 VanDerWaalsContact CG2-CG2 3.47Å; T309-Y311 HydrophobicContact CG2-CE2 4.45Å
310	F	81.1	Confident	68.8	Low	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	151.4	176.4	-68.8	-84.2	0	0	0	111	L88 V98 V135 P138 V139 V140 I173 L175 D308	L88-F310 HydrophobicContact CD1-CE1 4.18Å; L88-F310 HydrophobicContact CD2-CZ 4.46Å; V98-F310 HydrophobicContact CG2-CD1 3.91Å; V98-F310 HydrophobicContact CG2-CE1 3.83Å; V135-F310 HydrophobicContact CB-CE2 4.43Å; V135-F310 HydrophobicContact CG1-CD2 3.43Å; V135-F310 VanDerWaalsContact CG1-CD2 3.43Å; V135-F310 HydrophobicContact CG1-CE2 3.5Å; V135-F310 HydrophobicContact CG1-CG 4.09Å; V135-F310 HydrophobicContact CG1-CZ 4.2Å; V135-F310 HydrophobicContact CG2-CE1 4.41Å; V135-F310 HydrophobicContact CG2-CE2 4.28Å; V135-F310 HydrophobicContact CG2-CZ 4.14Å; P138-F310 PolarHBondContact O-N 3.4Å; V139-F310 CarbonylContact C-O 3.57Å; V139-F310 WeakPolarHBondContact CA-O 3.49Å; V139-F310 HydrophobicContact CG2-CB 4.35Å; V140-F310 PolarHBondContact N-O 3.48Å; I173-F310 HydrophobicContact CD1-CB 4.49Å; I173-F310 HydrophobicContact CG2-CB 3.89Å; I173-F310 HydrophobicContact CG2-CD1 4.03Å; I173-F310 HydrophobicContact CG2-CG 4.37Å; L175-F310 HydrophobicContact CD2-CD1 4.12Å; L175-F310 HydrophobicContact CD2-CE1 4.23Å; D308-F310 WeakPolarHBondContact O-CD2 3.41Å; D308-F310 WeakPolarHBondContact O-CE2 3.19Å; D308-F310 PolarHBondContact O-N 2.96Å
311	Y	84.4	Confident	70.8	Confident	15 Å²	15	53.8 Å²	53.8	6%	0.059	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.9	-174.5	-64.9	-86.8	0	0	0	111.6	V140 I173 I174 I196 V204 T309	V140-Y311 HydrophobicContact CB-CD1 4.34Å; V140-Y311 HydrophobicContact CB-CE1 4.41Å; V140-Y311 HydrophobicContact CG1-CD1 4.44Å; V140-Y311 HydrophobicContact CG1-CE1 4.35Å; V140-Y311 CarbonylContact O-C 3.56Å; V140-Y311 VanDerWaalsContact O-CA 3.32Å; V140-Y311 WeakPolarHBondContact O-CA 3.46Å; I173-Y311 VanDerWaalsContact CA-O 3.32Å; I173-Y311 WeakPolarHBondContact CA-O 3.38Å; I174-Y311 PolarHBondContact N-O 3.11Å; I196-Y311 HydrophobicContact CG2-CD1 4.09Å; I196-Y311 HydrophobicContact CG2-CD2 4.48Å; I196-Y311 HydrophobicContact CG2-CG 3.88Å; V204-Y311 HydrophobicContact CB-CE2 4.49Å; V204-Y311 HydrophobicContact CG2-CE2 3.6Å; V204-Y311 WeakPolarHBondContact CG2-OH 3.4Å; T309-Y311 HydrophobicContact CG2-CE2 4.45Å
312	S	83.1	Confident	71.9	Confident	20 Å²	20	50.4 Å²	50.4	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.5	179.6	60.9	0	0	0	0	112.9	V140 I142 S172	V140-S312 PolarHBondContact O-N 3.37Å; V140-S312 PolarHBondContact O-OG 3.17Å; I142-S312 WeakPolarHBondContact CG1-O 3.39Å; I142-S312 PolarHBondContact N-O 2.8Å; S172-S312 WeakPolarHBondContact O-CA 3.19Å
313	V	83.8	Confident	72.6	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	29%	0.289	C	S	.	.			trans	-79.9	133.1	175	178.7	0	0	0	0	110.1	I142 L145 L169 A170 G171 S172 I174 T317	I142-V313 HydrophobicContact CD1-CG2 3.81Å; L145-V313 HydrophobicContact CD2-CG2 4.27Å; L169-V313 HydrophobicContact CB-CB 4.3Å; L169-V313 HydrophobicContact CB-CG1 4.1Å; L169-V313 HydrophobicContact CB-CG2 4.33Å; A170-V313 WeakPolarHBondContact CA-O 3.46Å; G171-V313 PolarHBondContact N-O 3.4Å; S172-V313 PolarHBondContact O-N 3.02Å; S172-V313 VanDerWaalsContact O-N 3.08Å; I174-V313 HydrophobicContact CD1-CG2 3.49Å; I174-V313 VanDerWaalsContact CD1-CG2 3.49Å; I174-V313 HydrophobicContact CG1-CG2 4.09Å; V313-T317 HydrophobicContact CG1-CG2 4.44Å
314	T	81.1	Confident	72.2	Confident	31 Å²	31	59.6 Å²	59.6	19%	0.19	32%	0.317	C	S	.	.			trans	-121.6	163.7	176.8	-52.6	0	0	0	0	110.2	Q141 F316 T317	Q141-T314 PolarHBondContact OE1-OG1 3.24Å; T314-F316 HydrophobicContact CG2-CD2 3.98Å; T314-F316 PolarHBondContact O-N 3.47Å; T314-T317 PolarHBondContact N-OG1 2.67Å; T314-T317 WeakPolarHBondContact O-CB 3.44Å; T314-T317 PolarHBondContact O-N 3.09Å; T314-T317 PolarHBondContact O-OG1 2.96Å; T314-T317 VanDerWaalsContact O-OG1 3.11Å
315	S	76.3	Confident	71.4	Confident	92 Å²	92	61 Å²	61	64%	0.643	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-15.1	176.1	-52.3	0	0	0	0	115.6
316	F	76.8	Confident	70.3	Confident	181 Å²	181	61.3 Å²	61.3	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-7.2	178.8	-54.9	-70.1	0	0	0	113.6	T314 K318	T314-F316 HydrophobicContact CG2-CD2 3.98Å; T314-F316 PolarHBondContact O-N 3.47Å; F316-K318 PolarHBondContact O-N 3.27Å
317	T	81.2	Confident	68.9	Low	6 Å²	6	68.6 Å²	68.6	4%	0.037	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-63.6	123.2	-176.7	-60.8	0	0	0	0	111.5	I142 L145 V313 T314 V319	I142-T317 HydrophobicContact CB-CG2 3.93Å; I142-T317 HydrophobicContact CG2-CG2 3.63Å; I142-T317 WeakPolarHBondContact O-CA 3.46Å; I142-T317 VanDerWaalsContact O-CB 3.32Å; I142-T317 WeakPolarHBondContact O-CB 3.18Å; I142-T317 WeakPolarHBondContact O-CG2 3.28Å; I142-T317 PolarHBondContact O-OG1 3.45Å; L145-T317 HydrophobicContact CB-CG2 3.92Å; V313-T317 HydrophobicContact CG1-CG2 4.44Å; T314-T317 PolarHBondContact N-OG1 2.67Å; T314-T317 WeakPolarHBondContact O-CB 3.44Å; T314-T317 PolarHBondContact O-N 3.09Å; T314-T317 PolarHBondContact O-OG1 2.96Å; T314-T317 VanDerWaalsContact O-OG1 3.11Å; T317-V319 PolarHBondContact O-N 3.44Å
318	K	77.6	Confident	67.2	Low	122 Å²	122	73.1 Å²	73.1	53%	0.53	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.2	178.6	-173.8	-177.8	169	-148.2	0	110.6	E143 E144 L145 F316	E143-K318 WeakPolarHBondContact O-CB 3.29Å; E143-K318 PolarHBondContact O-N 3.12Å; E144-K318 WeakPolarHBondContact CA-O 3.47Å; E144-K318 WeakPolarHBondContact OE1-CD 3.4Å; E144-K318 WeakPolarHBondContact OE1-CE 3.47Å; E144-K318 IonicContact OE1-NZ 2.77Å; E144-K318 PolarHBondContact OE1-NZ 2.9Å; L145-K318 PolarHBondContact N-O 3.07Å; F316-K318 PolarHBondContact O-N 3.27Å
319	V	81.4	Confident	65.2	Low	10 Å²	10	72.5 Å²	72.5	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.3	179.6	-178	0	0	0	0	110.9	L145 L147 K162 L165 V166 T317 F321	L145-V319 WeakPolarHBondContact O-CA 3.45Å; L147-V319 HydrophobicContact CD1-CG1 3.98Å; L147-V319 HydrophobicContact CG-CG1 4.37Å; K162-V319 HydrophobicContact CG-CB 4.47Å; L165-V319 HydrophobicContact CD2-CG1 4.16Å; L165-V319 HydrophobicContact CD2-CG2 3.85Å; V166-V319 HydrophobicContact CG2-CG2 3.59Å; T317-V319 PolarHBondContact O-N 3.44Å; V319-F321 HydrophobicContact CG1-CE1 4.19Å; V319-F321 HydrophobicContact CG1-CE2 4.37Å; V319-F321 HydrophobicContact CG1-CZ 3.95Å
320	Q	78.2	Confident	63.3	Low	85 Å²	85	77.4 Å²	77.4	40%	0.397	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151	168.5	-58.8	-158.2	15.8	0	0	111	E144 L145 V146 L147	E144-Q320 HydrophobicContact CG-CG 4.38Å; E144-Q320 PolarHBondContact OE1-NE2 2.82Å; L145-Q320 PolarHBondContact O-N 2.89Å; V146-Q320 WeakPolarHBondContact CA-O 3.37Å; V146-Q320 HydrophobicContact CG2-CB 4.36Å; L147-Q320 PolarHBondContact N-O 2.91Å
321	F	79.3	Confident	61.1	Low	56 Å²	56	84 Å²	84	25%	0.246	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.8	175.7	-64	-71.4	0	0	0	111.2	L147 W150 F161 K162 L191 V319 S323	L147-F321 HydrophobicContact CB-CD1 3.96Å; L147-F321 HydrophobicContact CB-CE1 4.12Å; L147-F321 HydrophobicContact CD1-CE1 4.13Å; L147-F321 CarbonylContact O-C 3.6Å; L147-F321 WeakPolarHBondContact O-CA 3.49Å; W150-F321 HydrophobicContact CB-CD1 4.45Å; W150-F321 HydrophobicContact CE3-CD1 4.34Å; W150-F321 HydrophobicContact CE3-CE1 4.08Å; W150-F321 HydrophobicContact CE3-CZ 4.46Å; F161-F321 HydrophobicContact CD1-CE2 4.28Å; F161-F321 AromaticContact CD1-CZ 3.73Å; F161-F321 HydrophobicContact CD1-CZ 3.73Å; F161-F321 HydrophobicContact CE1-CE1 4.22Å; F161-F321 AromaticContact CE1-CZ 3.72Å; F161-F321 HydrophobicContact CE1-CZ 3.72Å; K162-F321 HydrophobicContact CG-CE2 3.87Å; K162-F321 HydrophobicContact CG-CZ 4.5Å; L191-F321 HydrophobicContact CD1-CE1 4.21Å; V319-F321 HydrophobicContact CG1-CE1 4.19Å; V319-F321 HydrophobicContact CG1-CE2 4.37Å; V319-F321 HydrophobicContact CG1-CZ 3.95Å; F321-S323 PolarHBondContact O-N 2.91Å
322	S	63.9	Low	58.8	Low	27 Å²	27	88.3 Å²	88.3	19%	0.189	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	99.7	172.1	53.7	0	0	0	0	110.4	V146 L147 S148 E194	V146-S322 WeakPolarHBondContact CG1-OG 3.45Å; L147-S322 PolarHBondContact O-N 3.44Å; L147-S322 PolarHBondContact O-OG 3.2Å; S148-S322 WeakPolarHBondContact CA-O 3.34Å; S148-S322 WeakPolarHBondContact CB-OG 3.28Å; E194-S322 WeakPolarHBondContact OE2-CB 3.48Å; E194-S322 PolarHBondContact OE2-OG 2.91Å
323	S	55.3	Low	56.6	Low	70 Å²	70	93.6 Å²	93.6	49%	0.49	47%	0.469	S	S	.	.			trans	-72.1	127	161.7	-176.9	0	0	0	0	109	F321 R325	F321-S323 PolarHBondContact O-N 2.91Å; S323-R325 PolarHBondContact O-N 2.94Å
324	K	40.9	Very low	54.6	Low	157 Å²	157	96 Å²	96	68%	0.683	49%	0.489	S	S	*	.	S	Bend	trans	-75.7	33.2	172.9	-77.8	-170.5	173.4	166.7	0	113.9	E194	E194-K324 WeakPolarHBondContact OE1-CE 3.43Å; E194-K324 IonicContact OE1-NZ 2.88Å; E194-K324 PolarHBondContact OE1-NZ 3.49Å
325	R	37.4	Very low	52.5	Low	163 Å²	163	97.8 Å²	97.8	62%	0.615	50%	0.503	S	S	*	.			trans	-126.9	73.3	168.1	-82.9	-169.4	170.5	-173.1	3.7	107.6	S323 D329	S323-R325 PolarHBondContact O-N 2.94Å; R325-D329 WeakPolarHBondContact CA-OD2 3.3Å; R325-D329 HydrophobicContact CB-CB 3.94Å; R325-D329 VanDerWaalsContact CB-OD2 3.26Å; R325-D329 WeakPolarHBondContact CB-OD2 2.9Å; R325-D329 WeakPolarHBondContact CD-OD1 3.47Å; R325-D329 HydrophobicContact CG-CB 4.46Å; R325-D329 VanDerWaalsContact CG-CG 3.46Å; R325-D329 VanDerWaalsContact CG-OD1 3.27Å; R325-D329 WeakPolarHBondContact CG-OD1 3.39Å; R325-D329 WeakPolarHBondContact CG-OD2 3.16Å; R325-D329 IonicContact CZ-OD1 3.87Å; R325-D329 IonicContact NE-OD1 2.95Å; R325-D329 PolarHBondContact NE-OD1 2.82Å
326	G	35.5	Very low	50.8	Low	56 Å²	56	101.5 Å²	101.5	58%	0.577	51%	0.507	S	S	*	.			trans	-141.1	24.4	-160.1	0	0	0	0	0	114.5
327	Q	31.9	Very low	49.6	Very low	190 Å²	190	98.3 Å²	98.3	89%	0.888	51%	0.507	S	S	*	.	S	Bend	trans	-164.1	-7.1	163.2	-115.9	166	13.1	0	0	116
328	K	29	Very low	49.1	Very low	163 Å²	163	103.3 Å²	103.3	71%	0.709	53%	0.529	S	S	*	.	S	Bend	trans	-108	-31.5	165.4	-78.6	-171.4	170.5	-174	0	113.3	L330 N331	K328-L330 PolarHBondContact O-N 2.96Å; K328-N331 PolarHBondContact O-N 3.25Å
329	D	34.2	Very low	49.2	Very low	26 Å²	26	98.5 Å²	98.5	14%	0.139	51%	0.509	C	S	.	.	H	α-helix	trans	-77.2	-17.9	-166.2	-50.3	-103.1	0	0	0	115.4	R325 N331 E332 E333	R325-D329 WeakPolarHBondContact CA-OD2 3.3Å; R325-D329 HydrophobicContact CB-CB 3.94Å; R325-D329 VanDerWaalsContact CB-OD2 3.26Å; R325-D329 WeakPolarHBondContact CB-OD2 2.9Å; R325-D329 WeakPolarHBondContact CD-OD1 3.47Å; R325-D329 HydrophobicContact CG-CB 4.46Å; R325-D329 VanDerWaalsContact CG-CG 3.46Å; R325-D329 VanDerWaalsContact CG-OD1 3.27Å; R325-D329 WeakPolarHBondContact CG-OD1 3.39Å; R325-D329 WeakPolarHBondContact CG-OD2 3.16Å; R325-D329 IonicContact CZ-OD1 3.87Å; R325-D329 IonicContact NE-OD1 2.95Å; R325-D329 PolarHBondContact NE-OD1 2.82Å; D329-N331 PolarHBondContact O-N 3.49Å; D329-E332 PolarHBondContact O-N 2.95Å; D329-E333 PolarHBondContact O-N 3.34Å
330	L	38	Very low	49.5	Very low	153 Å²	153	100.4 Å²	100.4	80%	0.801	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-25.3	175	-74.6	171.4	0	0	0	112.8	K328	K328-L330 PolarHBondContact O-N 2.96Å
331	N	33.8	Very low	49.8	Very low	139 Å²	139	97.2 Å²	97.2	74%	0.743	51%	0.505	S	S	*	.	H	α-helix	trans	-91	-21.6	170.5	-80.9	-14.4	0	0	0	113.1	K328 D329	K328-N331 PolarHBondContact O-N 3.25Å; D329-N331 PolarHBondContact O-N 3.49Å
332	E	36	Very low	50	Low	106 Å²	106	98.7 Å²	98.7	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-93.6	-31.5	-174.9	-66	-174.5	-171.1	0	0	114.1	D329 A334 S335	D329-E332 PolarHBondContact O-N 2.95Å; E332-A334 VanDerWaalsContact C-N 3.26Å; E332-A334 PolarHBondContact O-N 3.47Å; E332-S335 PolarHBondContact O-N 3.42Å; E332-S335 VanDerWaalsContact O-N 3.16Å; E332-S335 PolarHBondContact O-OG 3.07Å
333	E	36.2	Very low	51.1	Low	131 Å²	131	101.4 Å²	101.4	61%	0.612	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.3	169.7	-73.2	-168.5	166.6	0	0	111	D329 S335	D329-E333 PolarHBondContact O-N 3.34Å; E333-S335 VanDerWaalsContact C-N 3.29Å; E333-S335 PolarHBondContact O-N 3.39Å
334	A	42.2	Very low	52.6	Low	51 Å²	51	98.9 Å²	98.9	42%	0.421	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.9	172	0	0	0	0	0	113.8	E332 K338	E332-A334 VanDerWaalsContact C-N 3.26Å; E332-A334 PolarHBondContact O-N 3.47Å; A334-K338 WeakPolarHBondContact O-CE 3.49Å; A334-K338 WeakPolarHBondContact O-CG 3.5Å
335	S	37.8	Very low	54.7	Low	69 Å²	69	91.8 Å²	91.8	48%	0.483	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-19.2	-172.4	76.7	0	0	0	0	114.2	E332 E333 S337	E332-S335 PolarHBondContact O-N 3.42Å; E332-S335 VanDerWaalsContact O-N 3.16Å; E332-S335 PolarHBondContact O-OG 3.07Å; E333-S335 VanDerWaalsContact C-N 3.29Å; E333-S335 PolarHBondContact O-N 3.39Å; S335-S337 PolarHBondContact O-N 3.19Å; S335-S337 VanDerWaalsContact O-N 3.09Å
336	K	40.7	Very low	56.9	Low	171 Å²	171	84.4 Å²	84.4	74%	0.743	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	97.8	179.1	-68.9	-179.7	-179	175.7	0	110.4
337	S	52.3	Low	59.2	Low	113 Å²	113	82.3 Å²	82.3	79%	0.79	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	37.4	176.9	76.7	0	0	0	0	118.5	S335 V339	S335-S337 PolarHBondContact O-N 3.19Å; S335-S337 VanDerWaalsContact O-N 3.09Å; S337-V339 PolarHBondContact O-N 2.79Å
338	K	69.2	Low	61.8	Low	112 Å²	112	77 Å²	77	49%	0.487	42%	0.419	S	S	.	.			trans	-65.6	99	163.9	-63.9	-163.3	-178.8	-171.2	0	111.4	A334 T340	A334-K338 WeakPolarHBondContact O-CE 3.49Å; A334-K338 WeakPolarHBondContact O-CG 3.5Å; K338-T340 PolarHBondContact O-N 3.3Å
339	V	80.9	Confident	64.5	Low	20 Å²	20	72.7 Å²	72.7	12%	0.121	41%	0.41	C	S	.	.			trans	-59.4	124.3	167.7	-175.2	0	0	0	0	108.5	S337 M343 M391 A395 N398	S337-V339 PolarHBondContact O-N 2.79Å; V339-M343 HydrophobicContact CG1-CB 4.48Å; V339-M343 HydrophobicContact CG1-SD 4.3Å; V339-M391 HydrophobicContact CB-CE 4.47Å; V339-M391 HydrophobicContact CG1-CE 3.68Å; V339-M391 HydrophobicContact CG2-CE 3.87Å; V339-M391 HydrophobicContact CG2-SD 4.27Å; V339-A395 HydrophobicContact CG1-CB 4.14Å; V339-A395 WeakPolarHBondContact O-CA 3.45Å; V339-N398 PolarHBondContact N-ND2 2.9Å; V339-N398 VanDerWaalsContact O-CB 3.3Å; V339-N398 WeakPolarHBondContact O-CB 3.47Å; V339-N398 PolarHBondContact O-ND2 3.08Å
340	T	86.1	Confident	67.2	Low	51 Å²	51	73 Å²	73	31%	0.313	41%	0.411	S	S	.	.			trans	-121.2	165.8	179.7	22.2	0	0	0	0	110.1	K338 S342 M343	K338-T340 PolarHBondContact O-N 3.3Å; T340-S342 PolarHBondContact O-N 3.49Å; T340-S342 VanDerWaalsContact O-N 3.12Å; T340-S342 PolarHBondContact OG1-OG 3.03Å; T340-M343 WeakPolarHBondContact O-CB 3.2Å; T340-M343 PolarHBondContact O-N 3.39Å
341	Y	85.1	Confident	69.5	Low	17 Å²	17	66.3 Å²	66.3	7%	0.067	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-57.3	-29	-178	-72.4	-49.8	0	0	0	113.9	M343 I344 L351 A395 I396 E399	Y341-M343 PolarHBondContact O-N 2.91Å; Y341-I344 PolarHBondContact O-N 3.04Å; Y341-I344 VanDerWaalsContact O-N 3.16Å; Y341-L351 HydrophobicContact CD1-CD2 3.65Å; Y341-L351 HydrophobicContact CE1-CD2 3.62Å; Y341-A395 HydrophobicContact CD1-CB 4.14Å; Y341-A395 HydrophobicContact CE1-CB 4.39Å; Y341-I396 HydrophobicContact CE1-CG1 3.96Å; Y341-I396 WeakPolarHBondContact OH-CG1 3.38Å; Y341-E399 HydrophobicContact CD2-CB 3.96Å; Y341-E399 HydrophobicContact CD2-CG 3.63Å; Y341-E399 HydrophobicContact CE2-CB 3.68Å; Y341-E399 HydrophobicContact CE2-CG 3.55Å
342	S	84.8	Confident	72.2	Confident	87 Å²	87	63.2 Å²	63.2	61%	0.608	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-57.9	-28	174.9	53.2	0	0	0	0	114	T340 K524	T340-S342 PolarHBondContact O-N 3.49Å; T340-S342 VanDerWaalsContact O-N 3.12Å; T340-S342 PolarHBondContact OG1-OG 3.03Å; S342-K524 WeakPolarHBondContact O-CE 3.34Å
343	M	85.3	Confident	74.7	Confident	85 Å²	85	59.5 Å²	59.5	42%	0.419	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-83.4	-14.4	-178.9	-162.6	176.5	-173.3	0	0	113.1	V339 T340 Y341 M391	V339-M343 HydrophobicContact CG1-CB 4.48Å; V339-M343 HydrophobicContact CG1-SD 4.3Å; T340-M343 WeakPolarHBondContact O-CB 3.2Å; T340-M343 PolarHBondContact O-N 3.39Å; Y341-M343 PolarHBondContact O-N 2.91Å; M343-M391 HydrophobicContact SD-CE 4.44Å
344	I	88.2	Confident	77.2	Confident	16 Å²	16	53.3 Å²	53.3	8%	0.082	32%	0.318	C	S	.	.			trans	-90	122	-178.2	-62	177	0	0	0	109.6	Y341 L347 L351 I392 A395 K524	Y341-I344 PolarHBondContact O-N 3.04Å; Y341-I344 VanDerWaalsContact O-N 3.16Å; I344-L347 HydrophobicContact CG2-CB 4.43Å; I344-L347 HydrophobicContact CG2-CD1 4.37Å; I344-L351 HydrophobicContact CB-CD1 4.42Å; I344-L351 HydrophobicContact CG2-CD1 4.1Å; I344-I392 HydrophobicContact CD1-CB 4.43Å; I344-I392 HydrophobicContact CD1-CG1 4.17Å; I344-A395 HydrophobicContact CD1-CB 3.45Å; I344-A395 VanDerWaalsContact CD1-CB 3.45Å; I344-A395 HydrophobicContact CG1-CB 4.41Å; I344-K524 WeakPolarHBondContact O-CD 3.23Å; I344-K524 WeakPolarHBondContact O-CE 3.45Å; I344-K524 PolarHBondContact O-NZ 3.49Å
345	G	84	Confident	79.4	Confident	9 Å²	9	55.5 Å²	55.5	9%	0.093	32%	0.315	C	S	.	.			trans	-97.5	153	177.4	0	0	0	0	0	113.9	L347 D520	G345-L347 PolarHBondContact O-N 3.27Å; G345-D520 WeakPolarHBondContact CA-OD2 3.45Å
346	G	83.5	Confident	81.7	Confident	7 Å²	7	59.1 Å²	59.1	7%	0.072	32%	0.324	C	S	.	.	S	Bend	trans	77.8	-43.8	168.9	0	0	0	0	0	115.9	S348 D520	G346-S348 PolarHBondContact O-N 3.25Å; G346-D520 PolarHBondContact N-OD2 3.45Å
347	L	84.3	Confident	83.9	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.068	29%	0.293	C	S	.	.			trans	-79.5	44.3	-164.7	-61	173.2	0	0	0	115.1	I344 G345 Q350 L351 I392 V510	I344-L347 HydrophobicContact CG2-CB 4.43Å; I344-L347 HydrophobicContact CG2-CD1 4.37Å; G345-L347 PolarHBondContact O-N 3.27Å; L347-Q350 VanDerWaalsContact CA-OE1 3.25Å; L347-Q350 PolarHBondContact O-OE1 3.23Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.39Å; L347-L351 WeakPolarHBondContact O-CG 3.42Å; L347-L351 PolarHBondContact O-N 3.02Å; L347-I392 HydrophobicContact CD1-CD1 3.51Å; L347-I392 HydrophobicContact CD1-CG1 4.15Å; L347-V510 HydrophobicContact CD1-CG1 3.76Å; L347-V510 HydrophobicContact CD2-CG1 3.88Å
348	S	85.6	Confident	85.6	Confident	77 Å²	77	46.3 Å²	46.3	54%	0.538	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-53.2	-175.7	53.6	0	0	0	0	113.1	G346 Q350 L351 D352	G346-S348 PolarHBondContact O-N 3.25Å; S348-Q350 PolarHBondContact O-N 2.84Å; S348-L351 PolarHBondContact O-N 3.34Å; S348-D352 PolarHBondContact O-N 3.46Å
349	S	87.4	Confident	86.4	Confident	73 Å²	73	43.2 Å²	43.2	51%	0.51	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-37.6	-178.3	60	0	0	0	0	113.1	A353	S349-A353 PolarHBondContact O-N 3.07Å
350	Q	89.3	Confident	86.6	Confident	33 Å²	33	45.6 Å²	45.6	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-38.3	174.6	-59.2	84.2	-1.6	0	0	111.3	L347 S348 A353 I354 E509	L347-Q350 VanDerWaalsContact CA-OE1 3.25Å; L347-Q350 PolarHBondContact O-OE1 3.23Å; S348-Q350 PolarHBondContact O-N 2.84Å; Q350-A353 PolarHBondContact O-N 3.05Å; Q350-I354 WeakPolarHBondContact O-CB 3.42Å; Q350-I354 WeakPolarHBondContact O-CD1 3.5Å; Q350-I354 WeakPolarHBondContact O-CG1 3.3Å; Q350-I354 PolarHBondContact O-N 2.8Å; Q350-E509 PolarHBondContact NE2-O 3.32Å
351	L	87.8	Confident	86.5	Confident	13 Å²	13	43.6 Å²	43.6	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-39.2	175.9	-77.2	172.8	0	0	0	112	Y341 I344 L347 S348 I354 R355 I392	Y341-L351 HydrophobicContact CD1-CD2 3.65Å; Y341-L351 HydrophobicContact CE1-CD2 3.62Å; I344-L351 HydrophobicContact CB-CD1 4.42Å; I344-L351 HydrophobicContact CG2-CD1 4.1Å; L347-L351 VanDerWaalsContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CB 3.39Å; L347-L351 WeakPolarHBondContact O-CG 3.42Å; L347-L351 PolarHBondContact O-N 3.02Å; S348-L351 PolarHBondContact O-N 3.34Å; L351-I354 WeakPolarHBondContact O-CB 3.42Å; L351-I354 PolarHBondContact O-N 3.32Å; L351-R355 VanDerWaalsContact O-CG 3.26Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-N 3.32Å; L351-I392 HydrophobicContact CD2-CG2 4.48Å
352	D	89.2	Confident	86.4	Confident	74 Å²	74	44.2 Å²	44.2	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-67.2	-42.7	176.8	-68.7	-29.8	0	0	0	111.8	S348 I354 R355 E356	S348-D352 PolarHBondContact O-N 3.46Å; D352-I354 VanDerWaalsContact C-N 3.26Å; D352-I354 PolarHBondContact O-N 2.92Å; D352-R355 WeakPolarHBondContact O-CB 3.2Å; D352-R355 PolarHBondContact O-N 3.3Å; D352-R355 VanDerWaalsContact O-N 3.14Å; D352-R355 IonicContact OD1-CZ 3.4Å; D352-R355 IonicContact OD1-NH1 2.66Å; D352-R355 PolarHBondContact OD1-NH1 3.11Å; D352-E356 PolarHBondContact O-N 3.31Å
353	A	89	Confident	86.3	Confident	28 Å²	28	45.3 Å²	45.3	23%	0.231	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-35.2	171.4	0	0	0	0	0	112.8	S349 Q350 T357 L508	S349-A353 PolarHBondContact O-N 3.07Å; Q350-A353 PolarHBondContact O-N 3.05Å; A353-T357 VanDerWaalsContact O-CB 3.28Å; A353-T357 WeakPolarHBondContact O-CB 3.49Å; A353-T357 PolarHBondContact O-N 3.04Å; A353-T357 PolarHBondContact O-OG1 3.33Å; A353-L508 HydrophobicContact CB-CD2 4.02Å
354	I	89.3	Confident	86.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-41.7	174.1	-79.5	166.1	0	0	0	111.5	Q350 L351 D352 T357 I358 L381 I392 I396 L508	Q350-I354 WeakPolarHBondContact O-CB 3.42Å; Q350-I354 WeakPolarHBondContact O-CD1 3.5Å; Q350-I354 WeakPolarHBondContact O-CG1 3.3Å; Q350-I354 PolarHBondContact O-N 2.8Å; L351-I354 WeakPolarHBondContact O-CB 3.42Å; L351-I354 PolarHBondContact O-N 3.32Å; D352-I354 VanDerWaalsContact C-N 3.26Å; D352-I354 PolarHBondContact O-N 2.92Å; I354-T357 PolarHBondContact O-N 3.15Å; I354-I358 HydrophobicContact CG2-CD1 4.24Å; I354-I358 VanDerWaalsContact O-CB 3.29Å; I354-I358 WeakPolarHBondContact O-CB 3.39Å; I354-I358 PolarHBondContact O-N 2.68Å; I354-L381 HydrophobicContact CD1-CD2 4.31Å; I354-I392 HydrophobicContact CD1-CG2 3.58Å; I354-I396 HydrophobicContact CD1-CD1 4.34Å; I354-I396 HydrophobicContact CG2-CD1 3.51Å; I354-I396 HydrophobicContact CG2-CG1 3.68Å; I354-L508 HydrophobicContact CD1-CD1 4.09Å; I354-L508 HydrophobicContact CG1-CD1 3.49Å; I354-L508 VanDerWaalsContact CG1-CD1 3.49Å
355	R	88.2	Confident	85.8	Confident	97 Å²	97	49.3 Å²	49.3	37%	0.366	26%	0.255	S	S	.	.	I	π-helix	trans	-61.6	-48.4	176.1	-71.2	165.1	170.9	160	-4.4	110.9	L351 D352 T357 E359 L360	L351-R355 VanDerWaalsContact O-CG 3.26Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-N 3.32Å; D352-R355 WeakPolarHBondContact O-CB 3.2Å; D352-R355 PolarHBondContact O-N 3.3Å; D352-R355 VanDerWaalsContact O-N 3.14Å; D352-R355 IonicContact OD1-CZ 3.4Å; D352-R355 IonicContact OD1-NH1 2.66Å; D352-R355 PolarHBondContact OD1-NH1 3.11Å; R355-T357 VanDerWaalsContact C-N 3.32Å; R355-T357 PolarHBondContact O-N 3.14Å; R355-E359 HydrophobicContact CB-CB 4.47Å; R355-E359 WeakPolarHBondContact CG-OE2 3.42Å; R355-E359 WeakPolarHBondContact O-CA 3.48Å; R355-E359 VanDerWaalsContact O-CB 3.28Å; R355-E359 WeakPolarHBondContact O-CB 3.28Å; R355-E359 PolarHBondContact O-N 2.99Å; R355-L360 PolarHBondContact O-N 3.39Å; R355-L360 VanDerWaalsContact O-N 3.11Å
356	E	86.3	Confident	85.8	Confident	144 Å²	144	56.6 Å²	56.6	67%	0.673	29%	0.286	S	S	*	.	I	π-helix	trans	-60.3	-40.7	176.1	-69.4	-179.4	174.5	0	0	112.5	D352 L360	D352-E356 PolarHBondContact O-N 3.31Å; E356-L360 WeakPolarHBondContact O-CB 3.45Å
357	T	85.9	Confident	85.8	Confident	14 Å²	14	59.8 Å²	59.8	9%	0.086	30%	0.301	C	S	.	.	I	π-helix	trans	-82.5	-33.4	-174.4	-52.2	0	0	0	0	113.5	A353 I354 R355 P361 P376 V379 K506	A353-T357 VanDerWaalsContact O-CB 3.28Å; A353-T357 WeakPolarHBondContact O-CB 3.49Å; A353-T357 PolarHBondContact O-N 3.04Å; A353-T357 PolarHBondContact O-OG1 3.33Å; I354-T357 PolarHBondContact O-N 3.15Å; R355-T357 VanDerWaalsContact C-N 3.32Å; R355-T357 PolarHBondContact O-N 3.14Å; T357-P361 WeakPolarHBondContact O-CD 3.43Å; T357-P361 VanDerWaalsContact O-CG 3.3Å; T357-P361 WeakPolarHBondContact O-CG 3.48Å; T357-P376 HydrophobicContact CG2-CB 4.17Å; T357-P376 HydrophobicContact CG2-CG 3.93Å; T357-P376 VanDerWaalsContact O-CG 3.23Å; T357-P376 WeakPolarHBondContact O-CG 3.48Å; T357-V379 HydrophobicContact CG2-CG2 3.51Å; T357-K506 HydrophobicContact CG2-CB 4.31Å; T357-K506 HydrophobicContact CG2-CG 3.94Å
358	I	87.4	Confident	85.6	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	31%	0.305	C	S	.	.	I	π-helix	trans	-117.4	-44.3	-167.7	-54.4	-175.4	0	0	0	112.3	I354 L362 V379 I396 L400 L483 L485	I354-I358 HydrophobicContact CG2-CD1 4.24Å; I354-I358 VanDerWaalsContact O-CB 3.29Å; I354-I358 WeakPolarHBondContact O-CB 3.39Å; I354-I358 PolarHBondContact O-N 2.68Å; I358-L362 HydrophobicContact CG2-CD1 3.91Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 WeakPolarHBondContact O-CG 3.29Å; I358-L362 PolarHBondContact O-N 3.47Å; I358-V379 HydrophobicContact CD1-CB 4.46Å; I358-V379 HydrophobicContact CD1-CG2 4.07Å; I358-V379 HydrophobicContact CG1-CG2 4.1Å; I358-I396 HydrophobicContact CD1-CD1 4.23Å; I358-I396 HydrophobicContact CG2-CG2 3.79Å; I358-L400 HydrophobicContact CG2-CD1 3.91Å; I358-L483 HydrophobicContact CB-CD2 4.01Å; I358-L483 HydrophobicContact CD1-CD2 3.66Å; I358-L483 HydrophobicContact CG1-CD2 3.56Å; I358-L483 HydrophobicContact CG2-CD2 3.5Å; I358-L485 HydrophobicContact CD1-CD1 4.37Å; I358-L485 HydrophobicContact CD1-CD2 3.82Å; I358-L485 HydrophobicContact CD1-CG 4.32Å
359	E	86.6	Confident	85.4	Confident	47 Å²	47	61.7 Å²	61.7	22%	0.22	31%	0.312	C	S	.	.	I	π-helix	trans	-72.6	-37.8	-179.5	173.2	177.1	172	0	0	111.4	R355 K363 L400	R355-E359 HydrophobicContact CB-CB 4.47Å; R355-E359 WeakPolarHBondContact CG-OE2 3.42Å; R355-E359 WeakPolarHBondContact O-CA 3.48Å; R355-E359 VanDerWaalsContact O-CB 3.28Å; R355-E359 WeakPolarHBondContact O-CB 3.28Å; R355-E359 PolarHBondContact O-N 2.99Å; E359-K363 HydrophobicContact CG-CD 3.6Å; E359-K363 HydrophobicContact CG-CG 4.05Å; E359-K363 VanDerWaalsContact O-CB 3.29Å; E359-K363 WeakPolarHBondContact O-CB 3.26Å; E359-K363 WeakPolarHBondContact O-CG 3.46Å; E359-K363 PolarHBondContact O-N 2.95Å; E359-K363 WeakPolarHBondContact OE1-CE 3.4Å; E359-K363 IonicContact OE1-NZ 2.82Å; E359-K363 PolarHBondContact OE1-NZ 2.89Å; E359-L400 HydrophobicContact CB-CD2 3.97Å; E359-L400 HydrophobicContact CG-CD2 3.84Å
360	L	84.8	Confident	85.3	Confident	69 Å²	69	62.3 Å²	62.3	36%	0.361	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-48.2	-179	-169.9	68.5	0	0	0	113.4	R355 E356 R364 F368	R355-L360 PolarHBondContact O-N 3.39Å; R355-L360 VanDerWaalsContact O-N 3.11Å; E356-L360 WeakPolarHBondContact O-CB 3.45Å; L360-R364 PolarHBondContact O-N 2.81Å; L360-R364 VanDerWaalsContact O-N 3.08Å; L360-F368 HydrophobicContact CD2-CE2 4.42Å; L360-F368 HydrophobicContact CD2-CZ 4.14Å; L360-F368 HydrophobicContact CG-CE2 4.03Å; L360-F368 HydrophobicContact CG-CZ 4.15Å
361	P	84.1	Confident	85	Confident	10 Å²	10	69 Å²	69	7%	0.065	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175.7	-19.7	31.7	0	0	0	113.3	T357 P365 F368 P375 P376	T357-P361 WeakPolarHBondContact O-CD 3.43Å; T357-P361 VanDerWaalsContact O-CG 3.3Å; T357-P361 WeakPolarHBondContact O-CG 3.48Å; P361-P365 WeakPolarHBondContact O-CD 3.26Å; P361-F368 VanDerWaalsContact CA-CE2 3.42Å; P361-F368 HydrophobicContact CB-CD2 4.37Å; P361-F368 HydrophobicContact CB-CE2 3.99Å; P361-F368 HydrophobicContact CB-CZ 4.12Å; P361-F368 HydrophobicContact CG-CE1 4.18Å; P361-F368 HydrophobicContact CG-CE2 3.98Å; P361-F368 HydrophobicContact CG-CZ 3.65Å; P361-P375 HydrophobicContact CB-CB 4.28Å; P361-P376 HydrophobicContact CG-CG 4.07Å
362	L	82.6	Confident	84.6	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-74.2	-32.6	-175.5	-69.1	173.4	0	0	0	113	I358 L400 P436 I438 Q481	I358-L362 HydrophobicContact CG2-CD1 3.91Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 WeakPolarHBondContact O-CG 3.29Å; I358-L362 PolarHBondContact O-N 3.47Å; L362-L400 HydrophobicContact CD1-CD1 3.7Å; L362-P436 HydrophobicContact CD2-CB 4.22Å; L362-I438 HydrophobicContact CD1-CD1 4.21Å; L362-I438 HydrophobicContact CD1-CG1 4.35Å; L362-Q481 HydrophobicContact CD2-CB 4.44Å
363	K	83.6	Confident	84.3	Confident	111 Å²	111	72.3 Å²	72.3	48%	0.483	37%	0.373	S	S	.	.	H	α-helix	trans	-82.8	-26.1	175	-69.9	-169.9	178	174.7	0	113.9	E359 L400	E359-K363 HydrophobicContact CG-CD 3.6Å; E359-K363 HydrophobicContact CG-CG 4.05Å; E359-K363 VanDerWaalsContact O-CB 3.29Å; E359-K363 WeakPolarHBondContact O-CB 3.26Å; E359-K363 WeakPolarHBondContact O-CG 3.46Å; E359-K363 PolarHBondContact O-N 2.95Å; E359-K363 WeakPolarHBondContact OE1-CE 3.4Å; E359-K363 IonicContact OE1-NZ 2.82Å; E359-K363 PolarHBondContact OE1-NZ 2.89Å; K363-L400 HydrophobicContact CG-CD2 4.29Å
364	R	83.8	Confident	83.8	Confident	147 Å²	147	76.1 Å²	76.1	56%	0.555	40%	0.396	S	S	*	.			trans	-140.8	61.5	-173.7	-59.6	-168.7	-175.6	108.4	-1.3	113.4	L360 E366 L367	L360-R364 PolarHBondContact O-N 2.81Å; L360-R364 VanDerWaalsContact O-N 3.08Å; R364-E366 VanDerWaalsContact C-N 3.26Å; R364-E366 PolarHBondContact O-N 3.11Å; R364-L367 HydrophobicContact CB-CD1 3.82Å; R364-L367 HydrophobicContact CB-CG 4.06Å; R364-L367 HydrophobicContact CG-CD1 4.35Å; R364-L367 PolarHBondContact O-N 2.83Å
365	P	80.1	Confident	83.4	Confident	37 Å²	37	78.1 Å²	78.1	24%	0.24	41%	0.408	C	S	.	.	H	α-helix	trans	-62	-31.5	-178.5	25.7	-34.9	0	0	0	113.1	P361 L367 F368 S369	P361-P365 WeakPolarHBondContact O-CD 3.26Å; P365-L367 PolarHBondContact O-N 3.32Å; P365-F368 PolarHBondContact O-N 2.85Å; P365-F368 VanDerWaalsContact O-N 3.14Å; P365-S369 PolarHBondContact O-N 2.9Å; P365-S369 VanDerWaalsContact O-N 3.15Å; P365-S369 PolarHBondContact O-OG 2.96Å
366	E	82.3	Confident	83.1	Confident	162 Å²	162	74.9 Å²	74.9	76%	0.757	40%	0.4	S	S	*	.	H	α-helix	trans	-57.4	-34.6	177.5	-63.6	-179.7	-179.6	0	0	113.1	R364 S369 S370	R364-E366 VanDerWaalsContact C-N 3.26Å; R364-E366 PolarHBondContact O-N 3.11Å; E366-S369 PolarHBondContact O-N 3.17Å; E366-S370 WeakPolarHBondContact O-CB 3.31Å; E366-S370 PolarHBondContact O-N 3.33Å; E366-S370 PolarHBondContact O-OG 3.33Å
367	L	83.6	Confident	83	Confident	74 Å²	74	71 Å²	71	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-63.4	-47.6	177.7	-66.1	-179	0	0	0	110.5	R364 P365 S369 S370 Y371	R364-L367 HydrophobicContact CB-CD1 3.82Å; R364-L367 HydrophobicContact CB-CG 4.06Å; R364-L367 HydrophobicContact CG-CD1 4.35Å; R364-L367 PolarHBondContact O-N 2.83Å; P365-L367 PolarHBondContact O-N 3.32Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.7Å; L367-S370 PolarHBondContact O-N 3.44Å; L367-S370 VanDerWaalsContact O-N 3.13Å; L367-S370 PolarHBondContact O-OG 3.06Å; L367-Y371 HydrophobicContact CB-CD2 4.5Å; L367-Y371 HydrophobicContact CD2-CE2 4.45Å; L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 PolarHBondContact O-N 3.45Å
368	F	81.5	Confident	83.2	Confident	33 Å²	33	70.4 Å²	70.4	15%	0.145	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-42.6	178.5	-71.3	-95.3	0	0	0	111.6	L360 P361 P365 G372 I373 P375	L360-F368 HydrophobicContact CD2-CE2 4.42Å; L360-F368 HydrophobicContact CD2-CZ 4.14Å; L360-F368 HydrophobicContact CG-CE2 4.03Å; L360-F368 HydrophobicContact CG-CZ 4.15Å; P361-F368 VanDerWaalsContact CA-CE2 3.42Å; P361-F368 HydrophobicContact CB-CD2 4.37Å; P361-F368 HydrophobicContact CB-CE2 3.99Å; P361-F368 HydrophobicContact CB-CZ 4.12Å; P361-F368 HydrophobicContact CG-CE1 4.18Å; P361-F368 HydrophobicContact CG-CE2 3.98Å; P361-F368 HydrophobicContact CG-CZ 3.65Å; P365-F368 PolarHBondContact O-N 2.85Å; P365-F368 VanDerWaalsContact O-N 3.14Å; F368-G372 PolarHBondContact O-N 3.11Å; F368-I373 HydrophobicContact CD1-CB 4.27Å; F368-I373 HydrophobicContact CD1-CG2 4.11Å; F368-I373 HydrophobicContact CE1-CG2 4.39Å; F368-I373 PolarHBondContact O-N 3.46Å; F368-I373 VanDerWaalsContact O-N 3.07Å; F368-P375 HydrophobicContact CD1-CB 4.41Å
369	S	80.6	Confident	83.4	Confident	97 Å²	97	70.3 Å²	70.3	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-61.5	-43.4	173.3	-54.6	0	0	0	0	112.6	P365 E366 L367 G372	P365-S369 PolarHBondContact O-N 2.9Å; P365-S369 VanDerWaalsContact O-N 3.15Å; P365-S369 PolarHBondContact O-OG 2.96Å; E366-S369 PolarHBondContact O-N 3.17Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.7Å; S369-G372 PolarHBondContact O-N 3.34Å
370	S	84.7	Confident	83.7	Confident	87 Å²	87	68 Å²	68	61%	0.608	36%	0.364	S	S	*	.	H	α-helix	trans	-69.8	-34.4	-178.4	71.4	0	0	0	0	113.9	E366 L367	E366-S370 WeakPolarHBondContact O-CB 3.31Å; E366-S370 PolarHBondContact O-N 3.33Å; E366-S370 PolarHBondContact O-OG 3.33Å; L367-S370 PolarHBondContact O-N 3.44Å; L367-S370 VanDerWaalsContact O-N 3.13Å; L367-S370 PolarHBondContact O-OG 3.06Å
371	Y	84.1	Confident	84.1	Confident	174 Å²	174	64.8 Å²	64.8	68%	0.682	35%	0.347	S	S	*	.	H	α-helix	trans	-87.8	-5.6	176.8	-70.7	-68.9	0	0	0	113.5	L367 I373	L367-Y371 HydrophobicContact CB-CD2 4.5Å; L367-Y371 HydrophobicContact CD2-CE2 4.45Å; L367-Y371 WeakPolarHBondContact O-CD2 3.39Å; L367-Y371 PolarHBondContact O-N 3.45Å; Y371-I373 HydrophobicContact CG-CD1 4.45Å; Y371-I373 PolarHBondContact O-N 3.32Å
372	G	79.1	Confident	84.5	Confident	64 Å²	64	66.6 Å²	66.6	66%	0.66	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	20.3	-175.6	0	0	0	0	0	114	F368 S369	F368-G372 PolarHBondContact O-N 3.11Å; S369-G372 PolarHBondContact O-N 3.34Å
373	I	82.4	Confident	84.8	Confident	92 Å²	92	65.7 Å²	65.7	47%	0.472	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-88.1	120	-178.4	-61	171.2	0	0	0	107.9	F368 Y371	F368-I373 HydrophobicContact CD1-CB 4.27Å; F368-I373 HydrophobicContact CD1-CG2 4.11Å; F368-I373 HydrophobicContact CE1-CG2 4.39Å; F368-I373 PolarHBondContact O-N 3.46Å; F368-I373 VanDerWaalsContact O-N 3.07Å; Y371-I373 HydrophobicContact CG-CD1 4.45Å; Y371-I373 PolarHBondContact O-N 3.32Å
374	P	78.3	Confident	84.7	Confident	108 Å²	108	61.8 Å²	61.8	70%	0.701	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-64.6	131	176	26.9	-33.2	0	0	0	109.8
375	P	81.2	Confident	84.8	Confident	42 Å²	42	57 Å²	57	27%	0.273	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.2	147	175.3	27.2	-32.5	0	0	0	110.3	P361 F368 R377	P361-P375 HydrophobicContact CB-CB 4.28Å; F368-P375 HydrophobicContact CD1-CB 4.41Å; P375-R377 PolarHBondContact O-N 3.27Å
376	P	83.1	Confident	85	Confident	30 Å²	30	56.9 Å²	56.9	20%	0.195	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-64	134.8	178.2	27.2	-33.5	0	0	0	110.3	T357 P361 L483 D505	T357-P376 HydrophobicContact CG2-CB 4.17Å; T357-P376 HydrophobicContact CG2-CG 3.93Å; T357-P376 VanDerWaalsContact O-CG 3.23Å; T357-P376 WeakPolarHBondContact O-CG 3.48Å; P361-P376 HydrophobicContact CG-CG 4.07Å; P376-L483 VanDerWaalsContact O-CD1 3.23Å; P376-L483 WeakPolarHBondContact O-CD1 3.34Å; P376-D505 WeakPolarHBondContact CA-OD2 3.38Å; P376-D505 HydrophobicContact CB-CB 4.38Å
377	R	84	Confident	85.2	Confident	63 Å²	63	49.9 Å²	49.9	24%	0.238	30%	0.298	C	S	.	.			trans	-86.6	-26.4	-176.4	-72.2	173.2	173.6	-133.2	11.6	113	P375 M470 D471 G474 V484 G502 R503 D505	P375-R377 PolarHBondContact O-N 3.27Å; R377-M470 PolarHBondContact NH1-O 2.93Å; R377-D471 VanDerWaalsContact NH1-C 3.27Å; R377-D471 PolarHBondContact NH1-O 3.15Å; R377-G474 VanDerWaalsContact NH2-CA 3.34Å; R377-V484 PolarHBondContact O-N 2.97Å; R377-V484 VanDerWaalsContact O-N 3.08Å; R377-G502 WeakPolarHBondContact CD-O 3.36Å; R377-R503 CarbonylContact C-O 3.49Å; R377-D505 PolarHBondContact N-OD2 2.99Å
378	G	88.9	Confident	85.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	156.9	177.8	0	0	0	0	0	115.4	V484 R503 D505	G378-V484 CarbonylContact C-O 3.58Å; G378-V484 WeakPolarHBondContact CA-O 3.05Å; G378-R503 WeakPolarHBondContact CA-O 3.44Å; G378-R503 PolarHBondContact N-O 3.11Å; G378-D505 PolarHBondContact O-N 3.33Å
379	V	92.3	Very high	85.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.7	178.8	-176.4	0	0	0	0	109.4	T357 I358 L381 V484 L485 G486 K506 L508	T357-V379 HydrophobicContact CG2-CG2 3.51Å; I358-V379 HydrophobicContact CD1-CB 4.46Å; I358-V379 HydrophobicContact CD1-CG2 4.07Å; I358-V379 HydrophobicContact CG1-CG2 4.1Å; V379-L381 HydrophobicContact CG1-CD2 4.28Å; V379-V484 PolarHBondContact N-O 2.94Å; V379-L485 HydrophobicContact CB-CD2 3.88Å; V379-L485 HydrophobicContact CG1-CD2 4.4Å; V379-L485 WeakPolarHBondContact O-CA 3.47Å; V379-G486 PolarHBondContact O-N 3.45Å; V379-K506 CarbonylContact C-O 3.57Å; V379-K506 WeakPolarHBondContact CA-O 3.34Å; V379-K506 HydrophobicContact CG1-CB 4.22Å; V379-K506 HydrophobicContact CG2-CB 4.29Å; V379-L508 HydrophobicContact CG1-CD1 3.68Å; V379-L508 HydrophobicContact CG1-CG 4.01Å
380	L	93.3	Very high	86.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.5	179	-177.2	65	0	0	0	110.3	L444 T488 L494 R499 F504 K506 E507 L508	L380-L444 HydrophobicContact CD1-CD2 3.88Å; L380-T488 HydrophobicContact CD1-CG2 3.94Å; L380-T488 HydrophobicContact CG-CG2 4.36Å; L380-L494 HydrophobicContact CD1-CD2 4.48Å; L380-L494 HydrophobicContact CD2-CD2 3.9Å; L380-R499 HydrophobicContact CD2-CG 4.46Å; L380-F504 HydrophobicContact CB-CB 4.14Å; L380-F504 HydrophobicContact CB-CD1 4.04Å; L380-F504 HydrophobicContact CB-CG 4.03Å; L380-K506 PolarHBondContact N-O 2.92Å; L380-E507 HydrophobicContact CB-CG 4.36Å; L380-E507 HydrophobicContact CD2-CG 4.39Å; L380-E507 CarbonylContact O-C 3.39Å; L380-E507 WeakPolarHBondContact O-CA 3.3Å; L380-L508 PolarHBondContact O-N 2.95Å
381	L	93.8	Very high	86.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.6	171.8	-53.6	-176.8	0	0	0	109.4	I354 V379 K389 I392 L485 G486 A487 T488 L508	I354-L381 HydrophobicContact CD1-CD2 4.31Å; V379-L381 HydrophobicContact CG1-CD2 4.28Å; L381-K389 HydrophobicContact CB-CD 4.02Å; L381-K389 HydrophobicContact CB-CG 4.1Å; L381-I392 HydrophobicContact CD1-CG2 4.42Å; L381-L485 HydrophobicContact CG-CD2 4.46Å; L381-G486 PolarHBondContact N-O 2.93Å; L381-A487 WeakPolarHBondContact O-CA 3.41Å; L381-T488 PolarHBondContact O-N 3.19Å; L381-L508 HydrophobicContact CD2-CB 3.99Å; L381-L508 HydrophobicContact CD2-CD1 4.01Å
382	Y	91.4	Very high	86.7	Confident	49 Å²	49	35.5 Å²	35.5	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.2	178	74.1	-94.5	0	0	0	113.4	T488 P491 E507 L508 E509 V510	Y382-T488 VanDerWaalsContact CA-O 3.28Å; Y382-T488 WeakPolarHBondContact CA-O 3.33Å; Y382-P491 HydrophobicContact CD2-CG 3.81Å; Y382-P491 HydrophobicContact CE2-CG 4.45Å; Y382-P491 HydrophobicContact CG-CB 4.29Å; Y382-P491 HydrophobicContact CG-CG 4.04Å; Y382-E507 HydrophobicContact CD1-CB 4.24Å; Y382-E507 HydrophobicContact CE1-CB 3.91Å; Y382-L508 PolarHBondContact N-O 2.92Å; Y382-E509 HydrophobicContact CD2-CG 4.17Å; Y382-E509 HydrophobicContact CE1-CB 4.22Å; Y382-E509 HydrophobicContact CE2-CB 3.77Å; Y382-E509 VanDerWaalsContact CE2-CD 3.43Å; Y382-E509 HydrophobicContact CE2-CG 3.5Å; Y382-E509 WeakPolarHBondContact CE2-OE2 3.38Å; Y382-E509 VanDerWaalsContact CZ-OE2 3.28Å; Y382-E509 PolarHBondContact OH-OE2 3.48Å; Y382-V510 PolarHBondContact O-N 3.22Å
383	G	88.1	Confident	87.3	Confident	9 Å²	9	32.4 Å²	32.4	9%	0.093	20%	0.195	C	C	.	.	S	Bend	trans	141.5	-173.1	174.5	0	0	0	0	0	112.8	K389 T488 N489	G383-K389 PolarHBondContact O-NZ 3.32Å; G383-T488 PolarHBondContact N-O 2.71Å; G383-N489 WeakPolarHBondContact O-CA 3.48Å; G383-N489 PolarHBondContact O-OD1 2.74Å
384	P	83.3	Confident	87.6	Confident	29 Å²	29	32.8 Å²	32.8	19%	0.188	19%	0.191	C	C	.	.	S	Bend	trans	-57.4	153.5	-178.1	-25	35.1	0	0	0	114	T387 K389 V512	P384-T387 HydrophobicContact CB-CG2 4.17Å; P384-T387 WeakPolarHBondContact O-CG2 3.43Å; P384-T387 PolarHBondContact O-OG1 2.75Å; P384-T387 VanDerWaalsContact O-OG1 3.05Å; P384-K389 PolarHBondContact O-NZ 3.21Å; P384-V512 HydrophobicContact CG-CG2 4.03Å
385	P	85.3	Confident	88.1	Confident	48 Å²	48	27.7 Å²	27.7	31%	0.312	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	156.7	172.7	28.4	-34.9	0	0	0	111.3	T387	P385-T387 VanDerWaalsContact C-N 3.26Å; P385-T387 PolarHBondContact O-N 2.89Å
386	G	84.3	Confident	88.5	Confident	34 Å²	34	25.7 Å²	25.7	35%	0.351	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	2.1	177.9	0	0	0	0	0	116	G388 G550 A551	G386-G388 VanDerWaalsContact C-N 3.29Å; G386-G388 PolarHBondContact O-N 2.81Å; G386-G550 PolarHBondContact O-N 2.76Å; G386-A551 WeakPolarHBondContact O-CB 3.4Å; G386-A551 PolarHBondContact O-N 2.99Å
387	T	86.1	Confident	88.8	Confident	14 Å²	14	24.4 Å²	24.4	9%	0.086	14%	0.136	C	C	.	.	S	Bend	trans	-78	-7.1	176.2	58.6	0	0	0	0	114.7	P384 P385 K389 V510 G511 V549	P384-T387 HydrophobicContact CB-CG2 4.17Å; P384-T387 WeakPolarHBondContact O-CG2 3.43Å; P384-T387 PolarHBondContact O-OG1 2.75Å; P384-T387 VanDerWaalsContact O-OG1 3.05Å; P385-T387 VanDerWaalsContact C-N 3.26Å; P385-T387 PolarHBondContact O-N 2.89Å; T387-K389 PolarHBondContact OG1-NZ 2.83Å; T387-V510 PolarHBondContact OG1-O 3.08Å; T387-G511 VanDerWaalsContact CG2-O 3.23Å; T387-G511 WeakPolarHBondContact CG2-O 3.41Å; T387-V549 HydrophobicContact CG2-CB 4.41Å; T387-V549 HydrophobicContact CG2-CG1 3.61Å
388	G	87.2	Confident	89	Confident	27 Å²	27	24.3 Å²	24.3	28%	0.278	14%	0.141	S	C	.	.			trans	96	14.5	174.3	0	0	0	0	0	116.3	G386 T390 M391 I392	G386-G388 VanDerWaalsContact C-N 3.29Å; G386-G388 PolarHBondContact O-N 2.81Å; G388-T390 VanDerWaalsContact C-N 3.3Å; G388-T390 PolarHBondContact O-N 3.16Å; G388-M391 WeakPolarHBondContact O-CA 3.49Å; G388-M391 WeakPolarHBondContact O-CB 3.42Å; G388-M391 PolarHBondContact O-N 3.22Å; G388-I392 WeakPolarHBondContact O-CG1 3.41Å; G388-I392 PolarHBondContact O-N 2.95Å
389	K	90.3	Very high	88.8	Confident	10 Å²	10	28.6 Å²	28.6	4%	0.043	16%	0.161	C	C	.	.	H	α-helix	trans	-44.3	-49.1	176.9	-73.2	-177.2	-85.2	-70.5	0	113.9	L381 G383 P384 T387 M391 I392 A393 A487 N489 V510	L381-K389 HydrophobicContact CB-CD 4.02Å; L381-K389 HydrophobicContact CB-CG 4.1Å; G383-K389 PolarHBondContact O-NZ 3.32Å; P384-K389 PolarHBondContact O-NZ 3.21Å; T387-K389 PolarHBondContact OG1-NZ 2.83Å; K389-M391 VanDerWaalsContact C-N 3.34Å; K389-M391 PolarHBondContact O-N 3Å; K389-I392 WeakPolarHBondContact O-CB 3.49Å; K389-I392 PolarHBondContact O-N 3.12Å; K389-A393 PolarHBondContact O-N 3.44Å; K389-A487 HydrophobicContact CB-CB 4.27Å; K389-A487 HydrophobicContact CD-CB 4.4Å; K389-N489 WeakPolarHBondContact CE-OD1 3.5Å; K389-V510 HydrophobicContact CG-CB 4.14Å; K389-V510 HydrophobicContact CG-CG1 4.47Å; K389-V510 HydrophobicContact CG-CG2 4.09Å
390	T	89.4	Confident	88.5	Confident	48 Å²	48	30 Å²	30	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-63.4	-34.1	176.6	-37.7	0	0	0	0	113.4	G388 R394 F440 D442	G388-T390 VanDerWaalsContact C-N 3.3Å; G388-T390 PolarHBondContact O-N 3.16Å; T390-R394 WeakPolarHBondContact O-CG 3.47Å; T390-R394 PolarHBondContact O-N 2.96Å; T390-F440 HydrophobicContact CG2-CE1 3.92Å; T390-F440 HydrophobicContact CG2-CZ 4.39Å; T390-D442 WeakPolarHBondContact CB-OD2 3.46Å; T390-D442 WeakPolarHBondContact CG2-OD2 3.36Å; T390-D442 PolarHBondContact OG1-OD2 3.31Å
391	M	89.1	Confident	88.1	Confident	75 Å²	75	33.2 Å²	33.2	37%	0.369	20%	0.201	S	C	.	.	H	α-helix	trans	-71.4	-39.5	177.1	-71.7	-71.5	-75.1	0	0	111.5	V339 M343 G388 K389 R394 A395	V339-M391 HydrophobicContact CB-CE 4.47Å; V339-M391 HydrophobicContact CG1-CE 3.68Å; V339-M391 HydrophobicContact CG2-CE 3.87Å; V339-M391 HydrophobicContact CG2-SD 4.27Å; M343-M391 HydrophobicContact SD-CE 4.44Å; G388-M391 WeakPolarHBondContact O-CA 3.49Å; G388-M391 WeakPolarHBondContact O-CB 3.42Å; G388-M391 PolarHBondContact O-N 3.22Å; K389-M391 VanDerWaalsContact C-N 3.34Å; K389-M391 PolarHBondContact O-N 3Å; M391-R394 PolarHBondContact O-N 2.99Å; M391-A395 WeakPolarHBondContact O-CB 3.47Å; M391-A395 PolarHBondContact O-N 3.27Å
392	I	90.8	Very high	87.7	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-51	175.4	-60.8	163.8	0	0	0	110.1	I344 L347 L351 I354 L381 G388 K389 R394 A395 I396 V510	I344-I392 HydrophobicContact CD1-CB 4.43Å; I344-I392 HydrophobicContact CD1-CG1 4.17Å; L347-I392 HydrophobicContact CD1-CD1 3.51Å; L347-I392 HydrophobicContact CD1-CG1 4.15Å; L351-I392 HydrophobicContact CD2-CG2 4.48Å; I354-I392 HydrophobicContact CD1-CG2 3.58Å; L381-I392 HydrophobicContact CD1-CG2 4.42Å; G388-I392 WeakPolarHBondContact O-CG1 3.41Å; G388-I392 PolarHBondContact O-N 2.95Å; K389-I392 WeakPolarHBondContact O-CB 3.49Å; K389-I392 PolarHBondContact O-N 3.12Å; I392-R394 VanDerWaalsContact C-N 3.31Å; I392-R394 PolarHBondContact O-N 3.26Å; I392-A395 PolarHBondContact O-N 2.98Å; I392-A395 VanDerWaalsContact O-N 3.16Å; I392-I396 HydrophobicContact CG2-CD1 3.8Å; I392-I396 HydrophobicContact CG2-CG1 4.42Å; I392-I396 WeakPolarHBondContact O-CD1 3.4Å; I392-I396 VanDerWaalsContact O-CG1 3.27Å; I392-I396 WeakPolarHBondContact O-CG1 3.4Å; I392-I396 PolarHBondContact O-N 2.89Å; I392-V510 HydrophobicContact CD1-CG1 4.15Å; I392-V510 HydrophobicContact CD1-CG2 4.21Å
393	A	90.1	Very high	87.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-41.5	178.7	0	0	0	0	0	113	K389 A397 M404 F440 L485	K389-A393 PolarHBondContact O-N 3.44Å; A393-A397 PolarHBondContact O-N 2.71Å; A393-M404 VanDerWaalsContact C-CE 3.48Å; A393-M404 HydrophobicContact CB-CE 3.68Å; A393-M404 WeakPolarHBondContact O-CE 3.44Å; A393-F440 HydrophobicContact CB-CB 4.43Å; A393-F440 HydrophobicContact CB-CD1 4.24Å; A393-F440 HydrophobicContact CB-CD2 3.25Å; A393-F440 HydrophobicContact CB-CE1 4.37Å; A393-F440 HydrophobicContact CB-CE2 3.41Å; A393-F440 VanDerWaalsContact CB-CE2 3.41Å; A393-F440 HydrophobicContact CB-CG 3.7Å; A393-F440 HydrophobicContact CB-CZ 4Å; A393-L485 HydrophobicContact CB-CD1 4.22Å
394	R	89.8	Confident	87.7	Confident	100 Å²	100	35.8 Å²	35.8	38%	0.377	22%	0.215	S	C	.	.	H	α-helix	trans	-68.1	-39	176.8	-69.6	176.3	-172	-79.7	0.1	112.6	T390 M391 I392 N398 M404	T390-R394 WeakPolarHBondContact O-CG 3.47Å; T390-R394 PolarHBondContact O-N 2.96Å; M391-R394 PolarHBondContact O-N 2.99Å; I392-R394 VanDerWaalsContact C-N 3.31Å; I392-R394 PolarHBondContact O-N 3.26Å; R394-N398 WeakPolarHBondContact O-CB 3.21Å; R394-N398 VanDerWaalsContact O-CG 3.28Å; R394-N398 PolarHBondContact O-N 3.03Å; R394-N398 VanDerWaalsContact O-N 3.11Å; R394-N398 PolarHBondContact O-ND2 3.11Å; R394-M404 HydrophobicContact CB-SD 4.43Å; R394-M404 HydrophobicContact CG-CE 3.94Å; R394-M404 HydrophobicContact CG-SD 3.91Å
395	A	89.4	Confident	88.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-43.3	176.8	0	0	0	0	0	112.4	V339 Y341 I344 M391 I392 A397 N398 E399	V339-A395 HydrophobicContact CG1-CB 4.14Å; V339-A395 WeakPolarHBondContact O-CA 3.45Å; Y341-A395 HydrophobicContact CD1-CB 4.14Å; Y341-A395 HydrophobicContact CE1-CB 4.39Å; I344-A395 HydrophobicContact CD1-CB 3.45Å; I344-A395 VanDerWaalsContact CD1-CB 3.45Å; I344-A395 HydrophobicContact CG1-CB 4.41Å; M391-A395 WeakPolarHBondContact O-CB 3.47Å; M391-A395 PolarHBondContact O-N 3.27Å; I392-A395 PolarHBondContact O-N 2.98Å; I392-A395 VanDerWaalsContact O-N 3.16Å; A395-A397 PolarHBondContact O-N 3.42Å; A395-N398 PolarHBondContact O-N 2.88Å; A395-E399 PolarHBondContact O-N 2.9Å
396	I	89.4	Confident	88.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-50.3	176.6	-64.7	158.2	0	0	0	110.6	Y341 I354 I358 I392 N398 E399 L400 I438 L485	Y341-I396 HydrophobicContact CE1-CG1 3.96Å; Y341-I396 WeakPolarHBondContact OH-CG1 3.38Å; I354-I396 HydrophobicContact CD1-CD1 4.34Å; I354-I396 HydrophobicContact CG2-CD1 3.51Å; I354-I396 HydrophobicContact CG2-CG1 3.68Å; I358-I396 HydrophobicContact CD1-CD1 4.23Å; I358-I396 HydrophobicContact CG2-CG2 3.79Å; I392-I396 HydrophobicContact CG2-CD1 3.8Å; I392-I396 HydrophobicContact CG2-CG1 4.42Å; I392-I396 WeakPolarHBondContact O-CD1 3.4Å; I392-I396 VanDerWaalsContact O-CG1 3.27Å; I392-I396 WeakPolarHBondContact O-CG1 3.4Å; I392-I396 PolarHBondContact O-N 2.89Å; I396-N398 PolarHBondContact O-N 2.77Å; I396-E399 PolarHBondContact O-N 3.34Å; I396-L400 HydrophobicContact CG2-CD1 3.71Å; I396-L400 HydrophobicContact CG2-CG 4.47Å; I396-L400 WeakPolarHBondContact O-CB 3.38Å; I396-L400 VanDerWaalsContact O-CG 3.28Å; I396-L400 WeakPolarHBondContact O-CG 3.44Å; I396-L400 PolarHBondContact O-N 3.04Å; I396-I438 HydrophobicContact CG2-CD1 4Å; I396-L485 HydrophobicContact CD1-CD1 4.21Å
397	A	89.2	Confident	88.8	Confident	3 Å²	3	34 Å²	34	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-179.1	0	0	0	0	0	112.7	A393 A395 G401 A402 M404 I438	A393-A397 PolarHBondContact O-N 2.71Å; A395-A397 PolarHBondContact O-N 3.42Å; A397-G401 PolarHBondContact O-N 3.14Å; A397-A402 PolarHBondContact O-N 2.87Å; A397-A402 VanDerWaalsContact O-N 3.11Å; A397-M404 HydrophobicContact CB-CB 3.71Å; A397-M404 HydrophobicContact CB-CG 3.92Å; A397-M404 HydrophobicContact CB-SD 3.87Å; A397-I438 HydrophobicContact CB-CD1 4.35Å
398	N	88	Confident	89	Confident	61 Å²	61	35.7 Å²	35.7	33%	0.326	20%	0.204	S	C	.	.	H	α-helix	trans	-65.9	-40.4	178.1	-74.6	-27.3	0	0	0	112.9	V339 R394 A395 I396 G401	V339-N398 PolarHBondContact N-ND2 2.9Å; V339-N398 VanDerWaalsContact O-CB 3.3Å; V339-N398 WeakPolarHBondContact O-CB 3.47Å; V339-N398 PolarHBondContact O-ND2 3.08Å; R394-N398 WeakPolarHBondContact O-CB 3.21Å; R394-N398 VanDerWaalsContact O-CG 3.28Å; R394-N398 PolarHBondContact O-N 3.03Å; R394-N398 VanDerWaalsContact O-N 3.11Å; R394-N398 PolarHBondContact O-ND2 3.11Å; A395-N398 PolarHBondContact O-N 2.88Å; I396-N398 PolarHBondContact O-N 2.77Å; N398-G401 PolarHBondContact O-N 3.04Å
399	E	85.4	Confident	88.9	Confident	91 Å²	91	34.4 Å²	34.4	43%	0.425	19%	0.19	S	C	.	.	H	α-helix	trans	-69.5	-39.1	178.9	-163.4	86	-169	0	0	111.9	Y341 A395 I396 G401	Y341-E399 HydrophobicContact CD2-CB 3.96Å; Y341-E399 HydrophobicContact CD2-CG 3.63Å; Y341-E399 HydrophobicContact CE2-CB 3.68Å; Y341-E399 HydrophobicContact CE2-CG 3.55Å; A395-E399 PolarHBondContact O-N 2.9Å; I396-E399 PolarHBondContact O-N 3.34Å; E399-G401 VanDerWaalsContact C-N 3.29Å
400	L	85	Confident	88.6	Confident	29 Å²	29	37.2 Å²	37.2	15%	0.152	21%	0.21	C	C	.	.	H	α-helix	trans	-79.9	-11.1	179.4	-62.5	177.3	0	0	0	113.2	I358 E359 L362 K363 I396 A402 I438	I358-L400 HydrophobicContact CG2-CD1 3.91Å; E359-L400 HydrophobicContact CB-CD2 3.97Å; E359-L400 HydrophobicContact CG-CD2 3.84Å; L362-L400 HydrophobicContact CD1-CD1 3.7Å; K363-L400 HydrophobicContact CG-CD2 4.29Å; I396-L400 HydrophobicContact CG2-CD1 3.71Å; I396-L400 HydrophobicContact CG2-CG 4.47Å; I396-L400 WeakPolarHBondContact O-CB 3.38Å; I396-L400 VanDerWaalsContact O-CG 3.28Å; I396-L400 WeakPolarHBondContact O-CG 3.44Å; I396-L400 PolarHBondContact O-N 3.04Å; L400-A402 HydrophobicContact CB-CB 4.22Å; L400-A402 PolarHBondContact O-N 3.05Å; L400-I438 HydrophobicContact CD1-CD1 4.27Å
401	G	84.3	Confident	88.3	Confident	67 Å²	67	40.2 Å²	40.2	69%	0.691	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	18.7	-172.6	0	0	0	0	0	113.6	A397 N398 E399	A397-G401 PolarHBondContact O-N 3.14Å; N398-G401 PolarHBondContact O-N 3.04Å; E399-G401 VanDerWaalsContact C-N 3.29Å
402	A	85.8	Confident	88	Confident	11 Å²	11	36.9 Å²	36.9	9%	0.091	20%	0.204	C	C	.	.			trans	-82.3	147.9	-174.4	0	0	0	0	0	111.7	A397 L400 M404 P436 I438	A397-A402 PolarHBondContact O-N 2.87Å; A397-A402 VanDerWaalsContact O-N 3.11Å; L400-A402 HydrophobicContact CB-CB 4.22Å; L400-A402 PolarHBondContact O-N 3.05Å; A402-M404 PolarHBondContact O-N 3.35Å; A402-M404 VanDerWaalsContact O-N 3.15Å; A402-P436 WeakPolarHBondContact CA-O 3.27Å; A402-I438 HydrophobicContact CB-CD1 4.02Å; A402-I438 HydrophobicContact CB-CG1 4.09Å
403	H	89.8	Confident	87.5	Confident	58 Å²	58	40.9 Å²	40.9	27%	0.269	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.7	177.6	179.1	-91.1	0	0	0	110.9	V405 R434 P436 A437 I438	H403-V405 VanDerWaalsContact CE1-CG2 3.48Å; H403-V405 WeakPolarHBondContact CE1-CG2 3.35Å; H403-R434 HydrophobicContact CB-CB 4.12Å; H403-R434 PolarHBondContact CE1-NH1 2.8Å; H403-R434 VanDerWaalsContact NE2-CD 3.34Å; H403-R434 WeakPolarHBondContact NE2-CD 3.5Å; H403-R434 PolarHBondContact NE2-NH1 3.04Å; H403-P436 PolarHBondContact N-O 3.32Å; H403-A437 HydrophobicContact CB-CB 4.32Å; H403-A437 VanDerWaalsContact O-CA 3.31Å; H403-A437 WeakPolarHBondContact O-CA 3.48Å; H403-I438 PolarHBondContact O-N 3.45Å
404	M	90.6	Very high	87.1	Confident	44 Å²	44	42.6 Å²	42.6	22%	0.217	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.2	179.8	-162.8	-176.2	-170.1	0	0	111.7	A393 R394 A397 A402 V406 I438 F440	A393-M404 VanDerWaalsContact C-CE 3.48Å; A393-M404 HydrophobicContact CB-CE 3.68Å; A393-M404 WeakPolarHBondContact O-CE 3.44Å; R394-M404 HydrophobicContact CB-SD 4.43Å; R394-M404 HydrophobicContact CG-CE 3.94Å; R394-M404 HydrophobicContact CG-SD 3.91Å; A397-M404 HydrophobicContact CB-CB 3.71Å; A397-M404 HydrophobicContact CB-CG 3.92Å; A397-M404 HydrophobicContact CB-SD 3.87Å; A402-M404 PolarHBondContact O-N 3.35Å; A402-M404 VanDerWaalsContact O-N 3.15Å; M404-V406 HydrophobicContact CE-CG2 3.93Å; M404-V406 HydrophobicContact CG-CG2 4.25Å; M404-V406 HydrophobicContact SD-CG2 4.01Å; M404-I438 WeakPolarHBondContact CA-O 3.24Å; M404-F440 HydrophobicContact CE-CB 3.5Å; M404-F440 VanDerWaalsContact CE-CB 3.5Å; M404-F440 HydrophobicContact CE-CD1 4.04Å; M404-F440 HydrophobicContact CE-CG 3.79Å
405	V	91.7	Very high	86.5	Confident	22 Å²	22	47.2 Å²	47.2	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.5	163.7	-172.2	0	0	0	0	109	H403 I407 I427 A431 I438 F440	H403-V405 VanDerWaalsContact CE1-CG2 3.48Å; H403-V405 WeakPolarHBondContact CE1-CG2 3.35Å; V405-I407 HydrophobicContact CG1-CG1 4.43Å; V405-I427 HydrophobicContact CB-CG2 4.36Å; V405-I427 HydrophobicContact CG1-CG2 3.66Å; V405-A431 HydrophobicContact CG2-CB 4.35Å; V405-I438 PolarHBondContact N-O 3.39Å; V405-F440 PolarHBondContact O-N 2.89Å
406	V	91.6	Very high	86	Confident	45 Å²	45	54.7 Å²	54.7	27%	0.273	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.4	175.6	175.5	0	0	0	0	109.2	M404 F440	M404-V406 HydrophobicContact CE-CG2 3.93Å; M404-V406 HydrophobicContact CG-CG2 4.25Å; M404-V406 HydrophobicContact SD-CG2 4.01Å; V406-F440 HydrophobicContact CG1-CD1 4.21Å; V406-F440 HydrophobicContact CG2-CD1 4.33Å
407	I	91.5	Very high	85.4	Confident	6 Å²	6	64 Å²	64	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	114.4	175.2	-50.5	-176.3	0	0	0	107.2	V405 V412 L424 I427 I439 F440 I441 D442	V405-I407 HydrophobicContact CG1-CG1 4.43Å; I407-V412 HydrophobicContact CG2-CG2 3.3Å; I407-L424 HydrophobicContact CD1-CD2 4.21Å; I407-I427 HydrophobicContact CD1-CB 4.46Å; I407-I427 HydrophobicContact CD1-CD1 4.08Å; I407-I427 HydrophobicContact CD1-CG2 3.68Å; I407-I427 HydrophobicContact CG1-CD1 4.29Å; I407-I427 HydrophobicContact CG1-CG2 4.24Å; I407-I439 HydrophobicContact CD1-CG2 3.72Å; I407-I439 HydrophobicContact CG1-CG2 4.3Å; I407-F440 PolarHBondContact N-O 2.88Å; I407-I441 HydrophobicContact CB-CG1 4.4Å; I407-I441 HydrophobicContact CD1-CG1 4.28Å; I407-I441 CarbonylContact O-C 3.57Å; I407-I441 WeakPolarHBondContact O-CA 3.42Å; I407-D442 PolarHBondContact O-N 3.42Å
408	N	90.7	Very high	85.1	Confident	50 Å²	50	65.6 Å²	65.6	27%	0.267	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.2	171.8	-62.1	-29.3	0	0	0	108.7	E411 V412	N408-E411 HydrophobicContact CB-CB 4.31Å; N408-E411 HydrophobicContact CB-CG 3.92Å; N408-E411 PolarHBondContact ND2-OE1 3.24Å; N408-E411 WeakPolarHBondContact O-CB 3.49Å; N408-E411 PolarHBondContact O-N 3.25Å; N408-V412 WeakPolarHBondContact O-CG2 3.48Å
409	G	84.3	Confident	85	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-48.2	-51.8	-173.9	0	0	0	0	0	115.2	E411 V412 D442 L447	G409-E411 VanDerWaalsContact C-N 3.3Å; G409-E411 PolarHBondContact O-N 3.22Å; G409-V412 PolarHBondContact O-N 3.07Å; G409-D442 PolarHBondContact N-O 3.01Å; G409-L447 VanDerWaalsContact O-CD2 3.31Å; G409-L447 WeakPolarHBondContact O-CD2 3.32Å
410	P	84.5	Confident	85.1	Confident	69 Å²	69	63.3 Å²	63.3	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-27.5	178.3	-25.5	35.6	0	0	0	115.1	V412 E443	P410-V412 VanDerWaalsContact C-N 3.32Å; P410-V412 PolarHBondContact O-N 2.91Å; P410-E443 VanDerWaalsContact CD-OE2 3.32Å; P410-E443 WeakPolarHBondContact CD-OE2 3.48Å; P410-E443 VanDerWaalsContact CG-OE2 3.27Å; P410-E443 WeakPolarHBondContact CG-OE2 3.47Å
411	E	83.4	Confident	85.2	Confident	111 Å²	111	63.8 Å²	63.8	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-75.5	-18.9	-174.9	-70	178.7	-164.6	0	0	113.9	N408 G409 R423	N408-E411 HydrophobicContact CB-CB 4.31Å; N408-E411 HydrophobicContact CB-CG 3.92Å; N408-E411 PolarHBondContact ND2-OE1 3.24Å; N408-E411 WeakPolarHBondContact O-CB 3.49Å; N408-E411 PolarHBondContact O-N 3.25Å; G409-E411 VanDerWaalsContact C-N 3.3Å; G409-E411 PolarHBondContact O-N 3.22Å; E411-R423 PolarHBondContact O-NH1 2.91Å
412	V	82	Confident	85.4	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-85.5	-25.4	-179.8	-145.2	0	0	0	0	111.7	I407 N408 G409 P410 S414 T420 L424 L447	I407-V412 HydrophobicContact CG2-CG2 3.3Å; N408-V412 WeakPolarHBondContact O-CG2 3.48Å; G409-V412 PolarHBondContact O-N 3.07Å; P410-V412 VanDerWaalsContact C-N 3.32Å; P410-V412 PolarHBondContact O-N 2.91Å; V412-S414 PolarHBondContact O-N 3.18Å; V412-T420 HydrophobicContact CB-CG2 4.22Å; V412-T420 HydrophobicContact CG1-CG2 3.95Å; V412-T420 VanDerWaalsContact O-CB 3.29Å; V412-T420 WeakPolarHBondContact O-CB 3.23Å; V412-T420 VanDerWaalsContact O-CG2 3.25Å; V412-T420 WeakPolarHBondContact O-CG2 3.41Å; V412-T420 PolarHBondContact O-OG1 3.01Å; V412-L424 HydrophobicContact CG1-CD2 4.05Å; V412-L424 HydrophobicContact CG1-CG 3.99Å; V412-L447 HydrophobicContact CB-CD2 4.11Å; V412-L447 HydrophobicContact CG2-CD1 4.19Å; V412-L447 HydrophobicContact CG2-CD2 4.11Å
413	I	80.8	Confident	85.6	Confident	86 Å²	86	68.2 Å²	68.2	44%	0.441	34%	0.341	S	S	.	.			trans	-77.1	106.6	-174.7	-56.3	173.5	0	0	0	109.1	L447	I413-L447 HydrophobicContact CD1-CD2 4.29Å; I413-L447 HydrophobicContact CG1-CD2 3.88Å
414	S	81.4	Confident	85.6	Confident	36 Å²	36	65.5 Å²	65.5	25%	0.252	33%	0.328	S	S	.	.			trans	-105	167.4	174.4	103.1	0	0	0	0	111.3	V412 F416 E419 T420	V412-S414 PolarHBondContact O-N 3.18Å; S414-F416 VanDerWaalsContact C-N 3.27Å; S414-F416 PolarHBondContact OG-N 3.26Å; S414-F416 PolarHBondContact OG-O 3.4Å; S414-E419 WeakPolarHBondContact CB-OE2 3.23Å; S414-E419 PolarHBondContact OG-OE2 2.8Å; S414-T420 PolarHBondContact N-OG1 3.34Å; S414-T420 VanDerWaalsContact N-OG1 3.14Å
415	K	78.6	Confident	85.6	Confident	198 Å²	198	68.1 Å²	68.1	86%	0.861	34%	0.335	S	S	*	.	S	Bend	trans	-78.2	-10.4	175.4	-65	-177.5	-180	178.6	0	113.1
416	F	78.1	Confident	85.6	Confident	156 Å²	156	73.3 Å²	73.3	68%	0.684	36%	0.358	S	S	*	.	S	Bend	trans	-100.9	124	-173.2	-61.1	-73.4	0	0	0	111	S414 G418 E419	S414-F416 VanDerWaalsContact C-N 3.27Å; S414-F416 PolarHBondContact OG-N 3.26Å; S414-F416 PolarHBondContact OG-O 3.4Å; F416-G418 PolarHBondContact O-N 3.18Å; F416-E419 HydrophobicContact CB-CB 4.3Å; F416-E419 PolarHBondContact O-N 3.03Å
417	Y	76.6	Confident	85.5	Confident	197 Å²	197	72.2 Å²	72.2	77%	0.773	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	125.4	-178.4	-68.1	-86.3	0	0	0	111.8	E419 V458	Y417-E419 VanDerWaalsContact C-N 3.33Å; Y417-E419 PolarHBondContact O-N 3.48Å; Y417-V458 HydrophobicContact CD1-CG2 3.82Å; Y417-V458 HydrophobicContact CE1-CG2 3.54Å
418	G	82.9	Confident	85.5	Confident	36 Å²	36	72.4 Å²	72.4	37%	0.371	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-15.4	175.5	0	0	0	0	0	115.6	F416 E421 A422	F416-G418 PolarHBondContact O-N 3.18Å; G418-E421 PolarHBondContact O-N 3.18Å; G418-A422 WeakPolarHBondContact O-CB 3.28Å; G418-A422 PolarHBondContact O-N 3.17Å
419	E	86.4	Confident	85.4	Confident	98 Å²	98	73.7 Å²	73.7	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-46.8	179.1	-173.9	-173.8	-169.4	0	0	111.6	S414 F416 Y417 E421 A422 R423	S414-E419 WeakPolarHBondContact CB-OE2 3.23Å; S414-E419 PolarHBondContact OG-OE2 2.8Å; F416-E419 HydrophobicContact CB-CB 4.3Å; F416-E419 PolarHBondContact O-N 3.03Å; Y417-E419 VanDerWaalsContact C-N 3.33Å; Y417-E419 PolarHBondContact O-N 3.48Å; E419-E421 VanDerWaalsContact C-N 3.26Å; E419-E421 PolarHBondContact O-N 3.48Å; E419-A422 PolarHBondContact O-N 2.96Å; E419-R423 WeakPolarHBondContact O-CB 3.48Å; E419-R423 PolarHBondContact O-N 3.18Å
420	T	87.3	Confident	85.6	Confident	6 Å²	6	76.6 Å²	76.6	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-53.8	-41.7	173.3	-60.8	0	0	0	0	112.4	V412 S414 L424 V462	V412-T420 HydrophobicContact CB-CG2 4.22Å; V412-T420 HydrophobicContact CG1-CG2 3.95Å; V412-T420 VanDerWaalsContact O-CB 3.29Å; V412-T420 WeakPolarHBondContact O-CB 3.23Å; V412-T420 VanDerWaalsContact O-CG2 3.25Å; V412-T420 WeakPolarHBondContact O-CG2 3.41Å; V412-T420 PolarHBondContact O-OG1 3.01Å; S414-T420 PolarHBondContact N-OG1 3.34Å; S414-T420 VanDerWaalsContact N-OG1 3.14Å; T420-L424 WeakPolarHBondContact O-CG 3.41Å; T420-L424 PolarHBondContact O-N 2.93Å; T420-L424 VanDerWaalsContact O-N 3.08Å; T420-V462 HydrophobicContact CG2-CB 4.5Å; T420-V462 HydrophobicContact CG2-CG1 4.04Å; T420-V462 HydrophobicContact CG2-CG2 3.57Å
421	E	86.9	Confident	85.8	Confident	39 Å²	39	73.3 Å²	73.3	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-70.7	-45.9	178.5	166.8	165.1	-166.8	0	0	111.8	G418 E419 R423 L424 R425 R461 S465	G418-E421 PolarHBondContact O-N 3.18Å; E419-E421 VanDerWaalsContact C-N 3.26Å; E419-E421 PolarHBondContact O-N 3.48Å; E421-R423 VanDerWaalsContact C-N 3.3Å; E421-R423 PolarHBondContact O-N 2.71Å; E421-L424 PolarHBondContact O-N 3.04Å; E421-R425 VanDerWaalsContact O-CG 3.32Å; E421-R425 WeakPolarHBondContact O-CG 3.22Å; E421-R425 PolarHBondContact O-N 3.24Å; E421-R425 IonicContact OE1-CZ 2.75Å; E421-R425 VanDerWaalsContact OE1-CZ 3.29Å; E421-R425 IonicContact OE1-NE 3.78Å; E421-R425 PolarHBondContact OE1-NE 2.9Å; E421-R425 IonicContact OE1-NH2 2.96Å; E421-R425 PolarHBondContact OE1-NH2 2.91Å; E421-R461 WeakPolarHBondContact OE2-CD 3.49Å; E421-S465 WeakPolarHBondContact CG-OG 2.96Å; E421-S465 PolarHBondContact OE1-OG 3.08Å
422	A	89.3	Confident	85.9	Confident	58 Å²	58	69.3 Å²	69.3	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-41.5	176.4	0	0	0	0	0	111.5	G418 E419 R425 Q426	G418-A422 WeakPolarHBondContact O-CB 3.28Å; G418-A422 PolarHBondContact O-N 3.17Å; E419-A422 PolarHBondContact O-N 2.96Å; A422-R425 PolarHBondContact O-N 2.96Å; A422-Q426 WeakPolarHBondContact O-CB 3.39Å; A422-Q426 PolarHBondContact O-N 3.46Å
423	R	89.6	Confident	86	Confident	113 Å²	113	76.4 Å²	76.4	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-41.7	177.2	-170.6	171.8	176.5	-157.2	-7.1	112.4	E411 E419 E421 Q426 I427	E411-R423 PolarHBondContact O-NH1 2.91Å; E419-R423 WeakPolarHBondContact O-CB 3.48Å; E419-R423 PolarHBondContact O-N 3.18Å; E421-R423 VanDerWaalsContact C-N 3.3Å; E421-R423 PolarHBondContact O-N 2.71Å; R423-Q426 PolarHBondContact O-N 3.37Å; R423-I427 HydrophobicContact CG-CD1 4.12Å; R423-I427 WeakPolarHBondContact O-CD1 3.49Å; R423-I427 VanDerWaalsContact O-CG1 3.27Å; R423-I427 WeakPolarHBondContact O-CG1 3.35Å; R423-I427 PolarHBondContact O-N 2.76Å
424	L	89.9	Confident	86.3	Confident	1 Å²	1	78 Å²	78	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-47.3	171.6	-74.3	172.6	0	0	0	111.5	I407 V412 T420 E421 Q426 I427 F428 V462 L469	I407-L424 HydrophobicContact CD1-CD2 4.21Å; V412-L424 HydrophobicContact CG1-CD2 4.05Å; V412-L424 HydrophobicContact CG1-CG 3.99Å; T420-L424 WeakPolarHBondContact O-CG 3.41Å; T420-L424 PolarHBondContact O-N 2.93Å; T420-L424 VanDerWaalsContact O-N 3.08Å; E421-L424 PolarHBondContact O-N 3.04Å; L424-Q426 VanDerWaalsContact C-N 3.29Å; L424-Q426 PolarHBondContact O-N 2.87Å; L424-I427 PolarHBondContact O-N 3.43Å; L424-F428 VanDerWaalsContact O-CD2 3.28Å; L424-F428 WeakPolarHBondContact O-CD2 3.36Å; L424-F428 PolarHBondContact O-N 3.22Å; L424-V462 HydrophobicContact CD1-CG1 3.9Å; L424-L469 HydrophobicContact CB-CD1 4.16Å
425	R	90	Very high	86.3	Confident	99 Å²	99	79.2 Å²	79.2	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-37.7	177.6	-69.1	173.4	-179.7	-76.3	0	112.5	E421 A422 T429 S465 L469	E421-R425 VanDerWaalsContact O-CG 3.32Å; E421-R425 WeakPolarHBondContact O-CG 3.22Å; E421-R425 PolarHBondContact O-N 3.24Å; E421-R425 IonicContact OE1-CZ 2.75Å; E421-R425 VanDerWaalsContact OE1-CZ 3.29Å; E421-R425 IonicContact OE1-NE 3.78Å; E421-R425 PolarHBondContact OE1-NE 2.9Å; E421-R425 IonicContact OE1-NH2 2.96Å; E421-R425 PolarHBondContact OE1-NH2 2.91Å; A422-R425 PolarHBondContact O-N 2.96Å; R425-T429 WeakPolarHBondContact O-CB 3.46Å; R425-T429 PolarHBondContact O-N 3.5Å; R425-T429 VanDerWaalsContact O-N 3.1Å; R425-T429 PolarHBondContact O-OG1 3.2Å; R425-S465 PolarHBondContact NH2-OG 3.02Å; R425-L469 HydrophobicContact CG-CD1 4.15Å; R425-L469 HydrophobicContact CG-CD2 4.22Å
426	Q	90.8	Very high	86.7	Confident	130 Å²	130	72.5 Å²	72.5	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-47.3	174.3	-176.7	179.4	-1	0	0	111.6	A422 R423 L424 F428 T429 E430	A422-Q426 WeakPolarHBondContact O-CB 3.39Å; A422-Q426 PolarHBondContact O-N 3.46Å; R423-Q426 PolarHBondContact O-N 3.37Å; L424-Q426 VanDerWaalsContact C-N 3.29Å; L424-Q426 PolarHBondContact O-N 2.87Å; Q426-F428 PolarHBondContact O-N 2.83Å; Q426-T429 WeakPolarHBondContact O-CB 3.48Å; Q426-T429 PolarHBondContact O-N 2.93Å; Q426-E430 PolarHBondContact O-N 3.32Å
427	I	91.1	Very high	87.2	Confident	22 Å²	22	65 Å²	65	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-43.4	179.9	-70.7	161.7	0	0	0	111.7	V405 I407 R423 L424 E430 A431	V405-I427 HydrophobicContact CB-CG2 4.36Å; V405-I427 HydrophobicContact CG1-CG2 3.66Å; I407-I427 HydrophobicContact CD1-CB 4.46Å; I407-I427 HydrophobicContact CD1-CD1 4.08Å; I407-I427 HydrophobicContact CD1-CG2 3.68Å; I407-I427 HydrophobicContact CG1-CD1 4.29Å; I407-I427 HydrophobicContact CG1-CG2 4.24Å; R423-I427 HydrophobicContact CG-CD1 4.12Å; R423-I427 WeakPolarHBondContact O-CD1 3.49Å; R423-I427 VanDerWaalsContact O-CG1 3.27Å; R423-I427 WeakPolarHBondContact O-CG1 3.35Å; R423-I427 PolarHBondContact O-N 2.76Å; L424-I427 PolarHBondContact O-N 3.43Å; I427-E430 PolarHBondContact O-N 3.1Å; I427-A431 WeakPolarHBondContact O-CB 3.17Å; I427-A431 PolarHBondContact O-N 2.82Å
428	F	90.1	Very high	87.9	Confident	11 Å²	11	55.7 Å²	55.7	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-36.8	177.4	-82.4	-113.1	0	0	0	111.8	L424 Q426 S432 I439 L466 L469 I473 V484	L424-F428 VanDerWaalsContact O-CD2 3.28Å; L424-F428 WeakPolarHBondContact O-CD2 3.36Å; L424-F428 PolarHBondContact O-N 3.22Å; Q426-F428 PolarHBondContact O-N 2.83Å; F428-S432 WeakPolarHBondContact O-CB 3.28Å; F428-S432 PolarHBondContact O-N 3.39Å; F428-I439 HydrophobicContact CB-CD1 4.48Å; F428-I439 HydrophobicContact CD1-CD1 3.64Å; F428-I439 HydrophobicContact CD2-CD1 3.87Å; F428-I439 HydrophobicContact CE1-CD1 3.73Å; F428-I439 HydrophobicContact CE2-CD1 3.95Å; F428-I439 HydrophobicContact CE2-CG2 4.38Å; F428-I439 HydrophobicContact CG-CD1 3.73Å; F428-I439 HydrophobicContact CZ-CD1 3.88Å; F428-I439 HydrophobicContact CZ-CG2 4.47Å; F428-L466 HydrophobicContact CE2-CD1 4Å; F428-L466 HydrophobicContact CZ-CD1 3.68Å; F428-L469 HydrophobicContact CB-CD2 4.24Å; F428-L469 HydrophobicContact CD1-CB 3.98Å; F428-L469 HydrophobicContact CD2-CD1 4.03Å; F428-L469 HydrophobicContact CE1-CB 4.07Å; F428-L469 HydrophobicContact CE2-CD1 4.37Å; F428-L469 HydrophobicContact CG-CB 4.33Å; F428-L469 HydrophobicContact CG-CD1 4.15Å; F428-L469 HydrophobicContact CG-CD2 4.45Å; F428-I473 HydrophobicContact CD1-CD1 4.18Å; F428-I473 HydrophobicContact CE1-CD1 3.97Å; F428-V484 HydrophobicContact CE1-CG2 4.04Å; F428-V484 HydrophobicContact CZ-CG2 4.33Å
429	T	88.4	Confident	88.4	Confident	77 Å²	77	54 Å²	54	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-46.3	172.5	-54.3	0	0	0	0	111.8	R425 Q426 S432 Q433	R425-T429 WeakPolarHBondContact O-CB 3.46Å; R425-T429 PolarHBondContact O-N 3.5Å; R425-T429 VanDerWaalsContact O-N 3.1Å; R425-T429 PolarHBondContact O-OG1 3.2Å; Q426-T429 WeakPolarHBondContact O-CB 3.48Å; Q426-T429 PolarHBondContact O-N 2.93Å; T429-S432 PolarHBondContact O-N 3.13Å; T429-Q433 WeakPolarHBondContact O-CG 3.44Å; T429-Q433 PolarHBondContact O-N 3.34Å
430	E	88.9	Confident	88.7	Confident	61 Å²	61	49.3 Å²	49.3	29%	0.285	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-41.9	177.9	-178.5	177.5	-175.2	0	0	112	Q426 I427 Q433 R434	Q426-E430 PolarHBondContact O-N 3.32Å; I427-E430 PolarHBondContact O-N 3.1Å; E430-Q433 PolarHBondContact O-N 3.16Å; E430-R434 PolarHBondContact O-N 3.28Å; E430-R434 IonicContact OE1-CZ 3.99Å; E430-R434 IonicContact OE1-NH1 2.67Å; E430-R434 PolarHBondContact OE1-NH1 3.43Å; E430-R434 IonicContact OE1-NH2 3.74Å; E430-R434 PolarHBondContact OE1-NH2 3.23Å
431	A	89.1	Confident	89	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-39.8	176.4	0	0	0	0	0	112	V405 I427 Q433 R434 A437 I439 L482	V405-A431 HydrophobicContact CG2-CB 4.35Å; I427-A431 WeakPolarHBondContact O-CB 3.17Å; I427-A431 PolarHBondContact O-N 2.82Å; A431-Q433 VanDerWaalsContact C-N 3.31Å; A431-Q433 PolarHBondContact O-N 2.92Å; A431-R434 PolarHBondContact O-N 3.02Å; A431-A437 HydrophobicContact CB-CB 4.31Å; A431-A437 VanDerWaalsContact O-CB 3.26Å; A431-A437 WeakPolarHBondContact O-CB 3.2Å; A431-I439 HydrophobicContact CB-CD1 3.84Å; A431-I439 HydrophobicContact CB-CG1 3.77Å; A431-L482 HydrophobicContact CB-CD1 3.75Å
432	S	84.6	Confident	89.3	Confident	27 Å²	27	48.3 Å²	48.3	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-36.8	174.3	179.1	0	0	0	0	112.4	F428 T429 R434 Q435 H478	F428-S432 WeakPolarHBondContact O-CB 3.28Å; F428-S432 PolarHBondContact O-N 3.39Å; T429-S432 PolarHBondContact O-N 3.13Å; S432-R434 VanDerWaalsContact C-N 3.25Å; S432-R434 PolarHBondContact O-N 2.77Å; S432-Q435 WeakPolarHBondContact O-CG 3.46Å; S432-Q435 PolarHBondContact O-NE2 2.89Å; S432-H478 PolarHBondContact OG-CD2 3.33Å; S432-H478 PolarHBondContact OG-NE2 2.98Å
433	Q	85.9	Confident	89.3	Confident	154 Å²	154	49.8 Å²	49.8	72%	0.72	23%	0.233	S	C	*	.	H	α-helix	trans	-69.3	-18	176	-71.2	173.6	6.7	0	0	114.1	T429 E430 A431	T429-Q433 WeakPolarHBondContact O-CG 3.44Å; T429-Q433 PolarHBondContact O-N 3.34Å; E430-Q433 PolarHBondContact O-N 3.16Å; A431-Q433 VanDerWaalsContact C-N 3.31Å; A431-Q433 PolarHBondContact O-N 2.92Å
434	R	85.5	Confident	89.3	Confident	118 Å²	118	44.4 Å²	44.4	45%	0.445	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	40.2	-175.1	-63.9	-171.7	-173.4	141.6	18.7	113.3	H403 E430 A431 S432 P436	H403-R434 HydrophobicContact CB-CB 4.12Å; H403-R434 PolarHBondContact CE1-NH1 2.8Å; H403-R434 VanDerWaalsContact NE2-CD 3.34Å; H403-R434 WeakPolarHBondContact NE2-CD 3.5Å; H403-R434 PolarHBondContact NE2-NH1 3.04Å; E430-R434 PolarHBondContact O-N 3.28Å; E430-R434 IonicContact OE1-CZ 3.99Å; E430-R434 IonicContact OE1-NH1 2.67Å; E430-R434 PolarHBondContact OE1-NH1 3.43Å; E430-R434 IonicContact OE1-NH2 3.74Å; E430-R434 PolarHBondContact OE1-NH2 3.23Å; A431-R434 PolarHBondContact O-N 3.02Å; S432-R434 VanDerWaalsContact C-N 3.25Å; S432-R434 PolarHBondContact O-N 2.77Å; R434-P436 CarbonylContact O-C 3.59Å
435	Q	81.4	Confident	89.2	Confident	63 Å²	63	45.7 Å²	45.7	29%	0.294	22%	0.22	S	C	.	.	S	Bend	trans	-63.1	142.6	176.9	-75.9	168.6	67.4	0	0	112.3	S432 Q481	S432-Q435 WeakPolarHBondContact O-CG 3.46Å; S432-Q435 PolarHBondContact O-NE2 2.89Å; Q435-Q481 HydrophobicContact CB-CB 4.16Å; Q435-Q481 HydrophobicContact CG-CB 4.13Å
436	P	87.1	Confident	89	Confident	56 Å²	56	42.9 Å²	42.9	36%	0.364	22%	0.218	S	C	.	.	S	Bend	cis	-74.4	135	-3.2	30.7	-34.7	0	0	0	112.5	L362 A402 H403 R434 Q481	L362-P436 HydrophobicContact CD2-CB 4.22Å; A402-P436 WeakPolarHBondContact CA-O 3.27Å; H403-P436 PolarHBondContact N-O 3.32Å; R434-P436 CarbonylContact O-C 3.59Å; P436-Q481 WeakPolarHBondContact CA-O 3.17Å; P436-Q481 HydrophobicContact CB-CB 4.37Å
437	A	88.9	Confident	88.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.6	-171.6	0	0	0	0	0	113.4	H403 A431 Q481 L482 L483	H403-A437 HydrophobicContact CB-CB 4.32Å; H403-A437 VanDerWaalsContact O-CA 3.31Å; H403-A437 WeakPolarHBondContact O-CA 3.48Å; A431-A437 HydrophobicContact CB-CB 4.31Å; A431-A437 VanDerWaalsContact O-CB 3.26Å; A431-A437 WeakPolarHBondContact O-CB 3.2Å; A437-Q481 PolarHBondContact N-O 3.3Å; A437-L482 HydrophobicContact CB-CD1 3.84Å; A437-L482 WeakPolarHBondContact O-CA 3.48Å; A437-L483 PolarHBondContact O-N 3.16Å; A437-L483 VanDerWaalsContact O-N 3.17Å
438	I	91.3	Very high	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.5	179.1	-62.7	178.5	0	0	0	108.5	L362 I396 A397 L400 A402 H403 M404 V405 L483 L485	L362-I438 HydrophobicContact CD1-CD1 4.21Å; L362-I438 HydrophobicContact CD1-CG1 4.35Å; I396-I438 HydrophobicContact CG2-CD1 4Å; A397-I438 HydrophobicContact CB-CD1 4.35Å; L400-I438 HydrophobicContact CD1-CD1 4.27Å; A402-I438 HydrophobicContact CB-CD1 4.02Å; A402-I438 HydrophobicContact CB-CG1 4.09Å; H403-I438 PolarHBondContact O-N 3.45Å; M404-I438 WeakPolarHBondContact CA-O 3.24Å; V405-I438 PolarHBondContact N-O 3.39Å; I438-L483 WeakPolarHBondContact CA-O 3.34Å; I438-L485 HydrophobicContact CG2-CD1 3.7Å; I438-L485 HydrophobicContact CG2-CG 4.35Å
439	I	92.9	Very high	88.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.5	171.6	-58.6	174.8	0	0	0	107.4	I407 F428 A431 I441 L482 L483 V484 L485	I407-I439 HydrophobicContact CD1-CG2 3.72Å; I407-I439 HydrophobicContact CG1-CG2 4.3Å; F428-I439 HydrophobicContact CB-CD1 4.48Å; F428-I439 HydrophobicContact CD1-CD1 3.64Å; F428-I439 HydrophobicContact CD2-CD1 3.87Å; F428-I439 HydrophobicContact CE1-CD1 3.73Å; F428-I439 HydrophobicContact CE2-CD1 3.95Å; F428-I439 HydrophobicContact CE2-CG2 4.38Å; F428-I439 HydrophobicContact CG-CD1 3.73Å; F428-I439 HydrophobicContact CZ-CD1 3.88Å; F428-I439 HydrophobicContact CZ-CG2 4.47Å; A431-I439 HydrophobicContact CB-CD1 3.84Å; A431-I439 HydrophobicContact CB-CG1 3.77Å; I439-I441 HydrophobicContact CG2-CG1 4.07Å; I439-L482 HydrophobicContact CD1-CD1 4.01Å; I439-L482 HydrophobicContact CG1-CD1 4.01Å; I439-L483 PolarHBondContact N-O 3.44Å; I439-V484 CarbonylContact O-C 3.51Å; I439-V484 WeakPolarHBondContact O-CA 3.44Å; I439-L485 PolarHBondContact O-N 3.19Å
440	F	94.4	Very high	87.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.9	175.1	176.8	-108.6	0	0	0	110.4	T390 A393 M404 V405 V406 I407 D442 L485 A487	T390-F440 HydrophobicContact CG2-CE1 3.92Å; T390-F440 HydrophobicContact CG2-CZ 4.39Å; A393-F440 HydrophobicContact CB-CB 4.43Å; A393-F440 HydrophobicContact CB-CD1 4.24Å; A393-F440 HydrophobicContact CB-CD2 3.25Å; A393-F440 HydrophobicContact CB-CE1 4.37Å; A393-F440 HydrophobicContact CB-CE2 3.41Å; A393-F440 VanDerWaalsContact CB-CE2 3.41Å; A393-F440 HydrophobicContact CB-CG 3.7Å; A393-F440 HydrophobicContact CB-CZ 4Å; M404-F440 HydrophobicContact CE-CB 3.5Å; M404-F440 VanDerWaalsContact CE-CB 3.5Å; M404-F440 HydrophobicContact CE-CD1 4.04Å; M404-F440 HydrophobicContact CE-CG 3.79Å; V405-F440 PolarHBondContact O-N 2.89Å; V406-F440 HydrophobicContact CG1-CD1 4.21Å; V406-F440 HydrophobicContact CG2-CD1 4.33Å; I407-F440 PolarHBondContact N-O 2.88Å; F440-D442 HydrophobicContact CD1-CB 4.47Å; F440-D442 HydrophobicContact CE1-CB 3.61Å; F440-D442 WeakPolarHBondContact CE1-OD2 3.45Å; F440-D442 HydrophobicContact CZ-CB 3.96Å; F440-D442 WeakPolarHBondContact CZ-OD2 3.34Å; F440-L485 CarbonylContact C-O 3.54Å; F440-L485 WeakPolarHBondContact CA-O 3.27Å; F440-L485 HydrophobicContact CD2-CB 3.8Å; F440-A487 HydrophobicContact CE2-CB 3.86Å; F440-A487 HydrophobicContact CZ-CB 3.82Å
441	I	93.4	Very high	87	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.6	178	-48.7	-179.7	0	0	0	108.6	I407 I439 L444 L447 L466 V484 L485 G486 A487	I407-I441 HydrophobicContact CB-CG1 4.4Å; I407-I441 HydrophobicContact CD1-CG1 4.28Å; I407-I441 CarbonylContact O-C 3.57Å; I407-I441 WeakPolarHBondContact O-CA 3.42Å; I439-I441 HydrophobicContact CG2-CG1 4.07Å; I441-L444 HydrophobicContact CB-CD1 4.3Å; I441-L444 HydrophobicContact CD1-CD1 4.41Å; I441-L444 HydrophobicContact CG2-CD1 3.74Å; I441-L447 HydrophobicContact CG2-CD1 3.83Å; I441-L466 HydrophobicContact CD1-CD1 4.06Å; I441-L466 HydrophobicContact CD1-CD2 4.36Å; I441-V484 HydrophobicContact CD1-CG1 4.02Å; I441-V484 HydrophobicContact CG1-CG1 4.46Å; I441-L485 PolarHBondContact N-O 2.85Å; I441-G486 CarbonylContact O-C 3.37Å; I441-A487 PolarHBondContact O-N 3.49Å
442	D	92.3	Very high	85.9	Confident	24 Å²	24	49.2 Å²	49.2	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	152.3	173.5	-139.2	-28.4	0	0	0	111.2	T390 I407 G409 F440 L444	T390-D442 WeakPolarHBondContact CB-OD2 3.46Å; T390-D442 WeakPolarHBondContact CG2-OD2 3.36Å; T390-D442 PolarHBondContact OG1-OD2 3.31Å; I407-D442 PolarHBondContact O-N 3.42Å; G409-D442 PolarHBondContact N-O 3.01Å; F440-D442 HydrophobicContact CD1-CB 4.47Å; F440-D442 HydrophobicContact CE1-CB 3.61Å; F440-D442 WeakPolarHBondContact CE1-OD2 3.45Å; F440-D442 HydrophobicContact CZ-CB 3.96Å; F440-D442 WeakPolarHBondContact CZ-OD2 3.34Å; D442-L444 VanDerWaalsContact C-N 3.33Å; D442-L444 PolarHBondContact O-N 3.36Å
443	E	89.9	Confident	84.7	Confident	89 Å²	89	50.9 Å²	50.9	42%	0.416	26%	0.258	S	S	.	.	S	Bend	trans	49.8	47.8	-175.4	-56.9	-168.5	148.7	0	0	113.7	P410 D445 A446 A487	P410-E443 VanDerWaalsContact CD-OE2 3.32Å; P410-E443 WeakPolarHBondContact CD-OE2 3.48Å; P410-E443 VanDerWaalsContact CG-OE2 3.27Å; P410-E443 WeakPolarHBondContact CG-OE2 3.47Å; E443-D445 PolarHBondContact O-N 3.05Å; E443-D445 VanDerWaalsContact O-N 3.09Å; E443-A446 HydrophobicContact CB-CB 4.42Å; E443-A446 VanDerWaalsContact O-CB 3.31Å; E443-A446 WeakPolarHBondContact O-CB 3.3Å; E443-A446 PolarHBondContact O-N 3.1Å; E443-A487 PolarHBondContact N-O 3.37Å
444	L	90.3	Very high	83.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-27.7	-177.7	-174.5	69.4	0	0	0	113.1	L380 I441 D442 A446 L447 C448 L466 A487 L494 F504	L380-L444 HydrophobicContact CD1-CD2 3.88Å; I441-L444 HydrophobicContact CB-CD1 4.3Å; I441-L444 HydrophobicContact CD1-CD1 4.41Å; I441-L444 HydrophobicContact CG2-CD1 3.74Å; D442-L444 VanDerWaalsContact C-N 3.33Å; D442-L444 PolarHBondContact O-N 3.36Å; L444-A446 PolarHBondContact O-N 3.22Å; L444-L447 PolarHBondContact O-N 2.72Å; L444-C448 WeakPolarHBondContact O-CB 3.31Å; L444-C448 PolarHBondContact O-N 2.91Å; L444-L466 HydrophobicContact CD1-CD2 4.1Å; L444-A487 WeakPolarHBondContact CB-O 3.4Å; L444-A487 PolarHBondContact N-O 2.86Å; L444-L494 HydrophobicContact CB-CD1 4.47Å; L444-L494 HydrophobicContact CD2-CD1 3.79Å; L444-L494 HydrophobicContact CD2-CD2 4.1Å; L444-L494 HydrophobicContact CG-CD1 3.74Å; L444-F504 HydrophobicContact CD2-CE2 3.64Å; L444-F504 HydrophobicContact CD2-CZ 3.81Å
445	D	87.8	Confident	82.6	Confident	29 Å²	29	47.2 Å²	47.2	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-17.1	174.5	49.7	-58.4	0	0	0	114.5	E443 T488 A493	E443-D445 PolarHBondContact O-N 3.05Å; E443-D445 VanDerWaalsContact O-N 3.09Å; D445-T488 WeakPolarHBondContact CB-OG1 3.47Å; D445-T488 WeakPolarHBondContact OD1-CA 3.46Å; D445-T488 WeakPolarHBondContact OD1-CB 3.36Å; D445-T488 PolarHBondContact OD1-OG1 3.46Å; D445-A493 HydrophobicContact CB-CB 4.39Å
446	A	85.3	Confident	82.2	Confident	40 Å²	40	48.4 Å²	48.4	33%	0.331	26%	0.256	S	S	.	.	H	α-helix	trans	-77.3	-35.4	170.4	0	0	0	0	0	112.4	E443 L444	E443-A446 HydrophobicContact CB-CB 4.42Å; E443-A446 VanDerWaalsContact O-CB 3.31Å; E443-A446 WeakPolarHBondContact O-CB 3.3Å; E443-A446 PolarHBondContact O-N 3.1Å; L444-A446 PolarHBondContact O-N 3.22Å
447	L	83.6	Confident	81.8	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-82	-32	177	-73.8	172.8	0	0	0	113.2	G409 V412 I413 I441 L444 P449 V462	G409-L447 VanDerWaalsContact O-CD2 3.31Å; G409-L447 WeakPolarHBondContact O-CD2 3.32Å; V412-L447 HydrophobicContact CB-CD2 4.11Å; V412-L447 HydrophobicContact CG2-CD1 4.19Å; V412-L447 HydrophobicContact CG2-CD2 4.11Å; I413-L447 HydrophobicContact CD1-CD2 4.29Å; I413-L447 HydrophobicContact CG1-CD2 3.88Å; I441-L447 HydrophobicContact CG2-CD1 3.83Å; L444-L447 PolarHBondContact O-N 2.72Å; L447-P449 WeakPolarHBondContact O-CD 3.32Å; L447-V462 HydrophobicContact CD2-CG1 4.44Å
448	C	84.5	Confident	81.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.			trans	-128.4	54.7	-165.8	-64.1	0	0	0	0	114.9	L444 V463 L494 D495 L498	L444-C448 WeakPolarHBondContact O-CB 3.31Å; L444-C448 PolarHBondContact O-N 2.91Å; C448-V463 HydrophobicContact CB-CG2 3.91Å; C448-L494 HydrophobicContact CB-CD1 3.73Å; C448-L494 WeakPolarHBondContact O-CA 3.47Å; C448-D495 PolarHBondContact O-N 2.9Å; C448-D495 VanDerWaalsContact O-N 3.09Å; C448-L498 HydrophobicContact CB-CD1 3.45Å; C448-L498 VanDerWaalsContact CB-CD1 3.45Å
449	P	84.6	Confident	80.9	Confident	27 Å²	27	58.4 Å²	58.4	18%	0.175	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-63.9	154.6	174.1	29	-35.6	0	0	0	112.2	L447 R451 A454 E459 A493	L447-P449 WeakPolarHBondContact O-CD 3.32Å; P449-R451 PolarHBondContact O-N 3.31Å; P449-A454 HydrophobicContact CB-CB 4.47Å; P449-A454 HydrophobicContact CG-CB 3.97Å; P449-E459 HydrophobicContact CG-CB 4.46Å; P449-A493 CarbonylContact C-O 3.56Å
450	K	82.6	Confident	80.5	Confident	81 Å²	81	62.6 Å²	62.6	35%	0.352	32%	0.319	S	S	.	.			trans	-52.3	132.2	171.3	-84.1	174.3	170.8	173.3	0	112.2	E452 G453 A454 Q492 A493 L494	K450-E452 PolarHBondContact O-N 3.28Å; K450-G453 PolarHBondContact O-N 3.12Å; K450-A454 PolarHBondContact O-N 3.23Å; K450-Q492 WeakPolarHBondContact CE-O 3.45Å; K450-Q492 PolarHBondContact NZ-O 3.38Å; K450-A493 WeakPolarHBondContact CG-O 3.43Å; K450-A493 PolarHBondContact N-O 3.1Å; K450-L494 WeakPolarHBondContact CG-O 3.34Å
451	R	72.1	Confident	80.1	Confident	126 Å²	126	70.3 Å²	70.3	48%	0.475	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.7	-176.5	-57.6	-179.6	-170.2	-152.6	-5.3	114.8	P449 K460 D495	P449-R451 PolarHBondContact O-N 3.31Å; R451-K460 WeakPolarHBondContact O-CE 3.49Å; R451-K460 PolarHBondContact O-NZ 2.84Å; R451-D495 IonicContact CZ-OD2 3.48Å; R451-D495 VanDerWaalsContact CZ-OD2 3.28Å; R451-D495 IonicContact NE-OD1 2.85Å; R451-D495 IonicContact NE-OD2 3.81Å; R451-D495 PolarHBondContact NE-OD2 3.44Å; R451-D495 IonicContact NH2-OD2 3.56Å; R451-D495 PolarHBondContact NH2-OD2 2.67Å
452	E	65.6	Low	79.8	Confident	196 Å²	196	70.8 Å²	70.8	92%	0.916	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-26.9	177.1	-64.2	174.3	165.2	0	0	112.9	K450	K450-E452 PolarHBondContact O-N 3.28Å
453	G	59.4	Low	79.6	Confident	61 Å²	61	69.8 Å²	69.8	63%	0.629	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-20.3	179.5	0	0	0	0	0	114.6	K450 Q455	K450-G453 PolarHBondContact O-N 3.12Å; G453-Q455 PolarHBondContact O-N 3.31Å
454	A	62.8	Low	79.5	Confident	8 Å²	8	67.6 Å²	67.6	7%	0.066	34%	0.343	C	S	.	.			trans	-71	115.5	179	0	0	0	0	0	111.4	P449 K450 K460	P449-A454 HydrophobicContact CB-CB 4.47Å; P449-A454 HydrophobicContact CG-CB 3.97Å; K450-A454 PolarHBondContact O-N 3.23Å; A454-K460 HydrophobicContact CB-CG 4.25Å; A454-K460 WeakPolarHBondContact O-CE 3.41Å; A454-K460 PolarHBondContact O-NZ 3.34Å
455	Q	64.3	Low	79.5	Confident	187 Å²	187	67.8 Å²	67.8	87%	0.874	35%	0.345	S	S	*	.			trans	-74.9	-28.2	176.7	-67.8	-173	-12.2	0	0	112.3	G453	G453-Q455 PolarHBondContact O-N 3.31Å
456	N	73.6	Confident	79.6	Confident	88 Å²	88	66.5 Å²	66.5	47%	0.471	34%	0.338	S	S	.	.			trans	-94.3	131.3	-175.7	-63.5	-42.8	0	0	0	112.3	V458 E459	N456-V458 PolarHBondContact O-N 3Å; N456-E459 HydrophobicContact CB-CG 4.14Å; N456-E459 WeakPolarHBondContact CB-OE1 3.38Å; N456-E459 PolarHBondContact ND2-OE1 3.45Å; N456-E459 PolarHBondContact O-N 3.24Å
457	E	79	Confident	79.8	Confident	169 Å²	169	65 Å²	65	79%	0.79	32%	0.324	S	S	*	.	H	α-helix	trans	-65.9	-28.2	171.3	-63.4	-169.7	155	0	0	112.6	K460 R461	E457-K460 PolarHBondContact O-N 2.92Å; E457-R461 PolarHBondContact O-N 3.05Å
458	V	81.1	Confident	80	Confident	51 Å²	51	68.8 Å²	68.8	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-47.8	177.9	-176.7	0	0	0	0	110.9	Y417 N456 K460 R461 V462	Y417-V458 HydrophobicContact CD1-CG2 3.82Å; Y417-V458 HydrophobicContact CE1-CG2 3.54Å; N456-V458 PolarHBondContact O-N 3Å; V458-K460 VanDerWaalsContact C-N 3.33Å; V458-K460 PolarHBondContact O-N 3.31Å; V458-R461 PolarHBondContact O-N 3.44Å; V458-V462 HydrophobicContact CG1-CG2 4.49Å; V458-V462 WeakPolarHBondContact O-CG2 3.07Å; V458-V462 PolarHBondContact O-N 2.75Å
459	E	80.2	Confident	80.2	Confident	47 Å²	47	70.2 Å²	70.2	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-44.4	176.3	-70.1	158.7	-152	0	0	111.2	P449 N456 R461 V462 V463	P449-E459 HydrophobicContact CG-CB 4.46Å; N456-E459 HydrophobicContact CB-CG 4.14Å; N456-E459 WeakPolarHBondContact CB-OE1 3.38Å; N456-E459 PolarHBondContact ND2-OE1 3.45Å; N456-E459 PolarHBondContact O-N 3.24Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.06Å; E459-V462 PolarHBondContact O-N 3.33Å; E459-V462 VanDerWaalsContact O-N 3.16Å; E459-V463 WeakPolarHBondContact O-CG2 3.4Å; E459-V463 PolarHBondContact O-N 3.37Å
460	K	84.5	Confident	80.3	Confident	87 Å²	87	69 Å²	69	38%	0.378	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-36.8	178.4	-60.9	180	-168.7	-177.2	0	112	R451 A454 E457 V458 A464	R451-K460 WeakPolarHBondContact O-CE 3.49Å; R451-K460 PolarHBondContact O-NZ 2.84Å; A454-K460 HydrophobicContact CB-CG 4.25Å; A454-K460 WeakPolarHBondContact O-CE 3.41Å; A454-K460 PolarHBondContact O-NZ 3.34Å; E457-K460 PolarHBondContact O-N 2.92Å; V458-K460 VanDerWaalsContact C-N 3.33Å; V458-K460 PolarHBondContact O-N 3.31Å; K460-A464 PolarHBondContact O-N 3.36Å; K460-A464 VanDerWaalsContact O-N 3.15Å
461	R	84.4	Confident	80.4	Confident	162 Å²	162	68.3 Å²	68.3	61%	0.611	35%	0.347	S	S	*	.	H	α-helix	trans	-69.5	-42.4	172.8	-180	176.5	-76.3	-179.9	-3.1	112	E421 E457 V458 E459 V463 A464 S465	E421-R461 WeakPolarHBondContact OE2-CD 3.49Å; E457-R461 PolarHBondContact O-N 3.05Å; V458-R461 PolarHBondContact O-N 3.44Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.06Å; R461-V463 VanDerWaalsContact C-N 3.35Å; R461-V463 PolarHBondContact O-N 3.16Å; R461-A464 PolarHBondContact O-N 3.12Å; R461-S465 PolarHBondContact O-N 3.01Å
462	V	87.6	Confident	80.8	Confident	10 Å²	10	64 Å²	64	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-44.2	177.4	171.1	0	0	0	0	111	T420 L424 L447 V458 E459 A464 S465 L466	T420-V462 HydrophobicContact CG2-CB 4.5Å; T420-V462 HydrophobicContact CG2-CG1 4.04Å; T420-V462 HydrophobicContact CG2-CG2 3.57Å; L424-V462 HydrophobicContact CD1-CG1 3.9Å; L447-V462 HydrophobicContact CD2-CG1 4.44Å; V458-V462 HydrophobicContact CG1-CG2 4.49Å; V458-V462 WeakPolarHBondContact O-CG2 3.07Å; V458-V462 PolarHBondContact O-N 2.75Å; E459-V462 PolarHBondContact O-N 3.33Å; E459-V462 VanDerWaalsContact O-N 3.16Å; V462-A464 PolarHBondContact O-N 3.27Å; V462-S465 PolarHBondContact O-N 2.99Å; V462-L466 PolarHBondContact O-N 2.71Å
463	V	88.3	Confident	81.2	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.024	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-51.9	171.4	174.2	0	0	0	0	110.9	C448 E459 R461 S465 L466 L467 D495	C448-V463 HydrophobicContact CB-CG2 3.91Å; E459-V463 WeakPolarHBondContact O-CG2 3.4Å; E459-V463 PolarHBondContact O-N 3.37Å; R461-V463 VanDerWaalsContact C-N 3.35Å; R461-V463 PolarHBondContact O-N 3.16Å; V463-S465 VanDerWaalsContact C-N 3.29Å; V463-S465 PolarHBondContact O-N 2.91Å; V463-L466 PolarHBondContact O-N 2.86Å; V463-L467 HydrophobicContact CG1-CD1 3.97Å; V463-L467 HydrophobicContact CG1-CG 4.31Å; V463-L467 VanDerWaalsContact O-CG 3.25Å; V463-L467 WeakPolarHBondContact O-CG 3.4Å; V463-L467 PolarHBondContact O-N 3.48Å; V463-D495 HydrophobicContact CG1-CB 4.29Å; V463-D495 WeakPolarHBondContact CG1-OD2 3.39Å
464	A	88.4	Confident	81.2	Confident	43 Å²	43	54.7 Å²	54.7	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-37.7	-179.9	0	0	0	0	0	112.8	K460 R461 V462 T468	K460-A464 PolarHBondContact O-N 3.36Å; K460-A464 VanDerWaalsContact O-N 3.15Å; R461-A464 PolarHBondContact O-N 3.12Å; V462-A464 PolarHBondContact O-N 3.27Å; A464-T468 WeakPolarHBondContact O-CB 3.4Å; A464-T468 PolarHBondContact O-N 2.96Å; A464-T468 PolarHBondContact O-OG1 3.06Å
465	S	89	Confident	81.1	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-44.4	175.8	-171.8	0	0	0	0	112	E421 R425 R461 V462 V463 L467 T468 L469	E421-S465 WeakPolarHBondContact CG-OG 2.96Å; E421-S465 PolarHBondContact OE1-OG 3.08Å; R425-S465 PolarHBondContact NH2-OG 3.02Å; R461-S465 PolarHBondContact O-N 3.01Å; V462-S465 PolarHBondContact O-N 2.99Å; V463-S465 VanDerWaalsContact C-N 3.29Å; V463-S465 PolarHBondContact O-N 2.91Å; S465-L467 VanDerWaalsContact C-N 3.35Å; S465-L467 PolarHBondContact O-N 2.76Å; S465-T468 PolarHBondContact O-N 3.45Å; S465-L469 WeakPolarHBondContact O-CG 3.45Å; S465-L469 PolarHBondContact O-N 3.02Å
466	L	90.2	Very high	80.5	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-42.8	176.8	-178.3	64.3	0	0	0	111.4	F428 I441 L444 V462 V463 T468 L469 M470 L498	F428-L466 HydrophobicContact CE2-CD1 4Å; F428-L466 HydrophobicContact CZ-CD1 3.68Å; I441-L466 HydrophobicContact CD1-CD1 4.06Å; I441-L466 HydrophobicContact CD1-CD2 4.36Å; L444-L466 HydrophobicContact CD1-CD2 4.1Å; V462-L466 PolarHBondContact O-N 2.71Å; V463-L466 PolarHBondContact O-N 2.86Å; L466-T468 VanDerWaalsContact C-N 3.34Å; L466-T468 PolarHBondContact O-N 2.85Å; L466-L469 PolarHBondContact O-N 2.94Å; L466-M470 HydrophobicContact CG-SD 4.42Å; L466-M470 WeakPolarHBondContact O-CG 3.39Å; L466-M470 PolarHBondContact O-N 3.48Å; L466-L498 HydrophobicContact CD2-CD2 4.41Å
467	L	89.4	Confident	79.5	Confident	9 Å²	9	57.1 Å²	57.1	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-58.7	-45.5	174.3	-68.4	177.6	0	0	0	111.8	V463 S465 L469 M470 D471 A497 L498	V463-L467 HydrophobicContact CG1-CD1 3.97Å; V463-L467 HydrophobicContact CG1-CG 4.31Å; V463-L467 VanDerWaalsContact O-CG 3.25Å; V463-L467 WeakPolarHBondContact O-CG 3.4Å; V463-L467 PolarHBondContact O-N 3.48Å; S465-L467 VanDerWaalsContact C-N 3.35Å; S465-L467 PolarHBondContact O-N 2.76Å; L467-L469 VanDerWaalsContact C-N 3.32Å; L467-L469 PolarHBondContact O-N 3.07Å; L467-M470 PolarHBondContact O-N 3.15Å; L467-D471 WeakPolarHBondContact O-CB 3.46Å; L467-D471 PolarHBondContact O-N 2.79Å; L467-A497 HydrophobicContact CD1-CB 3.91Å; L467-L498 HydrophobicContact CD2-CD2 3.35Å; L467-L498 HydrophobicContact CD2-CG 3.73Å; L467-L498 HydrophobicContact CG-CD2 4.32Å
468	T	89.1	Confident	78.4	Confident	84 Å²	84	51.5 Å²	51.5	52%	0.515	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-38.3	178	-52.4	0	0	0	0	111.6	A464 S465 L466 G472	A464-T468 WeakPolarHBondContact O-CB 3.4Å; A464-T468 PolarHBondContact O-N 2.96Å; A464-T468 PolarHBondContact O-OG1 3.06Å; S465-T468 PolarHBondContact O-N 3.45Å; L466-T468 VanDerWaalsContact C-N 3.34Å; L466-T468 PolarHBondContact O-N 2.85Å; T468-G472 PolarHBondContact O-N 3.38Å
469	L	88.8	Confident	77.3	Confident	29 Å²	29	52.5 Å²	52.5	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-47.2	175.2	-74.1	170	0	0	0	111.7	L424 R425 F428 S465 L466 L467 D471 G472 I473	L424-L469 HydrophobicContact CB-CD1 4.16Å; R425-L469 HydrophobicContact CG-CD1 4.15Å; R425-L469 HydrophobicContact CG-CD2 4.22Å; F428-L469 HydrophobicContact CB-CD2 4.24Å; F428-L469 HydrophobicContact CD1-CB 3.98Å; F428-L469 HydrophobicContact CD2-CD1 4.03Å; F428-L469 HydrophobicContact CE1-CB 4.07Å; F428-L469 HydrophobicContact CE2-CD1 4.37Å; F428-L469 HydrophobicContact CG-CB 4.33Å; F428-L469 HydrophobicContact CG-CD1 4.15Å; F428-L469 HydrophobicContact CG-CD2 4.45Å; S465-L469 WeakPolarHBondContact O-CG 3.45Å; S465-L469 PolarHBondContact O-N 3.02Å; L466-L469 PolarHBondContact O-N 2.94Å; L467-L469 VanDerWaalsContact C-N 3.32Å; L467-L469 PolarHBondContact O-N 3.07Å; L469-D471 VanDerWaalsContact C-N 3.34Å; L469-D471 PolarHBondContact O-N 3.36Å; L469-G472 PolarHBondContact O-N 2.86Å; L469-G472 VanDerWaalsContact O-N 3.15Å; L469-I473 WeakPolarHBondContact O-CG1 3.28Å; L469-I473 PolarHBondContact O-N 2.96Å
470	M	86.8	Confident	76.4	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-39.3	177.5	-68.9	-178.5	78	0	0	112.7	R377 L466 L467 G472 V484 L498 R503 F504	R377-M470 PolarHBondContact NH1-O 2.93Å; L466-M470 HydrophobicContact CG-SD 4.42Å; L466-M470 WeakPolarHBondContact O-CG 3.39Å; L466-M470 PolarHBondContact O-N 3.48Å; L467-M470 PolarHBondContact O-N 3.15Å; M470-G472 VanDerWaalsContact C-N 3.3Å; M470-G472 PolarHBondContact O-N 2.81Å; M470-V484 HydrophobicContact CE-CB 4.28Å; M470-V484 HydrophobicContact CE-CG1 4.33Å; M470-L498 HydrophobicContact SD-CD2 3.98Å; M470-R503 HydrophobicContact CB-CG 4.46Å; M470-R503 HydrophobicContact CE-CB 3.95Å; M470-F504 HydrophobicContact CE-CD1 4.27Å; M470-F504 HydrophobicContact CE-CD2 4.14Å; M470-F504 HydrophobicContact CE-CE1 4.06Å; M470-F504 HydrophobicContact CE-CE2 3.93Å; M470-F504 HydrophobicContact CE-CG 4.31Å; M470-F504 HydrophobicContact CE-CZ 3.88Å; M470-F504 HydrophobicContact SD-CE2 4.23Å; M470-F504 HydrophobicContact SD-CZ 4.39Å
471	D	84.4	Confident	75.9	Confident	67 Å²	67	49.9 Å²	49.9	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-32.9	176.1	-65.8	-12.6	0	0	0	111.4	R377 L467 L469 R503	R377-D471 VanDerWaalsContact NH1-C 3.27Å; R377-D471 PolarHBondContact NH1-O 3.15Å; L467-D471 WeakPolarHBondContact O-CB 3.46Å; L467-D471 PolarHBondContact O-N 2.79Å; L469-D471 VanDerWaalsContact C-N 3.34Å; L469-D471 PolarHBondContact O-N 3.36Å; D471-R503 WeakPolarHBondContact OD1-CG 3.3Å; D471-R503 IonicContact OD1-CZ 2.75Å; D471-R503 IonicContact OD1-NE 3.12Å; D471-R503 PolarHBondContact OD1-NE 3.02Å; D471-R503 IonicContact OD1-NH2 3.22Å; D471-R503 PolarHBondContact OD1-NH2 3.24Å; D471-R503 IonicContact OD2-CZ 3.47Å; D471-R503 IonicContact OD2-NE 3.98Å; D471-R503 IonicContact OD2-NH2 3.99Å; D471-R503 PolarHBondContact OD2-NH2 2.94Å
472	G	79.2	Confident	76	Confident	35 Å²	35	42.6 Å²	42.6	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-69.1	-30	178.5	0	0	0	0	0	115.7	T468 L469 M470 G474 S475	T468-G472 PolarHBondContact O-N 3.38Å; L469-G472 PolarHBondContact O-N 2.86Å; L469-G472 VanDerWaalsContact O-N 3.15Å; M470-G472 VanDerWaalsContact C-N 3.3Å; M470-G472 PolarHBondContact O-N 2.81Å; G472-G474 PolarHBondContact O-N 3.31Å; G472-S475 PolarHBondContact O-N 3.21Å
473	I	73.8	Confident	76.1	Confident	18 Å²	18	42.5 Å²	42.5	9%	0.092	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31	-172.4	-68.3	172	0	0	0	113.8	F428 L469 H478 L482 V484	F428-I473 HydrophobicContact CD1-CD1 4.18Å; F428-I473 HydrophobicContact CE1-CD1 3.97Å; L469-I473 WeakPolarHBondContact O-CG1 3.28Å; L469-I473 PolarHBondContact O-N 2.96Å; I473-H478 WeakPolarHBondContact O-CB 3.32Å; I473-L482 HydrophobicContact CD1-CD2 4.07Å; I473-L482 HydrophobicContact CD1-CG 4.4Å; I473-L482 HydrophobicContact CG1-CD2 4.05Å; I473-L482 HydrophobicContact CG2-CB 4.24Å; I473-L482 HydrophobicContact CG2-CD2 4.26Å; I473-L482 HydrophobicContact CG2-CG 4.44Å; I473-V484 HydrophobicContact CD1-CG2 3.84Å
474	G	59.8	Low	76.3	Confident	44 Å²	44	42.3 Å²	42.3	45%	0.454	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	21.5	179.7	0	0	0	0	0	115.3	R377 G472	R377-G474 VanDerWaalsContact NH2-CA 3.34Å; G472-G474 PolarHBondContact O-N 3.31Å
475	S	60.8	Low	76.5	Confident	103 Å²	103	40.3 Å²	40.3	72%	0.72	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-24.4	176.2	-173.6	0	0	0	0	113.6	G472	G472-S475 PolarHBondContact O-N 3.21Å
476	E	52.7	Low	76.7	Confident	144 Å²	144	40.1 Å²	40.1	67%	0.673	27%	0.267	S	S	*	.	S	Bend	trans	-112.9	163	174	-63	-176.2	174.4	0	0	108.3	H478	E476-H478 PolarHBondContact O-N 3.43Å; E476-H478 PolarHBondContact O-ND1 2.8Å; E476-H478 VanDerWaalsContact O-ND1 3.15Å; E476-H478 IonicContact OE2-CE1 3.95Å
477	G	51.5	Low	76.9	Confident	86 Å²	86	40.1 Å²	40.1	89%	0.887	27%	0.267	S	S	*	.	S	Bend	trans	-64.2	33	-165.9	0	0	0	0	0	118.8	S479	G477-S479 PolarHBondContact O-N 2.83Å
478	H	57.2	Low	77	Confident	51 Å²	51	39.7 Å²	39.7	24%	0.236	27%	0.265	C	S	.	.			trans	-69.4	117.2	168.5	-53.7	79.8	0	0	0	109.1	S432 I473 E476 G480	S432-H478 PolarHBondContact OG-CD2 3.33Å; S432-H478 PolarHBondContact OG-NE2 2.98Å; I473-H478 WeakPolarHBondContact O-CB 3.32Å; E476-H478 PolarHBondContact O-N 3.43Å; E476-H478 PolarHBondContact O-ND1 2.8Å; E476-H478 VanDerWaalsContact O-ND1 3.15Å; E476-H478 IonicContact OE2-CE1 3.95Å; H478-G480 PolarHBondContact O-N 2.56Å
479	S	56.6	Low	76.9	Confident	73 Å²	73	38.1 Å²	38.1	51%	0.51	25%	0.254	S	S	.	.			trans	-74.8	35.7	-171.7	-46.1	0	0	0	0	114.6	G477 Q481	G477-S479 PolarHBondContact O-N 2.83Å; S479-Q481 PolarHBondContact O-N 3.08Å
480	G	61	Low	76.7	Confident	23 Å²	23	43.6 Å²	43.6	24%	0.237	27%	0.272	C	S	.	.	S	Bend	trans	69.7	14.4	-175.9	0	0	0	0	0	115.1	H478 L482	H478-G480 PolarHBondContact O-N 2.56Å; G480-L482 VanDerWaalsContact C-N 3.32Å; G480-L482 PolarHBondContact O-N 3.25Å
481	Q	75.6	Confident	76.6	Confident	56 Å²	56	44.6 Å²	44.6	26%	0.262	28%	0.279	S	S	.	.			trans	-90.2	8.9	-172.7	-55.9	-177.8	10.2	0	0	114.3	L362 Q435 P436 A437 S479	L362-Q481 HydrophobicContact CD2-CB 4.44Å; Q435-Q481 HydrophobicContact CB-CB 4.16Å; Q435-Q481 HydrophobicContact CG-CB 4.13Å; P436-Q481 WeakPolarHBondContact CA-O 3.17Å; P436-Q481 HydrophobicContact CB-CB 4.37Å; A437-Q481 PolarHBondContact N-O 3.3Å; S479-Q481 PolarHBondContact O-N 3.08Å
482	L	86.1	Confident	76.5	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117	173.9	179.9	64.4	0	0	0	109.1	A431 A437 I439 I473 G480	A431-L482 HydrophobicContact CB-CD1 3.75Å; A437-L482 HydrophobicContact CB-CD1 3.84Å; A437-L482 WeakPolarHBondContact O-CA 3.48Å; I439-L482 HydrophobicContact CD1-CD1 4.01Å; I439-L482 HydrophobicContact CG1-CD1 4.01Å; I473-L482 HydrophobicContact CD1-CD2 4.07Å; I473-L482 HydrophobicContact CD1-CG 4.4Å; I473-L482 HydrophobicContact CG1-CD2 4.05Å; I473-L482 HydrophobicContact CG2-CB 4.24Å; I473-L482 HydrophobicContact CG2-CD2 4.26Å; I473-L482 HydrophobicContact CG2-CG 4.44Å; G480-L482 VanDerWaalsContact C-N 3.32Å; G480-L482 PolarHBondContact O-N 3.25Å
483	L	89	Confident	76.7	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140	-179.5	-175.1	75.3	0	0	0	111.5	I358 P376 A437 I438 I439	I358-L483 HydrophobicContact CB-CD2 4.01Å; I358-L483 HydrophobicContact CD1-CD2 3.66Å; I358-L483 HydrophobicContact CG1-CD2 3.56Å; I358-L483 HydrophobicContact CG2-CD2 3.5Å; P376-L483 VanDerWaalsContact O-CD1 3.23Å; P376-L483 WeakPolarHBondContact O-CD1 3.34Å; A437-L483 PolarHBondContact O-N 3.16Å; A437-L483 VanDerWaalsContact O-N 3.17Å; I438-L483 WeakPolarHBondContact CA-O 3.34Å; I439-L483 PolarHBondContact N-O 3.44Å
484	V	91.9	Very high	77.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.8	172.3	-174	0	0	0	0	111	R377 G378 V379 F428 I439 I441 M470 I473 F504	R377-V484 PolarHBondContact O-N 2.97Å; R377-V484 VanDerWaalsContact O-N 3.08Å; G378-V484 CarbonylContact C-O 3.58Å; G378-V484 WeakPolarHBondContact CA-O 3.05Å; V379-V484 PolarHBondContact N-O 2.94Å; F428-V484 HydrophobicContact CE1-CG2 4.04Å; F428-V484 HydrophobicContact CZ-CG2 4.33Å; I439-V484 CarbonylContact O-C 3.51Å; I439-V484 WeakPolarHBondContact O-CA 3.44Å; I441-V484 HydrophobicContact CD1-CG1 4.02Å; I441-V484 HydrophobicContact CG1-CG1 4.46Å; M470-V484 HydrophobicContact CE-CB 4.28Å; M470-V484 HydrophobicContact CE-CG1 4.33Å; I473-V484 HydrophobicContact CD1-CG2 3.84Å; V484-F504 HydrophobicContact CG1-CE1 4.15Å; V484-F504 HydrophobicContact CG1-CZ 4.2Å
485	L	93	Very high	78.7	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.2	167.9	-82.9	165.6	0	0	0	109.7	I358 V379 L381 A393 I396 I438 I439 F440 I441	I358-L485 HydrophobicContact CD1-CD1 4.37Å; I358-L485 HydrophobicContact CD1-CD2 3.82Å; I358-L485 HydrophobicContact CD1-CG 4.32Å; V379-L485 HydrophobicContact CB-CD2 3.88Å; V379-L485 HydrophobicContact CG1-CD2 4.4Å; V379-L485 WeakPolarHBondContact O-CA 3.47Å; L381-L485 HydrophobicContact CG-CD2 4.46Å; A393-L485 HydrophobicContact CB-CD1 4.22Å; I396-L485 HydrophobicContact CD1-CD1 4.21Å; I438-L485 HydrophobicContact CG2-CD1 3.7Å; I438-L485 HydrophobicContact CG2-CG 4.35Å; I439-L485 PolarHBondContact O-N 3.19Å; F440-L485 CarbonylContact C-O 3.54Å; F440-L485 WeakPolarHBondContact CA-O 3.27Å; F440-L485 HydrophobicContact CD2-CB 3.8Å; I441-L485 PolarHBondContact N-O 2.85Å
486	G	93.9	Very high	80	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142	170.6	0	0	0	0	0	111.2	V379 L381 I441	V379-G486 PolarHBondContact O-N 3.45Å; L381-G486 PolarHBondContact N-O 2.93Å; I441-G486 CarbonylContact O-C 3.37Å
487	A	94.3	Very high	81.7	Confident	1 Å²	1	33 Å²	33	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.9	167.2	0	0	0	0	0	111.1	L381 K389 F440 I441 E443 L444	L381-A487 WeakPolarHBondContact O-CA 3.41Å; K389-A487 HydrophobicContact CB-CB 4.27Å; K389-A487 HydrophobicContact CD-CB 4.4Å; F440-A487 HydrophobicContact CE2-CB 3.86Å; F440-A487 HydrophobicContact CZ-CB 3.82Å; I441-A487 PolarHBondContact O-N 3.49Å; E443-A487 PolarHBondContact N-O 3.37Å; L444-A487 WeakPolarHBondContact CB-O 3.4Å; L444-A487 PolarHBondContact N-O 2.86Å
488	T	91.1	Very high	83.4	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.3	175.2	-178.6	0	0	0	0	112	L380 L381 Y382 G383 D445 R490 P491	L380-T488 HydrophobicContact CD1-CG2 3.94Å; L380-T488 HydrophobicContact CG-CG2 4.36Å; L381-T488 PolarHBondContact O-N 3.19Å; Y382-T488 VanDerWaalsContact CA-O 3.28Å; Y382-T488 WeakPolarHBondContact CA-O 3.33Å; G383-T488 PolarHBondContact N-O 2.71Å; D445-T488 WeakPolarHBondContact CB-OG1 3.47Å; D445-T488 WeakPolarHBondContact OD1-CA 3.46Å; D445-T488 WeakPolarHBondContact OD1-CB 3.36Å; D445-T488 PolarHBondContact OD1-OG1 3.46Å; T488-R490 PolarHBondContact OG1-N 2.63Å; T488-P491 HydrophobicContact CG2-CB 4.33Å
489	N	87.9	Confident	84.9	Confident	51 Å²	51	31.5 Å²	31.5	27%	0.273	17%	0.168	S	C	.	.	S	Bend	trans	-91.1	-12.4	170.1	-59.8	-49.6	0	0	0	112	G383 K389	G383-N489 WeakPolarHBondContact O-CA 3.48Å; G383-N489 PolarHBondContact O-OD1 2.74Å; K389-N489 WeakPolarHBondContact CE-OD1 3.5Å
490	R	83.9	Confident	86.4	Confident	144 Å²	144	35.6 Å²	35.6	54%	0.543	17%	0.172	S	C	.	.			trans	-138.2	72.4	-170.4	-56.6	-179.8	-168.7	172.5	8.5	111.4	T488 Q492 A493	T488-R490 PolarHBondContact OG1-N 2.63Å; R490-Q492 VanDerWaalsContact C-OE1 3.27Å; R490-Q492 PolarHBondContact O-N 2.89Å; R490-A493 HydrophobicContact CB-CB 3.83Å; R490-A493 WeakPolarHBondContact O-CB 3.25Å; R490-A493 PolarHBondContact O-N 3.37Å
491	P	85.4	Confident	87.5	Confident	22 Å²	22	40.3 Å²	40.3	14%	0.143	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.2	-179.6	26.1	-36.2	0	0	0	113.5	Y382 T488	Y382-P491 HydrophobicContact CD2-CG 3.81Å; Y382-P491 HydrophobicContact CE2-CG 4.45Å; Y382-P491 HydrophobicContact CG-CB 4.29Å; Y382-P491 HydrophobicContact CG-CG 4.04Å; T488-P491 HydrophobicContact CG2-CB 4.33Å
492	Q	81.9	Confident	87.6	Confident	49 Å²	49	39 Å²	39	23%	0.229	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.6	174.3	79.5	-69.1	-8.2	0	0	115	K450 R490	K450-Q492 WeakPolarHBondContact CE-O 3.45Å; K450-Q492 PolarHBondContact NZ-O 3.38Å; R490-Q492 VanDerWaalsContact C-OE1 3.27Å; R490-Q492 PolarHBondContact O-N 2.89Å
493	A	83.4	Confident	87.7	Confident	28 Å²	28	40.6 Å²	40.6	23%	0.231	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-20.9	175.6	0	0	0	0	0	112.7	D445 P449 K450 R490	D445-A493 HydrophobicContact CB-CB 4.39Å; P449-A493 CarbonylContact C-O 3.56Å; K450-A493 WeakPolarHBondContact CG-O 3.43Å; K450-A493 PolarHBondContact N-O 3.1Å; R490-A493 HydrophobicContact CB-CB 3.83Å; R490-A493 WeakPolarHBondContact O-CB 3.25Å; R490-A493 PolarHBondContact O-N 3.37Å
494	L	87.8	Confident	87.7	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-67.8	148.1	-179.7	-162.8	70.3	0	0	0	112.7	L380 L444 C448 K450 P496 L498 R499	L380-L494 HydrophobicContact CD1-CD2 4.48Å; L380-L494 HydrophobicContact CD2-CD2 3.9Å; L444-L494 HydrophobicContact CB-CD1 4.47Å; L444-L494 HydrophobicContact CD2-CD1 3.79Å; L444-L494 HydrophobicContact CD2-CD2 4.1Å; L444-L494 HydrophobicContact CG-CD1 3.74Å; C448-L494 HydrophobicContact CB-CD1 3.73Å; C448-L494 WeakPolarHBondContact O-CA 3.47Å; K450-L494 WeakPolarHBondContact CG-O 3.34Å; L494-P496 WeakPolarHBondContact O-CD 3.37Å; L494-L498 HydrophobicContact CD1-CD1 3.7Å; L494-L498 HydrophobicContact CD2-CB 4.15Å; L494-L498 HydrophobicContact CD2-CD1 4.27Å; L494-L498 HydrophobicContact CG-CB 4.42Å; L494-L498 HydrophobicContact CG-CD1 3.88Å; L494-R499 HydrophobicContact CD2-CG 4.12Å
495	D	88.3	Confident	87.5	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.053	22%	0.219	C	C	.	.			trans	-58.2	120	168.3	-174.5	-6.3	0	0	0	110.6	C448 R451 V463 A497 L498	C448-D495 PolarHBondContact O-N 2.9Å; C448-D495 VanDerWaalsContact O-N 3.09Å; R451-D495 IonicContact CZ-OD2 3.48Å; R451-D495 VanDerWaalsContact CZ-OD2 3.28Å; R451-D495 IonicContact NE-OD1 2.85Å; R451-D495 IonicContact NE-OD2 3.81Å; R451-D495 PolarHBondContact NE-OD2 3.44Å; R451-D495 IonicContact NH2-OD2 3.56Å; R451-D495 PolarHBondContact NH2-OD2 2.67Å; V463-D495 HydrophobicContact CG1-CB 4.29Å; V463-D495 WeakPolarHBondContact CG1-OD2 3.39Å; D495-A497 PolarHBondContact O-N 2.89Å; D495-A497 WeakPolarHBondContact OD1-CB 3.42Å; D495-A497 PolarHBondContact OD1-N 3.43Å; D495-L498 HydrophobicContact CB-CD1 4.46Å; D495-L498 PolarHBondContact O-N 3.29Å
496	P	87.1	Confident	87.2	Confident	69 Å²	69	48.3 Å²	48.3	45%	0.448	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-17.8	174.6	-25.6	35.3	0	0	0	114.5	L494 L498 R499	L494-P496 WeakPolarHBondContact O-CD 3.37Å; P496-L498 VanDerWaalsContact C-N 3.27Å; P496-L498 PolarHBondContact O-N 2.97Å; P496-R499 PolarHBondContact O-N 2.76Å
497	A	88.1	Confident	87	Confident	10 Å²	10	51.1 Å²	51.1	8%	0.083	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.6	173.9	0	0	0	0	0	113.7	L467 D495 R503	L467-A497 HydrophobicContact CD1-CB 3.91Å; D495-A497 PolarHBondContact O-N 2.89Å; D495-A497 WeakPolarHBondContact OD1-CB 3.42Å; D495-A497 PolarHBondContact OD1-N 3.43Å; A497-R503 VanDerWaalsContact O-CD 3.32Å; A497-R503 WeakPolarHBondContact O-CD 3.49Å; A497-R503 PolarHBondContact O-NH1 3.5Å
498	L	87.9	Confident	86.8	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-34	176.6	-75.5	162.5	0	0	0	111.9	C448 L466 L467 M470 L494 D495 P496 R500 R503 F504	C448-L498 HydrophobicContact CB-CD1 3.45Å; C448-L498 VanDerWaalsContact CB-CD1 3.45Å; L466-L498 HydrophobicContact CD2-CD2 4.41Å; L467-L498 HydrophobicContact CD2-CD2 3.35Å; L467-L498 HydrophobicContact CD2-CG 3.73Å; L467-L498 HydrophobicContact CG-CD2 4.32Å; M470-L498 HydrophobicContact SD-CD2 3.98Å; L494-L498 HydrophobicContact CD1-CD1 3.7Å; L494-L498 HydrophobicContact CD2-CB 4.15Å; L494-L498 HydrophobicContact CD2-CD1 4.27Å; L494-L498 HydrophobicContact CG-CB 4.42Å; L494-L498 HydrophobicContact CG-CD1 3.88Å; D495-L498 HydrophobicContact CB-CD1 4.46Å; D495-L498 PolarHBondContact O-N 3.29Å; P496-L498 VanDerWaalsContact C-N 3.27Å; P496-L498 PolarHBondContact O-N 2.97Å; L498-R500 PolarHBondContact O-N 3.29Å; L498-R503 WeakPolarHBondContact O-CB 3.44Å; L498-F504 HydrophobicContact CB-CD2 4.01Å; L498-F504 HydrophobicContact CB-CE2 4.22Å; L498-F504 HydrophobicContact CD2-CD2 4.46Å; L498-F504 HydrophobicContact CD2-CE2 4.01Å; L498-F504 WeakPolarHBondContact O-CD2 3.38Å; L498-F504 PolarHBondContact O-N 2.93Å
499	R	88.9	Confident	86.7	Confident	107 Å²	107	56.8 Å²	56.8	40%	0.404	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	14.1	-177.9	-58.8	-179.5	65	-167.3	-2.2	114.1	L380 L494 P496 E507	L380-R499 HydrophobicContact CD2-CG 4.46Å; L494-R499 HydrophobicContact CD2-CG 4.12Å; P496-R499 PolarHBondContact O-N 2.76Å; R499-E507 WeakPolarHBondContact CB-OE1 3.36Å; R499-E507 WeakPolarHBondContact CG-OE1 3.41Å; R499-E507 IonicContact CZ-OE1 3.82Å; R499-E507 IonicContact CZ-OE2 3.9Å; R499-E507 IonicContact NE-OE1 3.21Å; R499-E507 PolarHBondContact NE-OE1 3.38Å; R499-E507 IonicContact NE-OE2 2.57Å; R499-E507 PolarHBondContact NE-OE2 2.89Å; R499-E507 IonicContact NH2-OE1 2.88Å; R499-E507 PolarHBondContact NH2-OE1 3.39Å; R499-E507 IonicContact NH2-OE2 2.73Å; R499-E507 PolarHBondContact NH2-OE2 3.27Å
500	R	88.8	Confident	86.7	Confident	158 Å²	158	54.4 Å²	54.4	60%	0.596	27%	0.269	S	S	*	.	S	Bend	trans	-92.2	142	179.5	-66.4	-176	-179.1	-173.3	-1.7	109.7	L498 R503	L498-R500 PolarHBondContact O-N 3.29Å; R500-R503 PolarHBondContact O-N 3.45Å
501	P	83.1	Confident	86.7	Confident	122 Å²	122	48.8 Å²	48.8	79%	0.792	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	141.3	169.1	-26	35	0	0	0	111.7	D505	P501-D505 WeakPolarHBondContact CA-OD1 3.33Å
502	G	78.4	Confident	86.6	Confident	30 Å²	30	49.6 Å²	49.6	31%	0.309	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-1.3	-165.6	0	0	0	0	0	114.3	R377 D505	R377-G502 WeakPolarHBondContact CD-O 3.36Å; G502-D505 PolarHBondContact N-OD1 3.43Å
503	R	87.4	Confident	86.7	Confident	41 Å²	41	47.7 Å²	47.7	16%	0.155	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-89.9	-178.1	-66.5	171	178.4	164.3	-2.1	111.4	R377 G378 M470 D471 A497 L498 R500	R377-R503 CarbonylContact C-O 3.49Å; G378-R503 WeakPolarHBondContact CA-O 3.44Å; G378-R503 PolarHBondContact N-O 3.11Å; M470-R503 HydrophobicContact CB-CG 4.46Å; M470-R503 HydrophobicContact CE-CB 3.95Å; D471-R503 WeakPolarHBondContact OD1-CG 3.3Å; D471-R503 IonicContact OD1-CZ 2.75Å; D471-R503 IonicContact OD1-NE 3.12Å; D471-R503 PolarHBondContact OD1-NE 3.02Å; D471-R503 IonicContact OD1-NH2 3.22Å; D471-R503 PolarHBondContact OD1-NH2 3.24Å; D471-R503 IonicContact OD2-CZ 3.47Å; D471-R503 IonicContact OD2-NE 3.98Å; D471-R503 IonicContact OD2-NH2 3.99Å; D471-R503 PolarHBondContact OD2-NH2 2.94Å; A497-R503 VanDerWaalsContact O-CD 3.32Å; A497-R503 WeakPolarHBondContact O-CD 3.49Å; A497-R503 PolarHBondContact O-NH1 3.5Å; L498-R503 WeakPolarHBondContact O-CB 3.44Å; R500-R503 PolarHBondContact O-N 3.45Å
504	F	90.1	Very high	86.6	Confident	4 Å²	4	48 Å²	48	2%	0.018	26%	0.257	C	S	.	.	S	Bend	trans	-94.8	96.3	163.7	-68.6	-65.8	0	0	0	108.1	L380 L444 M470 V484 L498	L380-F504 HydrophobicContact CB-CB 4.14Å; L380-F504 HydrophobicContact CB-CD1 4.04Å; L380-F504 HydrophobicContact CB-CG 4.03Å; L444-F504 HydrophobicContact CD2-CE2 3.64Å; L444-F504 HydrophobicContact CD2-CZ 3.81Å; M470-F504 HydrophobicContact CE-CD1 4.27Å; M470-F504 HydrophobicContact CE-CD2 4.14Å; M470-F504 HydrophobicContact CE-CE1 4.06Å; M470-F504 HydrophobicContact CE-CE2 3.93Å; M470-F504 HydrophobicContact CE-CG 4.31Å; M470-F504 HydrophobicContact CE-CZ 3.88Å; M470-F504 HydrophobicContact SD-CE2 4.23Å; M470-F504 HydrophobicContact SD-CZ 4.39Å; V484-F504 HydrophobicContact CG1-CE1 4.15Å; V484-F504 HydrophobicContact CG1-CZ 4.2Å; L498-F504 HydrophobicContact CB-CD2 4.01Å; L498-F504 HydrophobicContact CB-CE2 4.22Å; L498-F504 HydrophobicContact CD2-CD2 4.46Å; L498-F504 HydrophobicContact CD2-CE2 4.01Å; L498-F504 WeakPolarHBondContact O-CD2 3.38Å; L498-F504 PolarHBondContact O-N 2.93Å
505	D	86.4	Confident	86.3	Confident	58 Å²	58	49.4 Å²	49.4	31%	0.31	27%	0.267	S	S	.	.			trans	-79.9	-23.6	-174.9	-59.2	-49.1	0	0	0	112.5	P376 R377 G378 P501 G502	P376-D505 WeakPolarHBondContact CA-OD2 3.38Å; P376-D505 HydrophobicContact CB-CB 4.38Å; R377-D505 PolarHBondContact N-OD2 2.99Å; G378-D505 PolarHBondContact O-N 3.33Å; P501-D505 WeakPolarHBondContact CA-OD1 3.33Å; G502-D505 PolarHBondContact N-OD1 3.43Å
506	K	87.5	Confident	86.2	Confident	109 Å²	109	52.8 Å²	52.8	47%	0.474	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.3	177	-79.1	-73.3	-170.9	169.3	0	110.5	T357 V379 L380	T357-K506 HydrophobicContact CG2-CB 4.31Å; T357-K506 HydrophobicContact CG2-CG 3.94Å; V379-K506 CarbonylContact C-O 3.57Å; V379-K506 WeakPolarHBondContact CA-O 3.34Å; V379-K506 HydrophobicContact CG1-CB 4.22Å; V379-K506 HydrophobicContact CG2-CB 4.29Å; L380-K506 PolarHBondContact N-O 2.92Å
507	E	89.9	Confident	86.3	Confident	58 Å²	58	52.3 Å²	52.3	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.1	169.2	-53.2	-172.9	167.5	0	0	107.9	L380 Y382 R499	L380-E507 HydrophobicContact CB-CG 4.36Å; L380-E507 HydrophobicContact CD2-CG 4.39Å; L380-E507 CarbonylContact O-C 3.39Å; L380-E507 WeakPolarHBondContact O-CA 3.3Å; Y382-E507 HydrophobicContact CD1-CB 4.24Å; Y382-E507 HydrophobicContact CE1-CB 3.91Å; R499-E507 WeakPolarHBondContact CB-OE1 3.36Å; R499-E507 WeakPolarHBondContact CG-OE1 3.41Å; R499-E507 IonicContact CZ-OE1 3.82Å; R499-E507 IonicContact CZ-OE2 3.9Å; R499-E507 IonicContact NE-OE1 3.21Å; R499-E507 PolarHBondContact NE-OE1 3.38Å; R499-E507 IonicContact NE-OE2 2.57Å; R499-E507 PolarHBondContact NE-OE2 2.89Å; R499-E507 IonicContact NH2-OE1 2.88Å; R499-E507 PolarHBondContact NH2-OE1 3.39Å; R499-E507 IonicContact NH2-OE2 2.73Å; R499-E507 PolarHBondContact NH2-OE2 3.27Å
508	L	89.9	Confident	86.3	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.5	-177.3	-62.3	178.2	0	0	0	110.1	A353 I354 V379 L380 L381 Y382	A353-L508 HydrophobicContact CB-CD2 4.02Å; I354-L508 HydrophobicContact CD1-CD1 4.09Å; I354-L508 HydrophobicContact CG1-CD1 3.49Å; I354-L508 VanDerWaalsContact CG1-CD1 3.49Å; V379-L508 HydrophobicContact CG1-CD1 3.68Å; V379-L508 HydrophobicContact CG1-CG 4.01Å; L380-L508 PolarHBondContact O-N 2.95Å; L381-L508 HydrophobicContact CD2-CB 3.99Å; L381-L508 HydrophobicContact CD2-CD1 4.01Å; Y382-L508 PolarHBondContact N-O 2.92Å
509	E	88.1	Confident	86.5	Confident	101 Å²	101	53.4 Å²	53.4	47%	0.472	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.4	177.7	-164.9	154.7	165.5	0	0	111.3	Q350 Y382	Q350-E509 PolarHBondContact NE2-O 3.32Å; Y382-E509 HydrophobicContact CD2-CG 4.17Å; Y382-E509 HydrophobicContact CE1-CB 4.22Å; Y382-E509 HydrophobicContact CE2-CB 3.77Å; Y382-E509 VanDerWaalsContact CE2-CD 3.43Å; Y382-E509 HydrophobicContact CE2-CG 3.5Å; Y382-E509 WeakPolarHBondContact CE2-OE2 3.38Å; Y382-E509 VanDerWaalsContact CZ-OE2 3.28Å; Y382-E509 PolarHBondContact OH-OE2 3.48Å
510	V	88.5	Confident	86.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	29%	0.287	C	S	.	.			trans	-104.8	81.1	171.9	-167.2	0	0	0	0	107.7	L347 Y382 T387 K389 I392	L347-V510 HydrophobicContact CD1-CG1 3.76Å; L347-V510 HydrophobicContact CD2-CG1 3.88Å; Y382-V510 PolarHBondContact O-N 3.22Å; T387-V510 PolarHBondContact OG1-O 3.08Å; K389-V510 HydrophobicContact CG-CB 4.14Å; K389-V510 HydrophobicContact CG-CG1 4.47Å; K389-V510 HydrophobicContact CG-CG2 4.09Å; I392-V510 HydrophobicContact CD1-CG1 4.15Å; I392-V510 HydrophobicContact CD1-CG2 4.21Å
511	G	82.9	Confident	86.7	Confident	25 Å²	25	43.8 Å²	43.8	26%	0.258	26%	0.262	S	S	.	.			trans	-74.6	-170.8	-176.9	0	0	0	0	0	114.9	T387	T387-G511 VanDerWaalsContact CG2-O 3.23Å; T387-G511 WeakPolarHBondContact CG2-O 3.41Å
512	V	83.4	Confident	87.1	Confident	39 Å²	39	38 Å²	38	24%	0.236	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-75.8	131.1	172.6	-177.6	0	0	0	0	108.8	P384 V549 A602	P384-V512 HydrophobicContact CG-CG2 4.03Å; V512-V549 HydrophobicContact CG1-CG1 4.24Å; V512-V549 HydrophobicContact CG2-CG1 4.26Å; V512-A602 HydrophobicContact CG2-CB 4.2Å
513	P	84.9	Confident	87.7	Confident	10 Å²	10	42.1 Å²	42.1	7%	0.065	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-69	139.9	-174.4	25.9	-34.4	0	0	0	113.4	E517 R518 I521	P513-E517 WeakPolarHBondContact CA-OE2 3.34Å; P513-E517 HydrophobicContact CB-CB 3.78Å; P513-R518 HydrophobicContact CB-CG 3.96Å; P513-R518 HydrophobicContact CG-CG 3.76Å; P513-R518 PolarHBondContact O-NH1 3.37Å; P513-I521 HydrophobicContact CB-CD1 3.89Å; P513-I521 HydrophobicContact CG-CD1 3.91Å
514	G	81.6	Confident	87.8	Confident	33 Å²	33	42.6 Å²	42.6	34%	0.34	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-68.4	173.1	171.8	0	0	0	0	0	113.2	A516 E517 R518	G514-A516 PolarHBondContact O-N 3.39Å; G514-E517 PolarHBondContact N-OE2 3.21Å; G514-E517 WeakPolarHBondContact O-CB 3.3Å; G514-E517 PolarHBondContact O-N 2.88Å; G514-E517 VanDerWaalsContact O-N 3.16Å; G514-R518 WeakPolarHBondContact O-CG 3.43Å; G514-R518 PolarHBondContact O-N 2.99Å
515	S	81.6	Confident	87.7	Confident	31 Å²	31	45.4 Å²	45.4	22%	0.217	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-48.6	-174.6	-168.6	0	0	0	0	113.2	E517 R518 A519 A542 D543	S515-E517 VanDerWaalsContact C-N 3.26Å; S515-E517 PolarHBondContact O-N 3.3Å; S515-R518 PolarHBondContact O-N 2.93Å; S515-A519 PolarHBondContact O-N 3.32Å; S515-A542 WeakPolarHBondContact O-CB 3.45Å; S515-D543 WeakPolarHBondContact CB-OD1 3.26Å; S515-D543 WeakPolarHBondContact OG-CA 3.48Å; S515-D543 PolarHBondContact OG-N 3.35Å; S515-D543 PolarHBondContact OG-OD1 2.88Å
516	A	85.8	Confident	87.8	Confident	81 Å²	81	43.1 Å²	43.1	67%	0.669	24%	0.24	S	C	*	.	H	α-helix	trans	-59.6	-36.9	175.8	0	0	0	0	0	112.7	G514 A519 D520	G514-A516 PolarHBondContact O-N 3.39Å; A516-A519 PolarHBondContact O-N 2.86Å; A516-D520 PolarHBondContact O-N 2.96Å; A516-D520 VanDerWaalsContact O-N 3.13Å
517	E	88.6	Confident	87.7	Confident	60 Å²	60	42.6 Å²	42.6	28%	0.28	25%	0.25	S	S	.	.	H	α-helix	trans	-70.1	-39.9	177.7	-62.3	176.7	167.4	0	0	111.7	P513 G514 S515 A519 D520 I521	P513-E517 WeakPolarHBondContact CA-OE2 3.34Å; P513-E517 HydrophobicContact CB-CB 3.78Å; G514-E517 PolarHBondContact N-OE2 3.21Å; G514-E517 WeakPolarHBondContact O-CB 3.3Å; G514-E517 PolarHBondContact O-N 2.88Å; G514-E517 VanDerWaalsContact O-N 3.16Å; S515-E517 VanDerWaalsContact C-N 3.26Å; S515-E517 PolarHBondContact O-N 3.3Å; E517-A519 VanDerWaalsContact C-N 3.32Å; E517-A519 PolarHBondContact O-N 2.9Å; E517-D520 PolarHBondContact O-N 2.86Å; E517-I521 VanDerWaalsContact O-CG1 3.25Å; E517-I521 WeakPolarHBondContact O-CG1 3.4Å; E517-I521 PolarHBondContact O-N 3.29Å
518	R	89.5	Confident	87.3	Confident	18 Å²	18	44.7 Å²	44.7	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-37.3	172.7	-69.8	-171.7	-56.3	-100	12.9	111.8	P513 G514 S515 I521 L522 A542 A545 L553	P513-R518 HydrophobicContact CB-CG 3.96Å; P513-R518 HydrophobicContact CG-CG 3.76Å; P513-R518 PolarHBondContact O-NH1 3.37Å; G514-R518 WeakPolarHBondContact O-CG 3.43Å; G514-R518 PolarHBondContact O-N 2.99Å; S515-R518 PolarHBondContact O-N 2.93Å; R518-I521 PolarHBondContact O-N 3.34Å; R518-L522 WeakPolarHBondContact O-CB 3.24Å; R518-L522 WeakPolarHBondContact O-CG 3.32Å; R518-L522 PolarHBondContact O-N 3.04Å; R518-A542 HydrophobicContact CB-CB 3.93Å; R518-A542 VanDerWaalsContact CZ-O 3.26Å; R518-A542 PolarHBondContact NE-O 2.78Å; R518-A542 PolarHBondContact NH2-O 3.05Å; R518-A545 VanDerWaalsContact CD-O 3.26Å; R518-A545 WeakPolarHBondContact CD-O 3.46Å; R518-A545 PolarHBondContact NE-O 3.37Å; R518-A545 VanDerWaalsContact NE-O 3.11Å; R518-L553 HydrophobicContact CB-CD1 3.95Å; R518-L553 HydrophobicContact CG-CD1 3.98Å
519	A	90.3	Very high	87	Confident	15 Å²	15	46.2 Å²	46.2	12%	0.124	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.2	0	0	0	0	0	112	S515 A516 E517 L522 Q523 A542	S515-A519 PolarHBondContact O-N 3.32Å; A516-A519 PolarHBondContact O-N 2.86Å; E517-A519 VanDerWaalsContact C-N 3.32Å; E517-A519 PolarHBondContact O-N 2.9Å; A519-L522 PolarHBondContact O-N 2.68Å; A519-Q523 WeakPolarHBondContact O-CB 3.46Å; A519-Q523 PolarHBondContact O-N 2.76Å; A519-A542 HydrophobicContact CB-CB 3.84Å
520	D	90.8	Very high	86.7	Confident	46 Å²	46	44.8 Å²	44.8	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-40	174.4	177.9	43.8	0	0	0	112.2	G345 G346 A516 E517 Q523 K524	G345-D520 WeakPolarHBondContact CA-OD2 3.45Å; G346-D520 PolarHBondContact N-OD2 3.45Å; A516-D520 PolarHBondContact O-N 2.96Å; A516-D520 VanDerWaalsContact O-N 3.13Å; E517-D520 PolarHBondContact O-N 2.86Å; D520-Q523 PolarHBondContact O-N 3.29Å; D520-K524 WeakPolarHBondContact O-CB 3.28Å; D520-K524 WeakPolarHBondContact O-CG 3.47Å; D520-K524 PolarHBondContact O-N 2.93Å; D520-K524 WeakPolarHBondContact OD1-CD 3.49Å; D520-K524 WeakPolarHBondContact OD1-CE 3.4Å; D520-K524 IonicContact OD1-NZ 2.7Å; D520-K524 PolarHBondContact OD1-NZ 2.95Å; D520-K524 IonicContact OD2-NZ 2.71Å; D520-K524 PolarHBondContact OD2-NZ 3.24Å
521	I	92	Very high	86.4	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.082	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-49.7	172.4	-67.4	162.9	0	0	0	110.7	P513 E517 R518 Q523 K524 Q525 L553	P513-I521 HydrophobicContact CB-CD1 3.89Å; P513-I521 HydrophobicContact CG-CD1 3.91Å; E517-I521 VanDerWaalsContact O-CG1 3.25Å; E517-I521 WeakPolarHBondContact O-CG1 3.4Å; E517-I521 PolarHBondContact O-N 3.29Å; R518-I521 PolarHBondContact O-N 3.34Å; I521-Q523 VanDerWaalsContact C-N 3.35Å; I521-Q523 PolarHBondContact O-N 3.25Å; I521-K524 PolarHBondContact O-N 3.47Å; I521-Q525 HydrophobicContact CG2-CG 4.15Å; I521-Q525 WeakPolarHBondContact O-CB 3.46Å; I521-Q525 VanDerWaalsContact O-CG 3.3Å; I521-Q525 WeakPolarHBondContact O-CG 3.49Å; I521-Q525 PolarHBondContact O-N 2.73Å; I521-L553 HydrophobicContact CB-CD1 4.03Å; I521-L553 HydrophobicContact CD1-CD1 4.44Å; I521-L553 HydrophobicContact CG2-CB 4.19Å; I521-L553 HydrophobicContact CG2-CD1 3.74Å
522	L	91.4	Very high	86.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-44.4	177.8	-78.2	166.9	0	0	0	111.8	R518 A519 K524 Q525 L526 L541 A542 L553	R518-L522 WeakPolarHBondContact O-CB 3.24Å; R518-L522 WeakPolarHBondContact O-CG 3.32Å; R518-L522 PolarHBondContact O-N 3.04Å; A519-L522 PolarHBondContact O-N 2.68Å; L522-K524 VanDerWaalsContact C-N 3.34Å; L522-K524 PolarHBondContact O-N 3.25Å; L522-Q525 PolarHBondContact O-N 3.16Å; L522-L526 VanDerWaalsContact O-CB 3.31Å; L522-L526 WeakPolarHBondContact O-CB 3.39Å; L522-L526 VanDerWaalsContact O-CG 3.32Å; L522-L526 WeakPolarHBondContact O-CG 3.48Å; L522-L526 PolarHBondContact O-N 2.91Å; L522-L541 HydrophobicContact CD1-CB 4.43Å; L522-L541 HydrophobicContact CD1-CD2 4.03Å; L522-L541 HydrophobicContact CD2-CD2 4.4Å; L522-A542 HydrophobicContact CD1-CB 4.27Å; L522-L553 HydrophobicContact CD1-CD2 4.4Å; L522-L553 HydrophobicContact CD2-CB 4.25Å; L522-L553 HydrophobicContact CD2-CD2 4.12Å; L522-L553 HydrophobicContact CG-CD1 4.42Å; L522-L553 HydrophobicContact CG-CD2 4.22Å
523	Q	90.5	Very high	86.2	Confident	116 Å²	116	48.4 Å²	48.4	54%	0.542	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-43.2	177.6	-173.2	175.8	5.9	0	0	111.7	A519 D520 I521 S527	A519-Q523 WeakPolarHBondContact O-CB 3.46Å; A519-Q523 PolarHBondContact O-N 2.76Å; D520-Q523 PolarHBondContact O-N 3.29Å; I521-Q523 VanDerWaalsContact C-N 3.35Å; I521-Q523 PolarHBondContact O-N 3.25Å; Q523-S527 PolarHBondContact O-N 2.71Å
524	K	89.8	Confident	86.2	Confident	52 Å²	52	51.5 Å²	51.5	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-42.7	177.3	-76	163.7	177.8	161.2	0	112.7	S342 I344 D520 I521 L522 L526 S527	S342-K524 WeakPolarHBondContact O-CE 3.34Å; I344-K524 WeakPolarHBondContact O-CD 3.23Å; I344-K524 WeakPolarHBondContact O-CE 3.45Å; I344-K524 PolarHBondContact O-NZ 3.49Å; D520-K524 WeakPolarHBondContact O-CB 3.28Å; D520-K524 WeakPolarHBondContact O-CG 3.47Å; D520-K524 PolarHBondContact O-N 2.93Å; D520-K524 WeakPolarHBondContact OD1-CD 3.49Å; D520-K524 WeakPolarHBondContact OD1-CE 3.4Å; D520-K524 IonicContact OD1-NZ 2.7Å; D520-K524 PolarHBondContact OD1-NZ 2.95Å; D520-K524 IonicContact OD2-NZ 2.71Å; D520-K524 PolarHBondContact OD2-NZ 3.24Å; I521-K524 PolarHBondContact O-N 3.47Å; L522-K524 VanDerWaalsContact C-N 3.34Å; L522-K524 PolarHBondContact O-N 3.25Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 3.03Å; K524-S527 PolarHBondContact O-N 3Å; K524-S527 PolarHBondContact O-OG 3.26Å
525	Q	89.1	Confident	86.2	Confident	62 Å²	62	53 Å²	53	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-29.7	176.4	-67.4	-56.6	-55.3	0	0	113.2	I521 L522 P528	I521-Q525 HydrophobicContact CG2-CG 4.15Å; I521-Q525 WeakPolarHBondContact O-CB 3.46Å; I521-Q525 VanDerWaalsContact O-CG 3.3Å; I521-Q525 WeakPolarHBondContact O-CG 3.49Å; I521-Q525 PolarHBondContact O-N 2.73Å; L522-Q525 PolarHBondContact O-N 3.16Å; Q525-P528 WeakPolarHBondContact O-CD 3.33Å
526	L	87.2	Confident	86.4	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-88	-14.6	175.7	-68	170.2	0	0	0	113.6	L522 K524 P528 V529 C531 L538 C557 L591	L522-L526 VanDerWaalsContact O-CB 3.31Å; L522-L526 WeakPolarHBondContact O-CB 3.39Å; L522-L526 VanDerWaalsContact O-CG 3.32Å; L522-L526 WeakPolarHBondContact O-CG 3.48Å; L522-L526 PolarHBondContact O-N 2.91Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 3.03Å; L526-P528 VanDerWaalsContact C-CD 3.44Å; L526-V529 PolarHBondContact O-N 3.41Å; L526-C531 HydrophobicContact CD2-CB 4.49Å; L526-L538 HydrophobicContact CD1-CD1 4.07Å; L526-L538 HydrophobicContact CD1-CD2 3.52Å; L526-L538 HydrophobicContact CD1-CG 4.46Å; L526-C557 HydrophobicContact CD2-CB 4.31Å; L526-L591 HydrophobicContact CD1-CD1 4.15Å
527	S	85.7	Confident	86.4	Confident	98 Å²	98	53.6 Å²	53.6	69%	0.685	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-34	178.6	70.1	0	0	0	0	116.3	Q523 K524	Q523-S527 PolarHBondContact O-N 2.71Å; K524-S527 PolarHBondContact O-N 3Å; K524-S527 PolarHBondContact O-OG 3.26Å
528	P	82.3	Confident	86.4	Confident	101 Å²	101	51.5 Å²	51.5	66%	0.656	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.6	172.2	35.1	-36.3	0	0	0	114.1	Q525 L526	Q525-P528 WeakPolarHBondContact O-CD 3.33Å; L526-P528 VanDerWaalsContact C-CD 3.44Å
529	V	82.6	Confident	86.3	Confident	54 Å²	54	53.7 Å²	53.7	33%	0.327	33%	0.332	S	S	.	.	S	Bend	trans	-110.4	130.1	-172.9	-175.3	0	0	0	0	110.3	L526 C531 V586	L526-V529 PolarHBondContact O-N 3.41Å; V529-C531 PolarHBondContact O-N 2.87Å; V529-V586 HydrophobicContact CG1-CB 4.47Å; V529-V586 HydrophobicContact CG1-CG2 3.66Å
530	P	82.1	Confident	86.2	Confident	71 Å²	71	59 Å²	59	46%	0.461	35%	0.354	S	S	.	.			trans	-60.5	103.7	171.2	-22.4	33.9	0	0	0	110.9	T585 V586	P530-T585 HydrophobicContact CB-CG2 4.07Å; P530-T585 WeakPolarHBondContact O-CA 3.25Å; P530-V586 PolarHBondContact O-N 2.96Å
531	C	82.8	Confident	86	Confident	42 Å²	42	57.1 Å²	57.1	28%	0.284	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-123.4	138.3	-177.3	-169	0	0	0	0	110.6	L526 V529 V586	L526-C531 HydrophobicContact CD2-CB 4.49Å; V529-C531 PolarHBondContact O-N 2.87Å; C531-V586 WeakPolarHBondContact CA-O 3.48Å; C531-V586 PolarHBondContact SG-O 2.79Å
532	S	82.6	Confident	85.8	Confident	79 Å²	79	56.3 Å²	56.3	55%	0.552	34%	0.34	S	S	*	.			trans	-95.8	-0.2	177.2	72.9	0	0	0	0	113.5	V586	S532-V586 PolarHBondContact N-O 3.41Å
533	A	78.8	Confident	85.5	Confident	20 Å²	20	60.2 Å²	60.2	17%	0.165	36%	0.361	C	S	.	.			trans	-77.6	140.2	-177.6	0	0	0	0	0	111.5	L538 L591	A533-L538 HydrophobicContact CB-CD2 4.26Å; A533-L538 HydrophobicContact CB-CG 4.5Å; A533-L591 HydrophobicContact CB-CD1 4.41Å
534	T	84.6	Confident	85.1	Confident	75 Å²	75	57.8 Å²	57.8	46%	0.46	36%	0.361	S	S	.	.			trans	-82.6	157.9	176.1	62.9	0	0	0	0	111.7	A536 E537 L538	T534-A536 PolarHBondContact O-N 2.79Å; T534-E537 WeakPolarHBondContact CB-OE2 3.38Å; T534-E537 PolarHBondContact N-OE2 3.3Å; T534-E537 PolarHBondContact O-N 3.02Å; T534-E537 VanDerWaalsContact O-N 3.1Å; T534-E537 VanDerWaalsContact OG1-CG 3.32Å; T534-E537 WeakPolarHBondContact OG1-CG 3.4Å; T534-E537 PolarHBondContact OG1-N 2.73Å; T534-E537 PolarHBondContact OG1-OE2 3.3Å; T534-L538 PolarHBondContact O-N 3.01Å
535	A	81.9	Confident	84.7	Confident	64 Å²	64	55.3 Å²	55.3	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-31	176.5	0	0	0	0	0	113.2	T539	A535-T539 PolarHBondContact O-N 2.92Å; A535-T539 PolarHBondContact O-OG1 2.86Å
536	A	85.1	Confident	84.1	Confident	62 Å²	62	57.3 Å²	57.3	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-43.1	174.6	0	0	0	0	0	112.1	T534 T539 Q540	T534-A536 PolarHBondContact O-N 2.79Å; A536-T539 WeakPolarHBondContact O-CB 3.48Å; A536-T539 PolarHBondContact O-N 3.38Å; A536-Q540 WeakPolarHBondContact O-CG 3.48Å; A536-Q540 PolarHBondContact O-N 2.83Å
537	E	86.4	Confident	83.6	Confident	63 Å²	63	57.4 Å²	57.4	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-38.4	175.2	-71.4	164.8	129.9	0	0	111.9	T534 T539 Q540 L541 M588	T534-E537 WeakPolarHBondContact CB-OE2 3.38Å; T534-E537 PolarHBondContact N-OE2 3.3Å; T534-E537 PolarHBondContact O-N 3.02Å; T534-E537 VanDerWaalsContact O-N 3.1Å; T534-E537 VanDerWaalsContact OG1-CG 3.32Å; T534-E537 WeakPolarHBondContact OG1-CG 3.4Å; T534-E537 PolarHBondContact OG1-N 2.73Å; T534-E537 PolarHBondContact OG1-OE2 3.3Å; E537-T539 VanDerWaalsContact C-N 3.28Å; E537-T539 PolarHBondContact O-N 2.85Å; E537-Q540 PolarHBondContact O-N 3.3Å; E537-L541 WeakPolarHBondContact O-CB 3.49Å; E537-L541 PolarHBondContact O-N 3.26Å; E537-M588 HydrophobicContact CB-CE 3.93Å; E537-M588 HydrophobicContact CB-CG 4.35Å; E537-M588 HydrophobicContact CB-SD 4.02Å; E537-M588 VanDerWaalsContact O-CE 3.3Å; E537-M588 WeakPolarHBondContact O-CE 3.26Å
538	L	88.2	Confident	83.6	Confident	16 Å²	16	53.5 Å²	53.5	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-33.2	173.3	-66	-179.5	0	0	0	112.6	L526 A533 T534 L541 A542 L591	L526-L538 HydrophobicContact CD1-CD1 4.07Å; L526-L538 HydrophobicContact CD1-CD2 3.52Å; L526-L538 HydrophobicContact CD1-CG 4.46Å; A533-L538 HydrophobicContact CB-CD2 4.26Å; A533-L538 HydrophobicContact CB-CG 4.5Å; T534-L538 PolarHBondContact O-N 3.01Å; L538-L541 PolarHBondContact O-N 3.25Å; L538-A542 WeakPolarHBondContact O-CB 3.13Å; L538-A542 PolarHBondContact O-N 2.9Å; L538-L591 HydrophobicContact CD2-CD1 4.07Å
539	T	88.1	Confident	83.8	Confident	64 Å²	64	48.7 Å²	48.7	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-45.3	174.1	-52.1	0	0	0	0	110.7	A535 A536 E537 L541 A542 D543	A535-T539 PolarHBondContact O-N 2.92Å; A535-T539 PolarHBondContact O-OG1 2.86Å; A536-T539 WeakPolarHBondContact O-CB 3.48Å; A536-T539 PolarHBondContact O-N 3.38Å; E537-T539 VanDerWaalsContact C-N 3.28Å; E537-T539 PolarHBondContact O-N 2.85Å; T539-L541 VanDerWaalsContact C-N 3.3Å; T539-L541 PolarHBondContact O-N 3.38Å; T539-A542 WeakPolarHBondContact O-CB 3.32Å; T539-A542 PolarHBondContact O-N 2.89Å; T539-A542 VanDerWaalsContact O-N 3.1Å; T539-D543 PolarHBondContact O-N 2.86Å
540	Q	87.5	Confident	84.2	Confident	126 Å²	126	47 Å²	47	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-61.3	-37.1	174	-67	173.5	5.1	0	0	112.5	A536 E537 A544	A536-Q540 WeakPolarHBondContact O-CG 3.48Å; A536-Q540 PolarHBondContact O-N 2.83Å; E537-Q540 PolarHBondContact O-N 3.3Å; Q540-A544 PolarHBondContact O-N 2.78Å
541	L	87.1	Confident	84.5	Confident	6 Å²	6	46 Å²	46	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-42.4	173.6	-157.7	78.9	0	0	0	111.2	L522 E537 L538 T539 A544 A545 M588 L591 Q592 M595	L522-L541 HydrophobicContact CD1-CB 4.43Å; L522-L541 HydrophobicContact CD1-CD2 4.03Å; L522-L541 HydrophobicContact CD2-CD2 4.4Å; E537-L541 WeakPolarHBondContact O-CB 3.49Å; E537-L541 PolarHBondContact O-N 3.26Å; L538-L541 PolarHBondContact O-N 3.25Å; T539-L541 VanDerWaalsContact C-N 3.3Å; T539-L541 PolarHBondContact O-N 3.38Å; L541-A544 PolarHBondContact O-N 3.31Å; L541-A545 WeakPolarHBondContact O-CB 3.38Å; L541-A545 PolarHBondContact O-N 3.23Å; L541-M588 HydrophobicContact CB-CE 4.14Å; L541-M588 HydrophobicContact CD1-CE 3.8Å; L541-M588 HydrophobicContact CD1-SD 4.15Å; L541-L591 HydrophobicContact CD1-CB 4.36Å; L541-L591 HydrophobicContact CD2-CB 3.9Å; L541-L591 HydrophobicContact CD2-CD1 4.28Å; L541-L591 HydrophobicContact CD2-CD2 4.47Å; L541-L591 HydrophobicContact CD2-CG 4.45Å; L541-Q592 HydrophobicContact CD1-CG 4.07Å; L541-M595 HydrophobicContact CD1-CG 4.47Å; L541-M595 HydrophobicContact CD1-SD 3.34Å; L541-M595 WeakPolarHBondContact CD1-SD 3.45Å; L541-M595 HydrophobicContact CD2-SD 4.39Å; L541-M595 HydrophobicContact CG-CE 4.34Å; L541-M595 HydrophobicContact CG-SD 3.62Å
542	A	87.5	Confident	84.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-37.5	178.4	0	0	0	0	0	112.4	S515 R518 A519 L522 L538 T539 A545	S515-A542 WeakPolarHBondContact O-CB 3.45Å; R518-A542 HydrophobicContact CB-CB 3.93Å; R518-A542 VanDerWaalsContact CZ-O 3.26Å; R518-A542 PolarHBondContact NE-O 2.78Å; R518-A542 PolarHBondContact NH2-O 3.05Å; A519-A542 HydrophobicContact CB-CB 3.84Å; L522-A542 HydrophobicContact CD1-CB 4.27Å; L538-A542 WeakPolarHBondContact O-CB 3.13Å; L538-A542 PolarHBondContact O-N 2.9Å; T539-A542 WeakPolarHBondContact O-CB 3.32Å; T539-A542 PolarHBondContact O-N 2.89Å; T539-A542 VanDerWaalsContact O-N 3.1Å; A542-A545 WeakPolarHBondContact O-CB 3.45Å; A542-A545 PolarHBondContact O-N 3.21Å
543	D	84.6	Confident	85.4	Confident	82 Å²	82	40.7 Å²	40.7	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-50	172.9	-72.2	-33.8	0	0	0	110.5	S515 T539 A545 H546	S515-D543 WeakPolarHBondContact CB-OD1 3.26Å; S515-D543 WeakPolarHBondContact OG-CA 3.48Å; S515-D543 PolarHBondContact OG-N 3.35Å; S515-D543 PolarHBondContact OG-OD1 2.88Å; T539-D543 PolarHBondContact O-N 2.86Å; D543-A545 PolarHBondContact O-N 3.29Å; D543-H546 PolarHBondContact O-CD2 2.99Å; D543-H546 PolarHBondContact O-CE1 3.43Å; D543-H546 PolarHBondContact O-NE2 3.48Å; D543-H546 VanDerWaalsContact O-NE2 3.15Å
544	A	82.7	Confident	85.9	Confident	65 Å²	65	41.3 Å²	41.3	54%	0.537	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-21.4	176.1	0	0	0	0	0	114.1	Q540 L541 H546 M595	Q540-A544 PolarHBondContact O-N 2.78Å; L541-A544 PolarHBondContact O-N 3.31Å; A544-H546 PolarHBondContact O-N 3.4Å; A544-M595 HydrophobicContact CB-CE 4.47Å
545	A	81.8	Confident	86.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.253	C	S	.	.			trans	-78.4	44.6	-176.9	0	0	0	0	0	114.2	R518 L541 A542 D543 G547 Y548 L553 M595	R518-A545 VanDerWaalsContact CD-O 3.26Å; R518-A545 WeakPolarHBondContact CD-O 3.46Å; R518-A545 PolarHBondContact NE-O 3.37Å; R518-A545 VanDerWaalsContact NE-O 3.11Å; L541-A545 WeakPolarHBondContact O-CB 3.38Å; L541-A545 PolarHBondContact O-N 3.23Å; A542-A545 WeakPolarHBondContact O-CB 3.45Å; A542-A545 PolarHBondContact O-N 3.21Å; D543-A545 PolarHBondContact O-N 3.29Å; A545-G547 PolarHBondContact O-N 3.15Å; A545-Y548 HydrophobicContact CB-CD2 3.93Å; A545-Y548 HydrophobicContact CB-CG 4.07Å; A545-Y548 WeakPolarHBondContact O-CD2 3.34Å; A545-Y548 PolarHBondContact O-N 3.42Å; A545-L553 HydrophobicContact CB-CD2 4.25Å; A545-M595 HydrophobicContact CB-CE 3.5Å
546	H	77.3	Confident	86.8	Confident	105 Å²	105	36.5 Å²	36.5	49%	0.486	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.2	177.9	-61.9	-79.4	0	0	0	111.8	D543 A544 Y548	D543-H546 PolarHBondContact O-CD2 2.99Å; D543-H546 PolarHBondContact O-CE1 3.43Å; D543-H546 PolarHBondContact O-NE2 3.48Å; D543-H546 VanDerWaalsContact O-NE2 3.15Å; A544-H546 PolarHBondContact O-N 3.4Å; H546-Y548 VanDerWaalsContact C-N 3.26Å; H546-Y548 PolarHBondContact O-N 3.25Å
547	G	76	Confident	87.2	Confident	13 Å²	13	34.3 Å²	34.3	13%	0.134	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	3.9	178.3	0	0	0	0	0	116.1	A545 P600 A602	A545-G547 PolarHBondContact O-N 3.15Å; G547-P600 WeakPolarHBondContact O-CB 3.33Å; G547-A602 VanDerWaalsContact O-CB 3.28Å; G547-A602 WeakPolarHBondContact O-CB 3.43Å
548	Y	84.6	Confident	87.4	Confident	15 Å²	15	38.5 Å²	38.5	6%	0.059	23%	0.227	C	C	.	.			trans	-75.3	129.5	173.8	-78.9	-111.4	0	0	0	110.9	A545 H546 D552 L553 V556 M595 V598 P600	A545-Y548 HydrophobicContact CB-CD2 3.93Å; A545-Y548 HydrophobicContact CB-CG 4.07Å; A545-Y548 WeakPolarHBondContact O-CD2 3.34Å; A545-Y548 PolarHBondContact O-N 3.42Å; H546-Y548 VanDerWaalsContact C-N 3.26Å; H546-Y548 PolarHBondContact O-N 3.25Å; Y548-D552 HydrophobicContact CD1-CB 3.58Å; Y548-D552 HydrophobicContact CE1-CB 4.33Å; Y548-D552 HydrophobicContact CG-CB 4.27Å; Y548-L553 HydrophobicContact CD1-CD2 4.08Å; Y548-L553 HydrophobicContact CG-CD2 4.24Å; Y548-V556 HydrophobicContact CD1-CG2 4.21Å; Y548-V556 HydrophobicContact CE1-CG2 3.65Å; Y548-M595 HydrophobicContact CE2-CE 4.3Å; Y548-M595 PolarHBondContact OH-O 3.11Å; Y548-M595 VanDerWaalsContact OH-O 3.09Å; Y548-V598 HydrophobicContact CE1-CG1 4.26Å; Y548-V598 PolarHBondContact OH-O 3.25Å; Y548-P600 HydrophobicContact CD2-CB 3.82Å; Y548-P600 HydrophobicContact CD2-CG 4.16Å; Y548-P600 HydrophobicContact CE2-CB 4.03Å; Y548-P600 HydrophobicContact CE2-CG 3.93Å; Y548-P600 HydrophobicContact CG-CB 4.1Å
549	V	88.6	Confident	87.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.234	C	C	.	.			trans	-95	167.7	169.2	-84.2	0	0	0	0	111.6	T387 V512 A551 D552 L553	T387-V549 HydrophobicContact CG2-CB 4.41Å; T387-V549 HydrophobicContact CG2-CG1 3.61Å; V512-V549 HydrophobicContact CG1-CG1 4.24Å; V512-V549 HydrophobicContact CG2-CG1 4.26Å; V549-A551 PolarHBondContact O-N 3.45Å; V549-A551 VanDerWaalsContact O-N 3.16Å; V549-D552 WeakPolarHBondContact CG2-OD2 3.48Å; V549-D552 PolarHBondContact N-OD2 3.32Å; V549-D552 WeakPolarHBondContact O-CA 3.43Å; V549-D552 WeakPolarHBondContact O-CB 3.4Å; V549-D552 PolarHBondContact O-N 3.2Å; V549-L553 PolarHBondContact O-N 3Å
550	G	89.1	Confident	87.9	Confident	19 Å²	19	37.1 Å²	37.1	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-36.6	-175.5	0	0	0	0	0	114.3	G386 L553 A554	G386-G550 PolarHBondContact O-N 2.76Å; G550-L553 PolarHBondContact O-N 2.91Å; G550-A554 WeakPolarHBondContact O-CB 3.48Å; G550-A554 PolarHBondContact O-N 3.16Å
551	A	90	Very high	88	Confident	51 Å²	51	32.1 Å²	32.1	42%	0.421	20%	0.198	S	C	.	.	H	α-helix	trans	-65	-35.6	172.7	0	0	0	0	0	113.6	G386 V549 A555	G386-A551 WeakPolarHBondContact O-CB 3.4Å; G386-A551 PolarHBondContact O-N 2.99Å; V549-A551 PolarHBondContact O-N 3.45Å; V549-A551 VanDerWaalsContact O-N 3.16Å; A551-A555 PolarHBondContact O-N 3.1Å
552	D	91.1	Very high	88.2	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-70.9	-41.6	176.2	-56.4	-38.6	0	0	0	110.7	Y548 V549 A554 A555 V556 V598 P600 S601	Y548-D552 HydrophobicContact CD1-CB 3.58Å; Y548-D552 HydrophobicContact CE1-CB 4.33Å; Y548-D552 HydrophobicContact CG-CB 4.27Å; V549-D552 WeakPolarHBondContact CG2-OD2 3.48Å; V549-D552 PolarHBondContact N-OD2 3.32Å; V549-D552 WeakPolarHBondContact O-CA 3.43Å; V549-D552 WeakPolarHBondContact O-CB 3.4Å; V549-D552 PolarHBondContact O-N 3.2Å; D552-A554 VanDerWaalsContact C-N 3.34Å; D552-A554 PolarHBondContact O-N 3.36Å; D552-A555 CarbonylContact O-C 3.44Å; D552-A555 WeakPolarHBondContact O-CA 3.44Å; D552-A555 WeakPolarHBondContact O-CB 3.43Å; D552-A555 PolarHBondContact O-N 3.14Å; D552-A555 VanDerWaalsContact O-N 3.11Å; D552-V556 WeakPolarHBondContact O-CG2 3.32Å; D552-V556 PolarHBondContact O-N 3.02Å; D552-V598 HydrophobicContact CB-CG1 4.47Å; D552-P600 WeakPolarHBondContact OD2-CA 3.34Å; D552-S601 VanDerWaalsContact CG-N 3.31Å; D552-S601 VanDerWaalsContact OD1-CB 3.22Å; D552-S601 WeakPolarHBondContact OD1-CB 3.36Å; D552-S601 PolarHBondContact OD1-N 2.88Å; D552-S601 PolarHBondContact OD1-OG 2.86Å; D552-S601 PolarHBondContact OD2-N 2.75Å
553	L	91.4	Very high	88.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-40.9	176.4	-63.2	175	0	0	0	111.2	R518 I521 L522 A545 Y548 V549 G550 A555 V556 C557	R518-L553 HydrophobicContact CB-CD1 3.95Å; R518-L553 HydrophobicContact CG-CD1 3.98Å; I521-L553 HydrophobicContact CB-CD1 4.03Å; I521-L553 HydrophobicContact CD1-CD1 4.44Å; I521-L553 HydrophobicContact CG2-CB 4.19Å; I521-L553 HydrophobicContact CG2-CD1 3.74Å; L522-L553 HydrophobicContact CD1-CD2 4.4Å; L522-L553 HydrophobicContact CD2-CB 4.25Å; L522-L553 HydrophobicContact CD2-CD2 4.12Å; L522-L553 HydrophobicContact CG-CD1 4.42Å; L522-L553 HydrophobicContact CG-CD2 4.22Å; A545-L553 HydrophobicContact CB-CD2 4.25Å; Y548-L553 HydrophobicContact CD1-CD2 4.08Å; Y548-L553 HydrophobicContact CG-CD2 4.24Å; V549-L553 PolarHBondContact O-N 3Å; G550-L553 PolarHBondContact O-N 2.91Å; L553-A555 VanDerWaalsContact C-N 3.31Å; L553-A555 PolarHBondContact O-N 3.28Å; L553-V556 PolarHBondContact O-N 3.03Å; L553-C557 PolarHBondContact O-N 2.83Å; L553-C557 PolarHBondContact O-SG 3.34Å
554	A	91.4	Very high	88.5	Confident	33 Å²	33	34.6 Å²	34.6	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-61.9	-37.8	171.4	0	0	0	0	0	112.2	G550 D552 C557 K558	G550-A554 WeakPolarHBondContact O-CB 3.48Å; G550-A554 PolarHBondContact O-N 3.16Å; D552-A554 VanDerWaalsContact C-N 3.34Å; D552-A554 PolarHBondContact O-N 3.36Å; A554-C557 PolarHBondContact O-N 2.65Å; A554-K558 WeakPolarHBondContact O-CB 3.36Å; A554-K558 PolarHBondContact O-N 2.97Å
555	A	92.3	Very high	88.7	Confident	36 Å²	36	34.8 Å²	34.8	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-67.1	-38.9	173.5	0	0	0	0	0	112.6	A551 D552 L553 K558 E559 V598	A551-A555 PolarHBondContact O-N 3.1Å; D552-A555 CarbonylContact O-C 3.44Å; D552-A555 WeakPolarHBondContact O-CA 3.44Å; D552-A555 WeakPolarHBondContact O-CB 3.43Å; D552-A555 PolarHBondContact O-N 3.14Å; D552-A555 VanDerWaalsContact O-N 3.11Å; L553-A555 VanDerWaalsContact C-N 3.31Å; L553-A555 PolarHBondContact O-N 3.28Å; A555-K558 PolarHBondContact O-N 3.28Å; A555-E559 PolarHBondContact O-N 3Å; A555-V598 HydrophobicContact CB-CG1 4.18Å; A555-V598 HydrophobicContact CB-CG2 4.31Å
556	V	92.8	Very high	89	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-48.2	172.7	168.9	0	0	0	0	110.6	Y548 D552 L553 K558 E559 A560 L591 A594 M595 V598	Y548-V556 HydrophobicContact CD1-CG2 4.21Å; Y548-V556 HydrophobicContact CE1-CG2 3.65Å; D552-V556 WeakPolarHBondContact O-CG2 3.32Å; D552-V556 PolarHBondContact O-N 3.02Å; L553-V556 PolarHBondContact O-N 3.03Å; V556-K558 VanDerWaalsContact C-N 3.3Å; V556-K558 PolarHBondContact O-N 2.88Å; V556-E559 PolarHBondContact O-N 3.12Å; V556-A560 VanDerWaalsContact O-CB 3.3Å; V556-A560 WeakPolarHBondContact O-CB 3.38Å; V556-A560 PolarHBondContact O-N 3.31Å; V556-L591 HydrophobicContact CG1-CD2 4.25Å; V556-A594 HydrophobicContact CB-CB 4.47Å; V556-A594 HydrophobicContact CG1-CB 3.91Å; V556-A594 WeakPolarHBondContact O-CB 3.44Å; V556-M595 HydrophobicContact CG1-CG 4.1Å; V556-M595 HydrophobicContact CG2-CG 4.37Å; V556-V598 HydrophobicContact CG2-CB 3.82Å; V556-V598 HydrophobicContact CG2-CG1 4.02Å; V556-V598 HydrophobicContact CG2-CG2 4Å
557	C	92.2	Very high	89.3	Confident	16 Å²	16	42 Å²	42	11%	0.108	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-40	175.4	-65.6	0	0	0	0	111.9	L526 L553 A554 G561	L526-C557 HydrophobicContact CD2-CB 4.31Å; L553-C557 PolarHBondContact O-N 2.83Å; L553-C557 PolarHBondContact O-SG 3.34Å; A554-C557 PolarHBondContact O-N 2.65Å; C557-G561 PolarHBondContact O-N 3.41Å
558	K	91.9	Very high	89.6	Confident	152 Å²	152	42.6 Å²	42.6	66%	0.661	22%	0.223	S	C	*	.	H	α-helix	trans	-65.4	-46.6	177.5	-174.2	-177.9	178.7	-176.3	0	112.6	A554 A555 V556 G561 L562	A554-K558 WeakPolarHBondContact O-CB 3.36Å; A554-K558 PolarHBondContact O-N 2.97Å; A555-K558 PolarHBondContact O-N 3.28Å; V556-K558 VanDerWaalsContact C-N 3.3Å; V556-K558 PolarHBondContact O-N 2.88Å; K558-G561 PolarHBondContact O-N 3.21Å; K558-L562 WeakPolarHBondContact O-CB 3.18Å; K558-L562 PolarHBondContact O-N 3.39Å
559	E	92.9	Very high	89.3	Confident	50 Å²	50	45.5 Å²	45.5	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-68.6	-36.4	177.7	-74.7	-56.9	142.8	0	0	112.2	A555 V556 L562 R563 W593 A594 V598	A555-E559 PolarHBondContact O-N 3Å; V556-E559 PolarHBondContact O-N 3.12Å; E559-L562 PolarHBondContact O-N 3.43Å; E559-R563 WeakPolarHBondContact O-CB 3.25Å; E559-R563 PolarHBondContact O-N 3.47Å; E559-W593 HydrophobicContact CB-CZ3 4.47Å; E559-A594 HydrophobicContact CB-CB 3.93Å; E559-V598 HydrophobicContact CG-CG2 4.13Å
560	A	92.6	Very high	88.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-43.7	172.7	0	0	0	0	0	111.7	V556 R563 A564 V586 D590 L591 A594	V556-A560 VanDerWaalsContact O-CB 3.3Å; V556-A560 WeakPolarHBondContact O-CB 3.38Å; V556-A560 PolarHBondContact O-N 3.31Å; A560-R563 PolarHBondContact O-N 3.41Å; A560-A564 PolarHBondContact O-N 3.05Å; A560-V586 HydrophobicContact CB-CG1 3.86Å; A560-D590 HydrophobicContact CB-CB 4.1Å; A560-L591 HydrophobicContact CB-CD2 3.73Å; A560-L591 HydrophobicContact CB-CG 4.13Å; A560-A594 HydrophobicContact CB-CB 4.09Å
561	G	90.5	Very high	87.1	Confident	22 Å²	22	53.4 Å²	53.4	23%	0.227	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-44.4	172.2	0	0	0	0	0	112.8	C557 K558 R563 A564 L565	C557-G561 PolarHBondContact O-N 3.41Å; K558-G561 PolarHBondContact O-N 3.21Å; G561-R563 VanDerWaalsContact C-N 3.33Å; G561-R563 PolarHBondContact O-N 3.18Å; G561-A564 PolarHBondContact O-N 3Å; G561-L565 WeakPolarHBondContact O-CB 3.43Å; G561-L565 PolarHBondContact O-N 2.93Å
562	L	90.1	Very high	85.4	Confident	61 Å²	61	53.4 Å²	53.4	32%	0.319	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-35.1	177.1	-173.6	59.2	0	0	0	112.1	K558 E559 R566	K558-L562 WeakPolarHBondContact O-CB 3.18Å; K558-L562 PolarHBondContact O-N 3.39Å; E559-L562 PolarHBondContact O-N 3.43Å; L562-R566 WeakPolarHBondContact O-CB 3.48Å; L562-R566 VanDerWaalsContact O-CG 3.26Å; L562-R566 WeakPolarHBondContact O-CG 3.36Å; L562-R566 PolarHBondContact O-N 2.8Å
563	R	90.6	Very high	83.8	Confident	76 Å²	76	62 Å²	62	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-68.5	-43.6	173	-171.1	-179.9	-166.2	-133.8	18.5	112.3	E559 A560 G561 L565 R566 R567 Q589 D590 W593	E559-R563 WeakPolarHBondContact O-CB 3.25Å; E559-R563 PolarHBondContact O-N 3.47Å; A560-R563 PolarHBondContact O-N 3.41Å; G561-R563 VanDerWaalsContact C-N 3.33Å; G561-R563 PolarHBondContact O-N 3.18Å; R563-L565 VanDerWaalsContact C-N 3.29Å; R563-L565 PolarHBondContact O-N 3.44Å; R563-R566 PolarHBondContact O-N 2.8Å; R563-R567 WeakPolarHBondContact O-CB 3.48Å; R563-R567 PolarHBondContact O-N 3Å; R563-Q589 PolarHBondContact NH1-O 2.65Å; R563-Q589 VanDerWaalsContact NH1-O 3.08Å; R563-D590 VanDerWaalsContact CD-OD1 3.3Å; R563-D590 WeakPolarHBondContact CD-OD1 3.27Å; R563-D590 IonicContact CZ-OD1 3.22Å; R563-D590 IonicContact NE-OD1 3.95Å; R563-D590 IonicContact NH1-OD1 2.75Å; R563-D590 PolarHBondContact NH1-OD1 3.26Å; R563-W593 HydrophobicContact CB-CE3 4.33Å; R563-W593 HydrophobicContact CB-CZ3 4.18Å; R563-W593 VanDerWaalsContact CD-CE3 3.44Å; R563-W593 HydrophobicContact CG-CE3 4.38Å; R563-W593 HydrophobicContact CG-CZ3 4.47Å; R563-W593 VanDerWaalsContact CZ-CG 3.45Å
564	A	89.1	Confident	82.1	Confident	2 Å²	2	70.9 Å²	70.9	2%	0.017	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-41.3	174.3	0	0	0	0	0	111.3	A560 G561 R567 A568 V584 V586	A560-A564 PolarHBondContact O-N 3.05Å; G561-A564 PolarHBondContact O-N 3Å; A564-R567 WeakPolarHBondContact O-CB 3.36Å; A564-R567 PolarHBondContact O-N 3.47Å; A564-A568 PolarHBondContact O-N 3.49Å; A564-V584 HydrophobicContact CB-CG1 3.81Å; A564-V586 HydrophobicContact CB-CG2 4.19Å
565	L	87.3	Confident	80.4	Confident	69 Å²	69	70.5 Å²	70.5	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.8	-174.1	65.1	0	0	0	112.3	G561 R563 R567 A568 L569 V584	G561-L565 WeakPolarHBondContact O-CB 3.43Å; G561-L565 PolarHBondContact O-N 2.93Å; R563-L565 VanDerWaalsContact C-N 3.29Å; R563-L565 PolarHBondContact O-N 3.44Å; L565-R567 VanDerWaalsContact C-N 3.27Å; L565-R567 PolarHBondContact O-N 2.93Å; L565-A568 PolarHBondContact O-N 3.44Å; L565-A568 VanDerWaalsContact O-N 3.16Å; L565-L569 HydrophobicContact CD1-CD1 4.28Å; L565-L569 HydrophobicContact CD1-CG 4.43Å; L565-L569 HydrophobicContact CG-CD1 3.91Å; L565-L569 HydrophobicContact CG-CG 4.46Å; L565-L569 WeakPolarHBondContact O-CB 3.43Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 2.69Å; L565-V584 HydrophobicContact CD1-CG2 4.11Å
566	R	87.1	Confident	78.9	Confident	135 Å²	135	71.5 Å²	71.5	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-38.2	173.4	-75.5	171.3	-176.9	143.6	-0.6	112	L562 R563 G570	L562-R566 WeakPolarHBondContact O-CB 3.48Å; L562-R566 VanDerWaalsContact O-CG 3.26Å; L562-R566 WeakPolarHBondContact O-CG 3.36Å; L562-R566 PolarHBondContact O-N 2.8Å; R563-R566 PolarHBondContact O-N 2.8Å; R566-G570 PolarHBondContact O-N 2.68Å
567	R	84.6	Confident	77.7	Confident	123 Å²	123	77.5 Å²	77.5	46%	0.464	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-40	175.4	174.2	167.6	55.7	84	-2.4	111.9	R563 A564 L565 V571 T585 D590	R563-R567 WeakPolarHBondContact O-CB 3.48Å; R563-R567 PolarHBondContact O-N 3Å; A564-R567 WeakPolarHBondContact O-CB 3.36Å; A564-R567 PolarHBondContact O-N 3.47Å; L565-R567 VanDerWaalsContact C-N 3.27Å; L565-R567 PolarHBondContact O-N 2.93Å; R567-V571 WeakPolarHBondContact O-CG2 3.47Å; R567-T585 PolarHBondContact NH2-O 3.03Å; R567-D590 IonicContact CZ-OD2 3.04Å; R567-D590 IonicContact NE-OD2 2.72Å; R567-D590 IonicContact NH2-OD2 2.62Å; R567-D590 PolarHBondContact NH2-OD2 3.43Å; R567-D590 VanDerWaalsContact NH2-OD2 3.12Å
568	A	81.1	Confident	76.4	Confident	24 Å²	24	85 Å²	85	20%	0.198	44%	0.441	C	S	.	.	H	α-helix	trans	-69.8	-46.1	175.6	0	0	0	0	0	112.6	A564 L565 V571 L580 V584	A564-A568 PolarHBondContact O-N 3.49Å; L565-A568 PolarHBondContact O-N 3.44Å; L565-A568 VanDerWaalsContact O-N 3.16Å; A568-V571 PolarHBondContact O-N 3.37Å; A568-L580 HydrophobicContact CB-CD2 4Å; A568-V584 HydrophobicContact CB-CG2 3.78Å
569	L	78.9	Confident	75	Confident	77 Å²	77	83.9 Å²	83.9	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-67.4	-36.9	179.1	-69.9	170.8	0	0	0	113	L565 V571 S572 L580	L565-L569 HydrophobicContact CD1-CD1 4.28Å; L565-L569 HydrophobicContact CD1-CG 4.43Å; L565-L569 HydrophobicContact CG-CD1 3.91Å; L565-L569 HydrophobicContact CG-CG 4.46Å; L565-L569 WeakPolarHBondContact O-CB 3.43Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 2.69Å; L569-V571 PolarHBondContact O-N 3.01Å; L569-S572 CarbonylContact O-C 3.56Å; L569-S572 PolarHBondContact O-N 3.15Å; L569-S572 VanDerWaalsContact O-N 3.12Å; L569-L580 HydrophobicContact CD2-CD1 3.57Å; L569-L580 HydrophobicContact CD2-CD2 4.43Å
570	G	69.4	Low	73.7	Confident	58 Å²	58	82.6 Å²	82.6	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-66.1	-20.6	178.1	0	0	0	0	0	114.1	R566	R566-G570 PolarHBondContact O-N 2.68Å
571	V	60.8	Low	72.1	Confident	126 Å²	126	90.1 Å²	90.1	76%	0.764	47%	0.469	S	S	*	.	H	α-helix	trans	-86.8	-20.5	174.8	174.2	0	0	0	0	111.9	R567 A568 L569	R567-V571 WeakPolarHBondContact O-CG2 3.47Å; A568-V571 PolarHBondContact O-N 3.37Å; L569-V571 PolarHBondContact O-N 3.01Å
572	S	55.9	Low	71	Confident	51 Å²	51	92.3 Å²	92.3	36%	0.357	49%	0.492	S	S	.	.			trans	-144.9	93.4	177.3	-171.8	0	0	0	0	112	L569 Q574 A575	L569-S572 CarbonylContact O-C 3.56Å; L569-S572 PolarHBondContact O-N 3.15Å; L569-S572 VanDerWaalsContact O-N 3.12Å; S572-Q574 PolarHBondContact O-N 3.5Å; S572-A575 PolarHBondContact O-N 3.17Å; S572-A575 WeakPolarHBondContact OG-CB 3.47Å; S572-A575 PolarHBondContact OG-N 3.33Å
573	Q	57.1	Low	70.1	Confident	187 Å²	187	93.8 Å²	93.8	87%	0.874	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	2.9	177	-73.1	164.5	-33	0	0	113.9
574	Q	54.6	Low	69.6	Low	189 Å²	189	91.7 Å²	91.7	88%	0.883	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	25.7	175.4	-64.1	-170.3	-16.3	0	0	112.9	S572	S572-Q574 PolarHBondContact O-N 3.5Å
575	A	55.7	Low	69.6	Low	26 Å²	26	94.5 Å²	94.5	22%	0.215	52%	0.516	C	S	.	.			trans	-66.7	136.7	173	0	0	0	0	0	111.3	S572 L580	S572-A575 PolarHBondContact O-N 3.17Å; S572-A575 WeakPolarHBondContact OG-CB 3.47Å; S572-A575 PolarHBondContact OG-N 3.33Å; A575-L580 HydrophobicContact CB-CD1 4.03Å; A575-L580 HydrophobicContact CB-CD2 4.19Å; A575-L580 HydrophobicContact CB-CG 4.01Å
576	S	61.8	Low	69.7	Low	56 Å²	56	91.3 Å²	91.3	39%	0.392	50%	0.5	S	S	.	.			trans	-73.8	144.6	169.7	63.5	0	0	0	0	110.8	Q578 Q579 L580	S576-Q578 PolarHBondContact O-N 2.86Å; S576-Q579 PolarHBondContact O-N 3.27Å; S576-Q579 WeakPolarHBondContact OG-CG 3.36Å; S576-Q579 PolarHBondContact OG-OE1 2.93Å; S576-L580 PolarHBondContact O-N 2.91Å
577	D	67	Low	69.8	Low	128 Å²	128	86 Å²	86	68%	0.684	48%	0.484	S	S	*	.	H	α-helix	trans	-53.7	-32.2	-178.4	-65.8	-30.9	0	0	0	112.9	Q579 L580 M581	D577-Q579 VanDerWaalsContact C-N 3.31Å; D577-Q579 PolarHBondContact O-N 2.96Å; D577-L580 PolarHBondContact O-N 3.47Å; D577-M581 WeakPolarHBondContact O-CG 3.49Å; D577-M581 PolarHBondContact O-N 3.16Å
578	Q	65.8	Low	70	Confident	173 Å²	173	81.1 Å²	81.1	81%	0.808	47%	0.466	S	S	*	.	H	α-helix	trans	-67.3	-25	178.1	-66.6	-178.7	-13.1	0	0	113.9	S576	S576-Q578 PolarHBondContact O-N 2.86Å
579	Q	62.3	Low	70.5	Confident	128 Å²	128	86.8 Å²	86.8	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-87.7	-20	176.8	-67.2	171.1	-58.8	0	0	112.8	S576 D577 T583	S576-Q579 PolarHBondContact O-N 3.27Å; S576-Q579 WeakPolarHBondContact OG-CG 3.36Å; S576-Q579 PolarHBondContact OG-OE1 2.93Å; D577-Q579 VanDerWaalsContact C-N 3.31Å; D577-Q579 PolarHBondContact O-N 2.96Å; Q579-T583 WeakPolarHBondContact O-CG2 3.31Å; Q579-T583 PolarHBondContact O-OG1 2.66Å
580	L	64.9	Low	71.1	Confident	24 Å²	24	83.3 Å²	83.3	13%	0.126	47%	0.47	C	S	.	.	H	α-helix	trans	-83.7	-26.2	175.7	-67.2	164.4	0	0	0	111.9	A568 L569 A575 S576 D577 G582 T583	A568-L580 HydrophobicContact CB-CD2 4Å; L569-L580 HydrophobicContact CD2-CD1 3.57Å; L569-L580 HydrophobicContact CD2-CD2 4.43Å; A575-L580 HydrophobicContact CB-CD1 4.03Å; A575-L580 HydrophobicContact CB-CD2 4.19Å; A575-L580 HydrophobicContact CB-CG 4.01Å; S576-L580 PolarHBondContact O-N 2.91Å; D577-L580 PolarHBondContact O-N 3.47Å; L580-G582 PolarHBondContact O-N 3.04Å; L580-T583 WeakPolarHBondContact CA-OG1 3.31Å; L580-T583 PolarHBondContact O-N 3.2Å; L580-T583 PolarHBondContact O-OG1 2.91Å
581	M	59.3	Low	72.1	Confident	157 Å²	157	80.5 Å²	80.5	77%	0.773	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	107.2	172.6	-69.3	-98.1	174.9	0	0	110.9	D577	D577-M581 WeakPolarHBondContact O-CG 3.49Å; D577-M581 PolarHBondContact O-N 3.16Å
582	G	67.1	Low	73.5	Confident	69 Å²	69	79.5 Å²	79.5	71%	0.711	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-10.3	175.1	0	0	0	0	0	116.3	L580	L580-G582 PolarHBondContact O-N 3.04Å
583	T	71.8	Confident	75.2	Confident	92 Å²	92	80.8 Å²	80.8	56%	0.564	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-25.7	174.6	50.9	0	0	0	0	112.9	Q579 L580 T585	Q579-T583 WeakPolarHBondContact O-CG2 3.31Å; Q579-T583 PolarHBondContact O-OG1 2.66Å; L580-T583 WeakPolarHBondContact CA-OG1 3.31Å; L580-T583 PolarHBondContact O-N 3.2Å; L580-T583 PolarHBondContact O-OG1 2.91Å; T583-T585 PolarHBondContact O-N 3.39Å
584	V	80.9	Confident	76.9	Confident	31 Å²	31	71.9 Å²	71.9	19%	0.188	38%	0.384	C	S	.	.			trans	-74.8	110	178.6	-174	0	0	0	0	110.4	A564 L565 A568	A564-V584 HydrophobicContact CB-CG1 3.81Å; L565-V584 HydrophobicContact CD1-CG2 4.11Å; A568-V584 HydrophobicContact CB-CG2 3.78Å
585	T	87.7	Confident	78.5	Confident	61 Å²	61	64.5 Å²	64.5	37%	0.374	35%	0.35	S	S	.	.			trans	-117.9	134.3	174.3	44.8	0	0	0	0	111	P530 R567 T583	P530-T585 HydrophobicContact CB-CG2 4.07Å; P530-T585 WeakPolarHBondContact O-CA 3.25Å; R567-T585 PolarHBondContact NH2-O 3.03Å; T583-T585 PolarHBondContact O-N 3.39Å
586	V	89.9	Confident	80	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-82.1	122.7	177.2	-179.3	0	0	0	0	109.5	V529 P530 C531 S532 A560 A564 D590 L591	V529-V586 HydrophobicContact CG1-CB 4.47Å; V529-V586 HydrophobicContact CG1-CG2 3.66Å; P530-V586 PolarHBondContact O-N 2.96Å; C531-V586 WeakPolarHBondContact CA-O 3.48Å; C531-V586 PolarHBondContact SG-O 2.79Å; S532-V586 PolarHBondContact N-O 3.41Å; A560-V586 HydrophobicContact CB-CG1 3.86Å; A564-V586 HydrophobicContact CB-CG2 4.19Å; V586-D590 HydrophobicContact CG1-CB 4.37Å; V586-L591 HydrophobicContact CG1-CD2 4.48Å; V586-L591 HydrophobicContact CG1-CG 4.19Å
587	S	89.9	Confident	81.3	Confident	23 Å²	23	69.3 Å²	69.3	16%	0.161	37%	0.374	C	S	.	.			trans	-97.1	160.4	179	74.1	0	0	0	0	112.4	Q589 D590 L591	S587-Q589 PolarHBondContact O-N 2.59Å; S587-D590 PolarHBondContact N-OD2 2.54Å; S587-D590 WeakPolarHBondContact O-CB 3.29Å; S587-D590 PolarHBondContact O-N 3.09Å; S587-D590 PolarHBondContact OG-N 3.23Å; S587-D590 PolarHBondContact OG-OD2 3.06Å; S587-L591 PolarHBondContact O-N 2.9Å
588	M	88.9	Confident	82.3	Confident	21 Å²	21	64.1 Å²	64.1	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-32.6	172.9	-176.6	56.3	171.3	0	0	112.5	E537 L541 D590 L591 Q592	E537-M588 HydrophobicContact CB-CE 3.93Å; E537-M588 HydrophobicContact CB-CG 4.35Å; E537-M588 HydrophobicContact CB-SD 4.02Å; E537-M588 VanDerWaalsContact O-CE 3.3Å; E537-M588 WeakPolarHBondContact O-CE 3.26Å; L541-M588 HydrophobicContact CB-CE 4.14Å; L541-M588 HydrophobicContact CD1-CE 3.8Å; L541-M588 HydrophobicContact CD1-SD 4.15Å; M588-D590 VanDerWaalsContact C-N 3.3Å; M588-D590 PolarHBondContact O-N 3.35Å; M588-L591 PolarHBondContact O-N 3.14Å; M588-Q592 HydrophobicContact CE-CG 4.23Å; M588-Q592 WeakPolarHBondContact O-CG 3.28Å; M588-Q592 PolarHBondContact O-N 3.21Å; M588-Q592 HydrophobicContact SD-CG 4.48Å
589	Q	89.8	Confident	83.1	Confident	142 Å²	142	63.3 Å²	63.3	66%	0.664	34%	0.341	S	S	*	.	H	α-helix	trans	-68.6	-27.3	175.9	-61.8	179.4	4.5	0	0	113	R563 S587 W593	R563-Q589 PolarHBondContact NH1-O 2.65Å; R563-Q589 VanDerWaalsContact NH1-O 3.08Å; S587-Q589 PolarHBondContact O-N 2.59Å; Q589-W593 WeakPolarHBondContact O-CB 3.32Å; Q589-W593 PolarHBondContact O-N 3.44Å
590	D	91.4	Very high	83.9	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-75.7	-38.4	175.2	-62.2	-47.5	0	0	0	110.8	A560 R563 R567 V586 S587 M588 A594	A560-D590 HydrophobicContact CB-CB 4.1Å; R563-D590 VanDerWaalsContact CD-OD1 3.3Å; R563-D590 WeakPolarHBondContact CD-OD1 3.27Å; R563-D590 IonicContact CZ-OD1 3.22Å; R563-D590 IonicContact NE-OD1 3.95Å; R563-D590 IonicContact NH1-OD1 2.75Å; R563-D590 PolarHBondContact NH1-OD1 3.26Å; R567-D590 IonicContact CZ-OD2 3.04Å; R567-D590 IonicContact NE-OD2 2.72Å; R567-D590 IonicContact NH2-OD2 2.62Å; R567-D590 PolarHBondContact NH2-OD2 3.43Å; R567-D590 VanDerWaalsContact NH2-OD2 3.12Å; V586-D590 HydrophobicContact CG1-CB 4.37Å; S587-D590 PolarHBondContact N-OD2 2.54Å; S587-D590 WeakPolarHBondContact O-CB 3.29Å; S587-D590 PolarHBondContact O-N 3.09Å; S587-D590 PolarHBondContact OG-N 3.23Å; S587-D590 PolarHBondContact OG-OD2 3.06Å; M588-D590 VanDerWaalsContact C-N 3.3Å; M588-D590 PolarHBondContact O-N 3.35Å; D590-A594 WeakPolarHBondContact O-CB 3.48Å; D590-A594 PolarHBondContact O-N 3.28Å
591	L	90.6	Very high	84.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-49.1	173.4	-70.4	167.7	0	0	0	112.2	L526 A533 L538 L541 V556 A560 V586 S587 M588 W593 A594 M595	L526-L591 HydrophobicContact CD1-CD1 4.15Å; A533-L591 HydrophobicContact CB-CD1 4.41Å; L538-L591 HydrophobicContact CD2-CD1 4.07Å; L541-L591 HydrophobicContact CD1-CB 4.36Å; L541-L591 HydrophobicContact CD2-CB 3.9Å; L541-L591 HydrophobicContact CD2-CD1 4.28Å; L541-L591 HydrophobicContact CD2-CD2 4.47Å; L541-L591 HydrophobicContact CD2-CG 4.45Å; V556-L591 HydrophobicContact CG1-CD2 4.25Å; A560-L591 HydrophobicContact CB-CD2 3.73Å; A560-L591 HydrophobicContact CB-CG 4.13Å; V586-L591 HydrophobicContact CG1-CD2 4.48Å; V586-L591 HydrophobicContact CG1-CG 4.19Å; S587-L591 PolarHBondContact O-N 2.9Å; M588-L591 PolarHBondContact O-N 3.14Å; L591-W593 VanDerWaalsContact C-N 3.3Å; L591-W593 PolarHBondContact O-N 2.95Å; L591-A594 PolarHBondContact O-N 3.29Å; L591-A594 VanDerWaalsContact O-N 3.1Å; L591-M595 PolarHBondContact O-N 2.8Å; L591-M595 VanDerWaalsContact O-N 3.14Å
592	Q	90.7	Very high	84.3	Confident	104 Å²	104	52 Å²	52	49%	0.486	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-40.4	176.4	-74.3	176	-14	0	0	112.2	L541 M588	L541-Q592 HydrophobicContact CD1-CG 4.07Å; M588-Q592 HydrophobicContact CE-CG 4.23Å; M588-Q592 WeakPolarHBondContact O-CG 3.28Å; M588-Q592 PolarHBondContact O-N 3.21Å; M588-Q592 HydrophobicContact SD-CG 4.48Å
593	W	92.3	Very high	84	Confident	79 Å²	79	51.3 Å²	51.3	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-65.5	-42.6	174	176.5	86.9	0	0	0	112	E559 R563 Q589 L591 M595 T596 V597	E559-W593 HydrophobicContact CB-CZ3 4.47Å; R563-W593 HydrophobicContact CB-CE3 4.33Å; R563-W593 HydrophobicContact CB-CZ3 4.18Å; R563-W593 VanDerWaalsContact CD-CE3 3.44Å; R563-W593 HydrophobicContact CG-CE3 4.38Å; R563-W593 HydrophobicContact CG-CZ3 4.47Å; R563-W593 VanDerWaalsContact CZ-CG 3.45Å; Q589-W593 WeakPolarHBondContact O-CB 3.32Å; Q589-W593 PolarHBondContact O-N 3.44Å; L591-W593 VanDerWaalsContact C-N 3.3Å; L591-W593 PolarHBondContact O-N 2.95Å; W593-M595 PolarHBondContact O-N 3.5Å; W593-T596 WeakPolarHBondContact O-CB 3.17Å; W593-T596 PolarHBondContact O-N 2.9Å; W593-T596 PolarHBondContact O-OG1 3.02Å; W593-V597 HydrophobicContact CD2-CG2 4.12Å; W593-V597 HydrophobicContact CE3-CG2 4.13Å; W593-V597 HydrophobicContact CH2-CG2 3.76Å; W593-V597 HydrophobicContact CZ2-CG2 3.69Å; W593-V597 HydrophobicContact CZ3-CG2 3.98Å; W593-V597 PolarHBondContact O-N 3.48Å
594	A	92.6	Very high	83.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-33.1	-179.5	0	0	0	0	0	112.5	V556 E559 A560 D590 L591 T596 V597 V598	V556-A594 HydrophobicContact CB-CB 4.47Å; V556-A594 HydrophobicContact CG1-CB 3.91Å; V556-A594 WeakPolarHBondContact O-CB 3.44Å; E559-A594 HydrophobicContact CB-CB 3.93Å; A560-A594 HydrophobicContact CB-CB 4.09Å; D590-A594 WeakPolarHBondContact O-CB 3.48Å; D590-A594 PolarHBondContact O-N 3.28Å; L591-A594 PolarHBondContact O-N 3.29Å; L591-A594 VanDerWaalsContact O-N 3.1Å; A594-T596 PolarHBondContact O-N 3.09Å; A594-V597 PolarHBondContact O-N 3.3Å; A594-V597 VanDerWaalsContact O-N 3.12Å; A594-V598 WeakPolarHBondContact O-CG2 3.22Å; A594-V598 PolarHBondContact O-N 2.58Å
595	M	88.1	Confident	82	Confident	33 Å²	33	59.5 Å²	59.5	16%	0.163	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-20.4	171.5	-61.6	-177.6	94.3	0	0	114.4	L541 A544 A545 Y548 V556 L591 W593	L541-M595 HydrophobicContact CD1-CG 4.47Å; L541-M595 HydrophobicContact CD1-SD 3.34Å; L541-M595 WeakPolarHBondContact CD1-SD 3.45Å; L541-M595 HydrophobicContact CD2-SD 4.39Å; L541-M595 HydrophobicContact CG-CE 4.34Å; L541-M595 HydrophobicContact CG-SD 3.62Å; A544-M595 HydrophobicContact CB-CE 4.47Å; A545-M595 HydrophobicContact CB-CE 3.5Å; Y548-M595 HydrophobicContact CE2-CE 4.3Å; Y548-M595 PolarHBondContact OH-O 3.11Å; Y548-M595 VanDerWaalsContact OH-O 3.09Å; V556-M595 HydrophobicContact CG1-CG 4.1Å; V556-M595 HydrophobicContact CG2-CG 4.37Å; L591-M595 PolarHBondContact O-N 2.8Å; L591-M595 VanDerWaalsContact O-N 3.14Å; W593-M595 PolarHBondContact O-N 3.5Å
596	T	87.3	Confident	80.3	Confident	111 Å²	111	57.5 Å²	57.5	68%	0.681	28%	0.283	S	S	*	.	H	α-helix	trans	-81.2	-20.5	173.5	70.7	0	0	0	0	112.7	W593 A594	W593-T596 WeakPolarHBondContact O-CB 3.17Å; W593-T596 PolarHBondContact O-N 2.9Å; W593-T596 PolarHBondContact O-OG1 3.02Å; A594-T596 PolarHBondContact O-N 3.09Å
597	V	88.3	Confident	78.5	Confident	72 Å²	72	62.2 Å²	62.2	44%	0.436	32%	0.323	S	S	.	.	H	α-helix	trans	-96.1	-45.8	-178.3	179.8	0	0	0	0	111.1	W593 A594 K599	W593-V597 HydrophobicContact CD2-CG2 4.12Å; W593-V597 HydrophobicContact CE3-CG2 4.13Å; W593-V597 HydrophobicContact CH2-CG2 3.76Å; W593-V597 HydrophobicContact CZ2-CG2 3.69Å; W593-V597 HydrophobicContact CZ3-CG2 3.98Å; W593-V597 PolarHBondContact O-N 3.48Å; A594-V597 PolarHBondContact O-N 3.3Å; A594-V597 VanDerWaalsContact O-N 3.12Å; V597-K599 PolarHBondContact O-N 3.27Å
598	V	88.3	Confident	77	Confident	20 Å²	20	62 Å²	62	12%	0.121	32%	0.319	C	S	.	.	S	Bend	trans	-78.9	119	179.3	-179.6	0	0	0	0	109.3	Y548 D552 A555 V556 E559 A594	Y548-V598 HydrophobicContact CE1-CG1 4.26Å; Y548-V598 PolarHBondContact OH-O 3.25Å; D552-V598 HydrophobicContact CB-CG1 4.47Å; A555-V598 HydrophobicContact CB-CG1 4.18Å; A555-V598 HydrophobicContact CB-CG2 4.31Å; V556-V598 HydrophobicContact CG2-CB 3.82Å; V556-V598 HydrophobicContact CG2-CG1 4.02Å; V556-V598 HydrophobicContact CG2-CG2 4Å; E559-V598 HydrophobicContact CG-CG2 4.13Å; A594-V598 WeakPolarHBondContact O-CG2 3.22Å; A594-V598 PolarHBondContact O-N 2.58Å
599	K	82.3	Confident	75.6	Confident	155 Å²	155	64.4 Å²	64.4	67%	0.674	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-91.8	128.2	171.8	-66.1	-176.1	-179.5	-179.8	0	110.2	V597 R604	V597-K599 PolarHBondContact O-N 3.27Å; K599-R604 PolarHBondContact O-NH2 3.02Å
600	P	79.7	Confident	74.5	Confident	20 Å²	20	61.3 Å²	61.3	13%	0.13	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-58.2	138.9	-178.8	21.3	-31.7	0	0	0	112.2	G547 Y548 D552 M603	G547-P600 WeakPolarHBondContact O-CB 3.33Å; Y548-P600 HydrophobicContact CD2-CB 3.82Å; Y548-P600 HydrophobicContact CD2-CG 4.16Å; Y548-P600 HydrophobicContact CE2-CB 4.03Å; Y548-P600 HydrophobicContact CE2-CG 3.93Å; Y548-P600 HydrophobicContact CG-CB 4.1Å; D552-P600 WeakPolarHBondContact OD2-CA 3.34Å; P600-M603 HydrophobicContact CB-CG 4.33Å; P600-M603 HydrophobicContact CB-SD 4.49Å; P600-M603 HydrophobicContact CG-CB 4.12Å; P600-M603 HydrophobicContact CG-CG 3.84Å; P600-M603 HydrophobicContact CG-SD 3.51Å; P600-M603 VanDerWaalsContact CG-SD 3.51Å
601	S	70.3	Confident	73.4	Confident	35 Å²	35	61.2 Å²	61.2	25%	0.245	32%	0.323	C	S	.	.	S	Bend	trans	-76.8	-31.1	-175	-65.9	0	0	0	0	112.5	D552 M603 R604	D552-S601 VanDerWaalsContact CG-N 3.31Å; D552-S601 VanDerWaalsContact OD1-CB 3.22Å; D552-S601 WeakPolarHBondContact OD1-CB 3.36Å; D552-S601 PolarHBondContact OD1-N 2.88Å; D552-S601 PolarHBondContact OD1-OG 2.86Å; D552-S601 PolarHBondContact OD2-N 2.75Å; S601-M603 VanDerWaalsContact C-N 3.3Å; S601-M603 PolarHBondContact O-N 3.23Å; S601-R604 VanDerWaalsContact O-CB 3.23Å; S601-R604 WeakPolarHBondContact O-CB 3.34Å; S601-R604 PolarHBondContact O-N 2.92Å
602	A	63.2	Low	72.6	Confident	17 Å²	17	70.7 Å²	70.7	14%	0.14	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-35.7	175.2	0	0	0	0	0	112	V512 G547 R604	V512-A602 HydrophobicContact CG2-CB 4.2Å; G547-A602 VanDerWaalsContact O-CB 3.28Å; G547-A602 WeakPolarHBondContact O-CB 3.43Å; A602-R604 PolarHBondContact O-N 3.09Å
603	M	61.1	Low	72.3	Confident	55 Å²	55	67.1 Å²	67.1	27%	0.271	35%	0.349	S	S	.	.	H	α-helix	trans	-77.1	-1.2	173.5	-53.4	-176.8	95	0	0	113.2	P600 S601 V606 I608 V610	P600-M603 HydrophobicContact CB-CG 4.33Å; P600-M603 HydrophobicContact CB-SD 4.49Å; P600-M603 HydrophobicContact CG-CB 4.12Å; P600-M603 HydrophobicContact CG-CG 3.84Å; P600-M603 HydrophobicContact CG-SD 3.51Å; P600-M603 VanDerWaalsContact CG-SD 3.51Å; S601-M603 VanDerWaalsContact C-N 3.3Å; S601-M603 PolarHBondContact O-N 3.23Å; M603-V606 CarbonylContact C-O 3.58Å; M603-V606 WeakPolarHBondContact CA-O 3.35Å; M603-I608 HydrophobicContact CE-CB 3.81Å; M603-I608 HydrophobicContact CE-CD1 4.4Å; M603-I608 HydrophobicContact CE-CG2 3.99Å; M603-V610 HydrophobicContact CE-CG2 4.28Å
604	R	56.9	Low	72	Confident	178 Å²	178	65.9 Å²	65.9	67%	0.672	35%	0.352	S	S	*	.	H	α-helix	trans	-87.3	-26.4	174.6	-158.2	177	-60.1	174	7.1	112.4	K599 S601 A602	K599-R604 PolarHBondContact O-NH2 3.02Å; S601-R604 VanDerWaalsContact O-CB 3.23Å; S601-R604 WeakPolarHBondContact O-CB 3.34Å; S601-R604 PolarHBondContact O-N 2.92Å; A602-R604 PolarHBondContact O-N 3.09Å
605	E	52.9	Low	71.7	Confident	116 Å²	116	66.9 Å²	66.9	54%	0.542	36%	0.356	S	S	.	.	H	α-helix	trans	-90.1	-17.8	172.3	-64.2	-166.3	159.5	0	0	113.4
606	V	52.6	Low	71.6	Confident	20 Å²	20	70 Å²	70	12%	0.121	38%	0.381	C	S	.	.	S	Bend	trans	-130.2	110.3	178.3	-165.9	0	0	0	0	108.4	M603 I608 L679 K704	M603-V606 CarbonylContact C-O 3.58Å; M603-V606 WeakPolarHBondContact CA-O 3.35Å; V606-I608 HydrophobicContact CB-CD1 4.36Å; V606-I608 HydrophobicContact CB-CG1 4.07Å; V606-I608 HydrophobicContact CG1-CD1 4.26Å; V606-I608 HydrophobicContact CG1-CG1 3.68Å; V606-I608 PolarHBondContact O-N 2.77Å; V606-L679 HydrophobicContact CG1-CD2 4.16Å; V606-L679 HydrophobicContact CG1-CG 4.46Å; V606-K704 HydrophobicContact CG1-CB 4.34Å; V606-K704 HydrophobicContact CG1-CD 4.25Å; V606-K704 HydrophobicContact CG2-CB 4.15Å; V606-K704 HydrophobicContact CG2-CD 3.76Å; V606-K704 HydrophobicContact CG2-CG 3.76Å
607	A	50.5	Low	71.5	Confident	102 Å²	102	69.5 Å²	69.5	84%	0.843	37%	0.374	S	S	*	.			trans	-71.4	74.4	174.9	0	0	0	0	0	110.6	D609	A607-D609 PolarHBondContact O-N 3.46Å
608	I	58.9	Low	71.4	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	36%	0.356	C	S	.	.			trans	-76.1	101.4	173.9	-58.4	171	0	0	0	106.7	M603 V606 V610 N677 L679 V708	M603-I608 HydrophobicContact CE-CB 3.81Å; M603-I608 HydrophobicContact CE-CD1 4.4Å; M603-I608 HydrophobicContact CE-CG2 3.99Å; V606-I608 HydrophobicContact CB-CD1 4.36Å; V606-I608 HydrophobicContact CB-CG1 4.07Å; V606-I608 HydrophobicContact CG1-CD1 4.26Å; V606-I608 HydrophobicContact CG1-CG1 3.68Å; V606-I608 PolarHBondContact O-N 2.77Å; I608-V610 HydrophobicContact CG2-CG2 4.48Å; I608-V610 PolarHBondContact O-N 3.32Å; I608-N677 HydrophobicContact CD1-CB 4.49Å; I608-N677 HydrophobicContact CG2-CB 4.15Å; I608-L679 HydrophobicContact CG1-CD1 4.4Å; I608-V708 HydrophobicContact CD1-CB 4.43Å; I608-V708 HydrophobicContact CD1-CG1 3.65Å; I608-V708 HydrophobicContact CD1-CG2 4.37Å
609	D	60.1	Low	71.1	Confident	71 Å²	71	68.7 Å²	68.7	38%	0.38	38%	0.383	S	S	.	.			trans	-71.2	109	169	178.9	31	0	0	0	107.3	A607 P611 K668 F678	A607-D609 PolarHBondContact O-N 3.46Å; D609-P611 WeakPolarHBondContact O-CD 3.39Å; D609-K668 IonicContact OD2-NZ 3.37Å; D609-K668 PolarHBondContact OD2-NZ 2.84Å; D609-F678 WeakPolarHBondContact O-CB 3.33Å
610	V	65.9	Low	71.3	Confident	77 Å²	77	64 Å²	64	47%	0.467	38%	0.379	S	S	.	.			trans	-83.1	100.8	164.4	-179.3	0	0	0	0	106.3	M603 I608 K612	M603-V610 HydrophobicContact CE-CG2 4.28Å; I608-V610 HydrophobicContact CG2-CG2 4.48Å; I608-V610 PolarHBondContact O-N 3.32Å; V610-K612 PolarHBondContact O-N 2.91Å
611	P	68.3	Low	71.5	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.019	39%	0.394	C	S	.	.			trans	-68	131.6	-172.4	27.5	-34.9	0	0	0	110.5	D609 V613 K668 A671 N672 F678	D609-P611 WeakPolarHBondContact O-CD 3.39Å; P611-V613 PolarHBondContact O-N 3.24Å; P611-K668 HydrophobicContact CB-CB 3.57Å; P611-K668 HydrophobicContact CB-CD 4.1Å; P611-K668 HydrophobicContact CB-CG 3.69Å; P611-K668 HydrophobicContact CG-CB 3.83Å; P611-K668 HydrophobicContact CG-CG 4.06Å; P611-K668 WeakPolarHBondContact CG-O 3.48Å; P611-A671 HydrophobicContact CG-CB 4.38Å; P611-N672 HydrophobicContact CG-CB 4.36Å; P611-N672 VanDerWaalsContact O-CB 3.27Å; P611-N672 WeakPolarHBondContact O-CB 3.08Å; P611-N672 PolarHBondContact O-ND2 3.42Å; P611-N672 PolarHBondContact O-OD1 2.69Å; P611-F678 HydrophobicContact CG-CD1 4.33Å
612	K	75	Confident	72.3	Confident	198 Å²	198	69.3 Å²	69.3	86%	0.861	41%	0.413	S	S	*	.			trans	-75.3	9.3	178.6	-58.7	-177.7	-179.6	-179.3	0	114.4	V610	V610-K612 PolarHBondContact O-N 2.91Å
613	V	84.9	Confident	73.6	Confident	30 Å²	30	74.6 Å²	74.6	18%	0.182	43%	0.434	C	S	.	.			trans	-88.5	132.9	-171.9	-172.4	0	0	0	0	109.2	P611 D617 V618 M665 K668 A669 N672	P611-V613 PolarHBondContact O-N 3.24Å; V613-D617 HydrophobicContact CG1-CB 4.03Å; V613-V618 HydrophobicContact CG1-CG2 4.49Å; V613-M665 HydrophobicContact CG2-SD 4.29Å; V613-K668 HydrophobicContact CG2-CB 4.5Å; V613-A669 HydrophobicContact CG1-CB 4.14Å; V613-A669 WeakPolarHBondContact O-CA 3.47Å; V613-N672 VanDerWaalsContact O-CB 3.27Å; V613-N672 WeakPolarHBondContact O-CB 3.06Å; V613-N672 PolarHBondContact O-ND2 3.41Å
614	C	85.5	Confident	74.9	Confident	53 Å²	53	74.7 Å²	74.7	36%	0.358	44%	0.438	S	S	.	.			trans	-107.6	162.8	176.2	-73.1	0	0	0	0	111.1	S616 D617	C614-S616 WeakPolarHBondContact CB-OG 3.41Å; C614-S616 PolarHBondContact O-N 2.99Å; C614-S616 VanDerWaalsContact O-N 3.16Å; C614-D617 PolarHBondContact N-OD2 3.41Å; C614-D617 WeakPolarHBondContact O-CB 3.2Å; C614-D617 PolarHBondContact O-N 2.91Å
615	W	85.7	Confident	76.5	Confident	20 Å²	20	68 Å²	68	8%	0.076	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.4	175.9	-65.7	98.7	0	0	0	114.2	K625 L628 K629 I666 A669 L670 E673	W615-K625 HydrophobicContact CE3-CB 4.05Å; W615-K625 HydrophobicContact CE3-CD 3.63Å; W615-K625 HydrophobicContact CE3-CG 3.65Å; W615-K625 HydrophobicContact CH2-CB 4.35Å; W615-K625 HydrophobicContact CZ3-CB 3.74Å; W615-K625 HydrophobicContact CZ3-CD 4.1Å; W615-K625 HydrophobicContact CZ3-CG 3.55Å; W615-K625 PolarHBondContact O-NZ 3.4Å; W615-L628 HydrophobicContact CH2-CB 4.01Å; W615-L628 HydrophobicContact CH2-CD1 4.21Å; W615-K629 HydrophobicContact CZ2-CG 4.04Å; W615-I666 HydrophobicContact CE3-CG1 4.22Å; W615-I666 HydrophobicContact CH2-CG1 4.27Å; W615-I666 HydrophobicContact CZ3-CD1 3.95Å; W615-I666 HydrophobicContact CZ3-CG1 3.49Å; W615-I666 VanDerWaalsContact CZ3-CG1 3.49Å; W615-A669 HydrophobicContact CD2-CB 4.3Å; W615-A669 HydrophobicContact CE3-CB 4.41Å; W615-A669 HydrophobicContact CG-CB 4.48Å; W615-L670 HydrophobicContact CH2-CB 3.99Å; W615-L670 HydrophobicContact CH2-CD1 4.17Å; W615-L670 HydrophobicContact CZ2-CB 3.79Å; W615-L670 HydrophobicContact CZ2-CD1 3.64Å; W615-L670 HydrophobicContact CZ2-CG 4.32Å; W615-E673 VanDerWaalsContact CD1-CB 3.47Å; W615-E673 VanDerWaalsContact NE1-CB 3.3Å; W615-E673 PolarHBondContact NE1-OE1 3.29Å; W615-E673 PolarHBondContact NE1-OE2 2.84Å
616	S	85.8	Confident	78.3	Confident	98 Å²	98	67.1 Å²	67.1	69%	0.685	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.4	167.6	44.1	0	0	0	0	112.5	C614	C614-S616 WeakPolarHBondContact CB-OG 3.41Å; C614-S616 PolarHBondContact O-N 2.99Å; C614-S616 VanDerWaalsContact O-N 3.16Å
617	D	86	Confident	80.1	Confident	101 Å²	101	71.5 Å²	71.5	54%	0.54	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-19.7	-169	-44.3	-15.9	0	0	0	110.9	V613 C614	V613-D617 HydrophobicContact CG1-CB 4.03Å; C614-D617 PolarHBondContact N-OD2 3.41Å; C614-D617 WeakPolarHBondContact O-CB 3.2Å; C614-D617 PolarHBondContact O-N 2.91Å
618	V	85.4	Confident	81.9	Confident	8 Å²	8	66.9 Å²	66.9	5%	0.048	39%	0.39	C	S	.	.	S	Bend	trans	-89.3	105.6	174.2	-177.4	0	0	0	0	109.2	V613 K625 I666 A669	V613-V618 HydrophobicContact CG1-CG2 4.49Å; V618-K625 WeakPolarHBondContact O-CE 3.4Å; V618-K625 PolarHBondContact O-NZ 3.12Å; V618-I666 HydrophobicContact CG1-CB 4.48Å; V618-I666 HydrophobicContact CG1-CG1 4.5Å; V618-A669 HydrophobicContact CG2-CB 3.95Å
619	G	82.3	Confident	83.3	Confident	67 Å²	67	68.5 Å²	68.5	69%	0.691	40%	0.397	S	S	*	.			trans	-67.7	139.9	175.2	0	0	0	0	0	113.4
620	G	86.1	Confident	84.7	Confident	58 Å²	58	68.6 Å²	68.6	60%	0.598	40%	0.395	S	S	*	.	S	Bend	trans	72.9	-152.7	170.6	0	0	0	0	0	116	A622 K625	G620-A622 VanDerWaalsContact C-N 3.33Å; G620-A622 PolarHBondContact O-N 3.24Å; G620-K625 VanDerWaalsContact O-CE 3.23Å; G620-K625 WeakPolarHBondContact O-CE 3.5Å
621	M	83.7	Confident	85.6	Confident	88 Å²	88	65.8 Å²	65.8	43%	0.433	38%	0.38	S	S	.	.			trans	54.1	32	173.4	-66.2	-176	157.5	0	0	116.9	E623 V624 K625 C661	M621-E623 VanDerWaalsContact C-N 3.27Å; M621-E623 PolarHBondContact O-N 3.49Å; M621-E623 VanDerWaalsContact O-N 3.1Å; M621-V624 HydrophobicContact CB-CB 4.34Å; M621-V624 PolarHBondContact O-N 3.18Å; M621-K625 WeakPolarHBondContact O-CG 3.31Å; M621-K625 PolarHBondContact O-N 3Å; M621-C661 HydrophobicContact CE-CB 4.27Å
622	A	87.6	Confident	86.4	Confident	78 Å²	78	65.7 Å²	65.7	65%	0.645	38%	0.38	S	S	*	.	H	α-helix	trans	-51.7	-38.5	-173.6	0	0	0	0	0	114.9	G620 K625 L626	G620-A622 VanDerWaalsContact C-N 3.33Å; G620-A622 PolarHBondContact O-N 3.24Å; A622-K625 PolarHBondContact O-N 3.36Å; A622-L626 WeakPolarHBondContact O-CB 3.38Å; A622-L626 PolarHBondContact O-N 2.82Å
623	E	90.5	Very high	86.8	Confident	128 Å²	128	57.1 Å²	57.1	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-65	-41.7	177	-166.8	-165.9	149.6	0	0	112.7	M621 L626 K627	M621-E623 VanDerWaalsContact C-N 3.27Å; M621-E623 PolarHBondContact O-N 3.49Å; M621-E623 VanDerWaalsContact O-N 3.1Å; E623-L626 PolarHBondContact O-N 3.1Å; E623-K627 HydrophobicContact CG-CD 4.5Å; E623-K627 WeakPolarHBondContact O-CG 3.37Å; E623-K627 PolarHBondContact O-N 3.08Å; E623-K627 WeakPolarHBondContact OE1-CE 3.43Å; E623-K627 IonicContact OE1-NZ 2.69Å; E623-K627 PolarHBondContact OE1-NZ 3.17Å
624	V	89.3	Confident	86.9	Confident	57 Å²	57	61.6 Å²	61.6	35%	0.345	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-40.7	177.4	-176.1	0	0	0	0	110.3	M621 L626 K627 L628 I666	M621-V624 HydrophobicContact CB-CB 4.34Å; M621-V624 PolarHBondContact O-N 3.18Å; V624-L626 VanDerWaalsContact C-N 3.33Å; V624-L626 PolarHBondContact O-N 3.32Å; V624-K627 PolarHBondContact O-N 3.24Å; V624-L628 HydrophobicContact CG1-CD1 4.18Å; V624-L628 WeakPolarHBondContact O-CB 3.48Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.39Å; V624-I666 HydrophobicContact CG1-CD1 4.06Å
625	K	89.6	Confident	86.9	Confident	37 Å²	37	60.1 Å²	60.1	16%	0.161	35%	0.346	C	S	.	.	H	α-helix	trans	-57	-47.4	172.9	-60.2	-167.9	176.1	178.7	0	111	W615 V618 G620 M621 A622 L628 K629 I666	W615-K625 HydrophobicContact CE3-CB 4.05Å; W615-K625 HydrophobicContact CE3-CD 3.63Å; W615-K625 HydrophobicContact CE3-CG 3.65Å; W615-K625 HydrophobicContact CH2-CB 4.35Å; W615-K625 HydrophobicContact CZ3-CB 3.74Å; W615-K625 HydrophobicContact CZ3-CD 4.1Å; W615-K625 HydrophobicContact CZ3-CG 3.55Å; W615-K625 PolarHBondContact O-NZ 3.4Å; V618-K625 WeakPolarHBondContact O-CE 3.4Å; V618-K625 PolarHBondContact O-NZ 3.12Å; G620-K625 VanDerWaalsContact O-CE 3.23Å; G620-K625 WeakPolarHBondContact O-CE 3.5Å; M621-K625 WeakPolarHBondContact O-CG 3.31Å; M621-K625 PolarHBondContact O-N 3Å; A622-K625 PolarHBondContact O-N 3.36Å; K625-L628 PolarHBondContact O-N 2.96Å; K625-K629 WeakPolarHBondContact O-CG 3.43Å; K625-K629 PolarHBondContact O-N 2.75Å; K625-I666 HydrophobicContact CG-CD1 4.27Å
626	L	90.7	Very high	86.5	Confident	97 Å²	97	61.9 Å²	61.9	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-60.1	-50	178.1	-169.3	102.6	0	0	0	111.4	A622 E623 V624 L628 K629 Q630	A622-L626 WeakPolarHBondContact O-CB 3.38Å; A622-L626 PolarHBondContact O-N 2.82Å; E623-L626 PolarHBondContact O-N 3.1Å; V624-L626 VanDerWaalsContact C-N 3.33Å; V624-L626 PolarHBondContact O-N 3.32Å; L626-L628 VanDerWaalsContact C-N 3.31Å; L626-L628 PolarHBondContact O-N 3.14Å; L626-K629 PolarHBondContact O-N 3.04Å; L626-Q630 VanDerWaalsContact O-CG 3.28Å; L626-Q630 WeakPolarHBondContact O-CG 3.23Å; L626-Q630 PolarHBondContact O-N 3.1Å
627	K	90.1	Very high	86.4	Confident	113 Å²	113	64.1 Å²	64.1	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-39.1	178.6	-75.2	172.2	174.1	172.4	0	112.6	E623 V624 Q630 A631	E623-K627 HydrophobicContact CG-CD 4.5Å; E623-K627 WeakPolarHBondContact O-CG 3.37Å; E623-K627 PolarHBondContact O-N 3.08Å; E623-K627 WeakPolarHBondContact OE1-CE 3.43Å; E623-K627 IonicContact OE1-NZ 2.69Å; E623-K627 PolarHBondContact OE1-NZ 3.17Å; V624-K627 PolarHBondContact O-N 3.24Å; K627-Q630 PolarHBondContact O-N 3.3Å; K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 3.02Å
628	L	88.8	Confident	86.4	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-42.5	176.2	-77.3	172.9	0	0	0	112.9	W615 V624 K625 L626 Q630 A631 V632 V653 L655 I666 L670 L758	W615-L628 HydrophobicContact CH2-CB 4.01Å; W615-L628 HydrophobicContact CH2-CD1 4.21Å; V624-L628 HydrophobicContact CG1-CD1 4.18Å; V624-L628 WeakPolarHBondContact O-CB 3.48Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.39Å; K625-L628 PolarHBondContact O-N 2.96Å; L626-L628 VanDerWaalsContact C-N 3.31Å; L626-L628 PolarHBondContact O-N 3.14Å; L628-Q630 VanDerWaalsContact C-N 3.32Å; L628-Q630 PolarHBondContact O-N 3.46Å; L628-A631 PolarHBondContact O-N 3.38Å; L628-V632 PolarHBondContact O-N 3.26Å; L628-V653 HydrophobicContact CD2-CG1 3.9Å; L628-L655 HydrophobicContact CD1-CD2 4.37Å; L628-L655 HydrophobicContact CD2-CD2 4.25Å; L628-I666 HydrophobicContact CD1-CD1 3.87Å; L628-I666 HydrophobicContact CD1-CG1 3.92Å; L628-I666 HydrophobicContact CD1-CG2 4.48Å; L628-L670 HydrophobicContact CB-CD1 4.47Å; L628-L670 HydrophobicContact CB-CD2 4.26Å; L628-L670 HydrophobicContact CD2-CD2 4.09Å; L628-L758 HydrophobicContact CD2-CD2 3.89Å
629	K	88.7	Confident	86.2	Confident	52 Å²	52	67.6 Å²	67.6	23%	0.226	37%	0.368	C	S	.	.	I	π-helix	trans	-59.5	-44	172.2	-69.8	177.5	176.7	-97.7	0	111.1	W615 K625 L626 A631 E633 W634 E673	W615-K629 HydrophobicContact CZ2-CG 4.04Å; K625-K629 WeakPolarHBondContact O-CG 3.43Å; K625-K629 PolarHBondContact O-N 2.75Å; L626-K629 PolarHBondContact O-N 3.04Å; K629-A631 PolarHBondContact O-N 3.47Å; K629-E633 HydrophobicContact CB-CB 4.41Å; K629-E633 VanDerWaalsContact CB-OE2 3.29Å; K629-E633 WeakPolarHBondContact CB-OE2 3.48Å; K629-E633 WeakPolarHBondContact CG-OE2 3.42Å; K629-E633 IonicContact NZ-OE2 3.21Å; K629-E633 WeakPolarHBondContact O-CA 3.24Å; K629-E633 WeakPolarHBondContact O-CB 3.33Å; K629-E633 PolarHBondContact O-N 2.62Å; K629-W634 PolarHBondContact O-N 3.01Å; K629-W634 VanDerWaalsContact O-N 3.12Å; K629-E673 IonicContact NZ-OE1 2.69Å; K629-E673 PolarHBondContact NZ-OE1 3.13Å; K629-E673 IonicContact NZ-OE2 2.71Å; K629-E673 PolarHBondContact NZ-OE2 3.09Å
630	Q	88.1	Confident	86.4	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	37%	0.368	S	S	.	.	I	π-helix	trans	-63.6	-37.8	176.4	-70.1	178.8	-27.8	0	0	113.5	L626 K627 L628 W634	L626-Q630 VanDerWaalsContact O-CG 3.28Å; L626-Q630 WeakPolarHBondContact O-CG 3.23Å; L626-Q630 PolarHBondContact O-N 3.1Å; K627-Q630 PolarHBondContact O-N 3.3Å; L628-Q630 VanDerWaalsContact C-N 3.32Å; L628-Q630 PolarHBondContact O-N 3.46Å; Q630-W634 HydrophobicContact CB-CD2 4.28Å; Q630-W634 HydrophobicContact CB-CE3 4.12Å; Q630-W634 HydrophobicContact CB-CZ3 4.37Å; Q630-W634 HydrophobicContact CG-CD2 3.96Å; Q630-W634 HydrophobicContact CG-CE3 3.82Å; Q630-W634 HydrophobicContact CG-CH2 3.65Å; Q630-W634 HydrophobicContact CG-CZ2 3.74Å; Q630-W634 HydrophobicContact CG-CZ3 3.68Å
631	A	86.1	Confident	86.4	Confident	19 Å²	19	69.9 Å²	69.9	16%	0.157	35%	0.35	C	S	.	.	I	π-helix	trans	-77.7	-31.7	-178.3	0	0	0	0	0	113.7	K627 L628 K629 P635 P650 V653	K627-A631 WeakPolarHBondContact O-CB 3.45Å; K627-A631 PolarHBondContact O-N 3.02Å; L628-A631 PolarHBondContact O-N 3.38Å; K629-A631 PolarHBondContact O-N 3.47Å; A631-P635 WeakPolarHBondContact O-CG 3.49Å; A631-P650 HydrophobicContact CB-CG 4.03Å; A631-V653 HydrophobicContact CB-CG2 4Å
632	V	84.2	Confident	86.4	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	34%	0.337	C	S	.	.	I	π-helix	trans	-120.7	-47.5	-169.4	-173.2	0	0	0	0	113.2	L628 L636 L670 L676 I712 T756 L758	L628-V632 PolarHBondContact O-N 3.26Å; V632-L636 HydrophobicContact CG1-CD1 4.4Å; V632-L636 VanDerWaalsContact O-CD1 3.31Å; V632-L636 WeakPolarHBondContact O-CD1 3.16Å; V632-L636 WeakPolarHBondContact O-CG 3.4Å; V632-L670 HydrophobicContact CB-CD1 4.29Å; V632-L670 HydrophobicContact CB-CD2 4.28Å; V632-L670 HydrophobicContact CG2-CD2 4.02Å; V632-L676 HydrophobicContact CG1-CD1 4.26Å; V632-I712 HydrophobicContact CG1-CD1 4.14Å; V632-I712 HydrophobicContact CG1-CG1 4.48Å; V632-T756 HydrophobicContact CG1-CG2 4.38Å; V632-T756 HydrophobicContact CG2-CG2 4.05Å; V632-L758 HydrophobicContact CG2-CD1 4.5Å
633	E	84.6	Confident	86.3	Confident	18 Å²	18	68.1 Å²	68.1	8%	0.084	33%	0.334	C	S	.	.	I	π-helix	trans	-70.9	-39.9	-177.5	-167.3	-171.6	172.2	0	0	111.6	K629 R637	K629-E633 HydrophobicContact CB-CB 4.41Å; K629-E633 VanDerWaalsContact CB-OE2 3.29Å; K629-E633 WeakPolarHBondContact CB-OE2 3.48Å; K629-E633 WeakPolarHBondContact CG-OE2 3.42Å; K629-E633 IonicContact NZ-OE2 3.21Å; K629-E633 WeakPolarHBondContact O-CA 3.24Å; K629-E633 WeakPolarHBondContact O-CB 3.33Å; K629-E633 PolarHBondContact O-N 2.62Å; E633-R637 PolarHBondContact O-N 3.4Å; E633-R637 IonicContact OE1-CZ 3.37Å; E633-R637 IonicContact OE1-NE 3.84Å; E633-R637 IonicContact OE1-NH1 2.76Å; E633-R637 PolarHBondContact OE1-NH1 3.02Å; E633-R637 IonicContact OE1-NH2 2.68Å; E633-R637 PolarHBondContact OE1-NH2 3.16Å
634	W	86.5	Confident	86.3	Confident	123 Å²	123	71.4 Å²	71.4	47%	0.466	34%	0.341	S	S	.	.	H	α-helix	trans	-70.3	-45.1	-175.7	-69.2	9	0	0	0	114.5	K629 Q630 L636 R637 H638 F642	K629-W634 PolarHBondContact O-N 3.01Å; K629-W634 VanDerWaalsContact O-N 3.12Å; Q630-W634 HydrophobicContact CB-CD2 4.28Å; Q630-W634 HydrophobicContact CB-CE3 4.12Å; Q630-W634 HydrophobicContact CB-CZ3 4.37Å; Q630-W634 HydrophobicContact CG-CD2 3.96Å; Q630-W634 HydrophobicContact CG-CE3 3.82Å; Q630-W634 HydrophobicContact CG-CH2 3.65Å; Q630-W634 HydrophobicContact CG-CZ2 3.74Å; Q630-W634 HydrophobicContact CG-CZ3 3.68Å; W634-L636 PolarHBondContact O-N 3.32Å; W634-R637 PolarHBondContact O-N 2.98Å; W634-H638 PolarHBondContact O-N 3.08Å; W634-F642 HydrophobicContact CB-CE2 4.27Å; W634-F642 HydrophobicContact CB-CZ 4.42Å
635	P	84.8	Confident	86.3	Confident	23 Å²	23	74.8 Å²	74.8	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-58.3	-36.1	175.4	-27.7	37.1	0	0	0	113.4	A631 F642 P649	A631-P635 WeakPolarHBondContact O-CG 3.49Å; P635-F642 HydrophobicContact CB-CE2 4.29Å; P635-F642 HydrophobicContact CB-CZ 4.44Å; P635-F642 HydrophobicContact CG-CE1 4.32Å; P635-F642 HydrophobicContact CG-CE2 4.1Å; P635-F642 HydrophobicContact CG-CZ 3.83Å; P635-P649 HydrophobicContact CB-CB 3.78Å; P635-P649 HydrophobicContact CG-CB 3.81Å
636	L	78.7	Confident	86.1	Confident	56 Å²	56	76.2 Å²	76.2	29%	0.293	38%	0.379	S	S	.	.	H	α-helix	trans	-77.4	-40.5	-178.1	-66.2	171	0	0	0	112.7	V632 W634 L676 P710	V632-L636 HydrophobicContact CG1-CD1 4.4Å; V632-L636 VanDerWaalsContact O-CD1 3.31Å; V632-L636 WeakPolarHBondContact O-CD1 3.16Å; V632-L636 WeakPolarHBondContact O-CG 3.4Å; W634-L636 PolarHBondContact O-N 3.32Å; L636-L676 HydrophobicContact CD1-CD1 3.44Å; L636-L676 VanDerWaalsContact CD1-CD1 3.44Å; L636-L676 HydrophobicContact CD1-CD2 4Å; L636-L676 HydrophobicContact CD1-CG 4.26Å; L636-P710 HydrophobicContact CD2-CB 4.5Å
637	R	83.2	Confident	85.8	Confident	146 Å²	146	75.8 Å²	75.8	55%	0.551	38%	0.377	S	S	*	.	H	α-helix	trans	-77.3	-27.4	177.3	-72.7	-168.4	178.4	156.9	14.2	113.9	E633 W634 P639	E633-R637 PolarHBondContact O-N 3.4Å; E633-R637 IonicContact OE1-CZ 3.37Å; E633-R637 IonicContact OE1-NE 3.84Å; E633-R637 IonicContact OE1-NH1 2.76Å; E633-R637 PolarHBondContact OE1-NH1 3.02Å; E633-R637 IonicContact OE1-NH2 2.68Å; E633-R637 PolarHBondContact OE1-NH2 3.16Å; W634-R637 PolarHBondContact O-N 2.98Å; R637-P639 VanDerWaalsContact C-CD 3.47Å
638	H	84.9	Confident	85.1	Confident	110 Å²	110	78.1 Å²	78.1	51%	0.509	39%	0.39	S	S	.	.			trans	-132.7	50.4	-171.8	-56.4	-45.8	0	0	0	114.1	W634 E640 A641 F642	W634-H638 PolarHBondContact O-N 3.08Å; H638-E640 PolarHBondContact O-N 3.5Å; H638-E640 VanDerWaalsContact O-N 3.16Å; H638-A641 HydrophobicContact CB-CB 4.07Å; H638-A641 WeakPolarHBondContact O-CB 3.17Å; H638-A641 PolarHBondContact O-N 3.39Å; H638-F642 PolarHBondContact O-N 3.1Å
639	P	82.1	Confident	84.6	Confident	71 Å²	71	79.4 Å²	79.4	46%	0.461	40%	0.398	S	S	.	.	H	α-helix	trans	-60	-30.8	-177.1	25.7	-35.5	0	0	0	113.2	R637 A641 F642 T643	R637-P639 VanDerWaalsContact C-CD 3.47Å; P639-A641 VanDerWaalsContact C-N 3.31Å; P639-A641 PolarHBondContact O-N 3.17Å; P639-F642 PolarHBondContact O-N 2.72Å; P639-T643 WeakPolarHBondContact O-CB 3.5Å; P639-T643 PolarHBondContact O-N 2.79Å; P639-T643 PolarHBondContact O-OG1 3.29Å
640	E	85.7	Confident	84	Confident	145 Å²	145	80 Å²	80	68%	0.678	41%	0.407	S	S	*	.	H	α-helix	trans	-65.6	-29.6	174.2	-61.9	-177.1	179.4	0	0	113.4	H638 R644	H638-E640 PolarHBondContact O-N 3.5Å; H638-E640 VanDerWaalsContact O-N 3.16Å; E640-R644 WeakPolarHBondContact O-CB 3.28Å; E640-R644 VanDerWaalsContact O-CG 3.24Å; E640-R644 WeakPolarHBondContact O-CG 3.29Å; E640-R644 PolarHBondContact O-N 3.06Å; E640-R644 PolarHBondContact O-NE 2.92Å
641	A	87	Confident	83.3	Confident	28 Å²	28	80.1 Å²	80.1	23%	0.231	40%	0.404	C	S	.	.	H	α-helix	trans	-72.1	-44.9	177.6	0	0	0	0	0	110.8	H638 P639 R644 M645	H638-A641 HydrophobicContact CB-CB 4.07Å; H638-A641 WeakPolarHBondContact O-CB 3.17Å; H638-A641 PolarHBondContact O-N 3.39Å; P639-A641 VanDerWaalsContact C-N 3.31Å; P639-A641 PolarHBondContact O-N 3.17Å; A641-R644 PolarHBondContact O-N 2.97Å; A641-M645 WeakPolarHBondContact O-CG 2.99Å; A641-M645 PolarHBondContact O-N 3.45Å
642	F	84.3	Confident	83.2	Confident	37 Å²	37	81.3 Å²	81.3	16%	0.162	42%	0.418	C	S	.	.	H	α-helix	trans	-62.2	-44.6	174.6	-75.7	-94.4	0	0	0	111.6	W634 P635 H638 P639 R644 M645 G646 I647 P649	W634-F642 HydrophobicContact CB-CE2 4.27Å; W634-F642 HydrophobicContact CB-CZ 4.42Å; P635-F642 HydrophobicContact CB-CE2 4.29Å; P635-F642 HydrophobicContact CB-CZ 4.44Å; P635-F642 HydrophobicContact CG-CE1 4.32Å; P635-F642 HydrophobicContact CG-CE2 4.1Å; P635-F642 HydrophobicContact CG-CZ 3.83Å; H638-F642 PolarHBondContact O-N 3.1Å; P639-F642 PolarHBondContact O-N 2.72Å; F642-R644 PolarHBondContact O-N 3.39Å; F642-M645 PolarHBondContact O-N 3.28Å; F642-G646 PolarHBondContact O-N 3Å; F642-I647 HydrophobicContact CD1-CB 4.34Å; F642-I647 HydrophobicContact CD1-CG2 4.3Å; F642-I647 PolarHBondContact O-N 2.75Å; F642-P649 HydrophobicContact CD1-CB 4.26Å; F642-P649 HydrophobicContact CE1-CB 4.39Å
643	T	84.1	Confident	83.4	Confident	93 Å²	93	82.7 Å²	82.7	57%	0.571	43%	0.427	S	S	*	.	H	α-helix	trans	-62	-43.1	178	-53.7	0	0	0	0	111.9	P639 G646	P639-T643 WeakPolarHBondContact O-CB 3.5Å; P639-T643 PolarHBondContact O-N 2.79Å; P639-T643 PolarHBondContact O-OG1 3.29Å; T643-G646 PolarHBondContact O-N 2.99Å
644	R	90.2	Very high	83.6	Confident	197 Å²	197	85.7 Å²	85.7	74%	0.743	44%	0.443	S	S	*	.	H	α-helix	trans	-67.8	-34.1	176.4	-76.4	179.6	-65.2	164.1	-2.2	113.7	E640 A641 F642 G646	E640-R644 WeakPolarHBondContact O-CB 3.28Å; E640-R644 VanDerWaalsContact O-CG 3.24Å; E640-R644 WeakPolarHBondContact O-CG 3.29Å; E640-R644 PolarHBondContact O-N 3.06Å; E640-R644 PolarHBondContact O-NE 2.92Å; A641-R644 PolarHBondContact O-N 2.97Å; F642-R644 PolarHBondContact O-N 3.39Å; R644-G646 VanDerWaalsContact C-N 3.33Å
645	M	90.1	Very high	83.8	Confident	127 Å²	127	80.7 Å²	80.7	63%	0.626	43%	0.425	S	S	*	.	H	α-helix	trans	-83.5	-7.4	176.9	-66.6	-161.3	-67.8	0	0	113.5	A641 F642 I647	A641-M645 WeakPolarHBondContact O-CG 2.99Å; A641-M645 PolarHBondContact O-N 3.45Å; F642-M645 PolarHBondContact O-N 3.28Å; M645-I647 HydrophobicContact CB-CD1 3.95Å; M645-I647 HydrophobicContact CB-CG1 3.92Å; M645-I647 HydrophobicContact CE-CD1 4.05Å; M645-I647 PolarHBondContact O-N 3.01Å; M645-I647 HydrophobicContact SD-CD1 4.38Å
646	G	84.5	Confident	84.1	Confident	67 Å²	67	87.2 Å²	87.2	69%	0.691	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	15.6	-176.6	0	0	0	0	0	114.2	F642 T643 R644	F642-G646 PolarHBondContact O-N 3Å; T643-G646 PolarHBondContact O-N 2.99Å; R644-G646 VanDerWaalsContact C-N 3.33Å
647	I	85.1	Confident	84.6	Confident	89 Å²	89	85.4 Å²	85.4	46%	0.456	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-88.7	123.7	-176.5	-59.7	177.4	0	0	0	108.9	F642 M645	F642-I647 HydrophobicContact CD1-CB 4.34Å; F642-I647 HydrophobicContact CD1-CG2 4.3Å; F642-I647 PolarHBondContact O-N 2.75Å; M645-I647 HydrophobicContact CB-CD1 3.95Å; M645-I647 HydrophobicContact CB-CG1 3.92Å; M645-I647 HydrophobicContact CE-CD1 4.05Å; M645-I647 PolarHBondContact O-N 3.01Å; M645-I647 HydrophobicContact SD-CD1 4.38Å
648	Q	75.6	Confident	84.8	Confident	162 Å²	162	82.5 Å²	82.5	76%	0.757	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-70.9	127.4	170.7	-68.4	-176.9	-20.8	0	0	109.9
649	P	78.5	Confident	84.8	Confident	31 Å²	31	82 Å²	82	20%	0.201	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-71.1	147.1	176.6	30.3	-34.9	0	0	0	110.9	P635 F642 R651	P635-P649 HydrophobicContact CB-CB 3.78Å; P635-P649 HydrophobicContact CG-CB 3.81Å; F642-P649 HydrophobicContact CD1-CB 4.26Å; F642-P649 HydrophobicContact CE1-CB 4.39Å; P649-R651 PolarHBondContact O-N 3.34Å
650	P	76.4	Confident	84.7	Confident	63 Å²	63	82.5 Å²	82.5	41%	0.409	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-65.7	128.6	178.4	27.9	-34.1	0	0	0	110.9	A631	A631-P650 HydrophobicContact CB-CG 4.03Å
651	R	73.7	Confident	84.5	Confident	76 Å²	76	77.8 Å²	77.8	29%	0.287	45%	0.45	S	S	.	.			trans	-88.3	-30.9	-177.9	-64.1	-65.6	176.4	-156.7	-0.8	114.2	P649 R753 V757	P649-R651 PolarHBondContact O-N 3.34Å; R651-R753 PolarHBondContact NH1-O 3.07Å; R651-V757 PolarHBondContact O-N 3.47Å
652	G	83.9	Confident	84.4	Confident	44 Å²	44	78.8 Å²	78.8	45%	0.454	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.8	-176.2	0	0	0	0	0	111.6	V757	G652-V757 CarbonylContact C-O 3.54Å; G652-V757 VanDerWaalsContact CA-O 3.27Å; G652-V757 WeakPolarHBondContact CA-O 3.29Å
653	V	88.1	Confident	84.6	Confident	30 Å²	30	78 Å²	78	18%	0.182	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.9	171.1	-178.7	0	0	0	0	109.8	L628 A631 L655 V757 L758 A759	L628-V653 HydrophobicContact CD2-CG1 3.9Å; A631-V653 HydrophobicContact CB-CG2 4Å; V653-L655 HydrophobicContact CG1-CD2 4.42Å; V653-V757 PolarHBondContact N-O 3.35Å; V653-L758 HydrophobicContact CB-CD2 3.8Å; V653-L758 HydrophobicContact CB-CG 4.21Å; V653-L758 HydrophobicContact CG1-CD2 4.04Å; V653-L758 WeakPolarHBondContact O-CA 3.29Å; V653-A759 PolarHBondContact O-N 2.96Å
654	L	89.1	Confident	84.8	Confident	81 Å²	81	75.8 Å²	75.8	42%	0.424	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.5	174.5	-176.9	64.8	0	0	0	110.6	I718 A759 T761 I767	L654-I718 HydrophobicContact CD1-CG2 4.34Å; L654-A759 HydrophobicContact CD1-CB 3.75Å; L654-T761 HydrophobicContact CD1-CG2 4.02Å; L654-T761 HydrophobicContact CG-CG2 4.42Å; L654-I767 HydrophobicContact CD1-CD1 4.37Å; L654-I767 HydrophobicContact CD2-CD1 4.21Å
655	L	90.1	Very high	84.7	Confident	19 Å²	19	70.9 Å²	70.9	10%	0.099	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.7	173.6	-64.8	177.3	0	0	0	109.7	L628 V653 I666 L758 A759 A760 T761	L628-L655 HydrophobicContact CD1-CD2 4.37Å; L628-L655 HydrophobicContact CD2-CD2 4.25Å; V653-L655 HydrophobicContact CG1-CD2 4.42Å; L655-I666 HydrophobicContact CD1-CG2 4.11Å; L655-L758 HydrophobicContact CD1-CD2 4.22Å; L655-L758 HydrophobicContact CG-CD2 4.49Å; L655-A759 PolarHBondContact N-O 3.46Å; L655-A760 VanDerWaalsContact O-CA 3.29Å; L655-A760 WeakPolarHBondContact O-CA 3.14Å; L655-T761 PolarHBondContact O-N 3.32Å
656	Y	90.5	Very high	84.6	Confident	160 Å²	160	65.1 Å²	65.1	63%	0.627	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	159.4	176.3	70.4	-88.3	0	0	0	111.9	T761 P764	Y656-T761 WeakPolarHBondContact CA-O 3.42Å; Y656-P764 HydrophobicContact CD2-CB 4.4Å; Y656-P764 HydrophobicContact CD2-CG 3.92Å; Y656-P764 HydrophobicContact CG-CB 4.22Å; Y656-P764 HydrophobicContact CG-CG 4.21Å
657	G	89.6	Confident	84.8	Confident	17 Å²	17	61.9 Å²	61.9	18%	0.175	36%	0.364	C	S	.	.			trans	152.2	175	178.3	0	0	0	0	0	111.3	K663	G657-K663 PolarHBondContact O-NZ 3.41Å
658	P	86.9	Confident	84.9	Confident	85 Å²	85	59.7 Å²	59.7	55%	0.552	35%	0.351	S	S	*	.	S	Bend	trans	-61	158	-178.5	19.1	-26.3	0	0	0	113.1	K663	P658-K663 PolarHBondContact O-NZ 3.47Å
659	P	85.3	Confident	85.5	Confident	99 Å²	99	52 Å²	52	64%	0.643	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	152.1	175.3	26.8	-34.8	0	0	0	111.1	C661 N762	P659-C661 VanDerWaalsContact C-N 3.29Å; P659-C661 PolarHBondContact O-N 3.28Å; P659-N762 WeakPolarHBondContact CA-OD1 3.4Å
660	G	80.9	Confident	85.9	Confident	83 Å²	83	50.5 Å²	50.5	86%	0.856	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-11.6	-178	0	0	0	0	0	115.8	S662	G660-S662 PolarHBondContact O-N 3.18Å
661	C	81.1	Confident	86.3	Confident	46 Å²	46	47.5 Å²	47.5	31%	0.311	29%	0.286	S	S	.	.	S	Bend	trans	-77.2	39.3	179.9	-67.2	0	0	0	0	115	M621 P659 K663	M621-C661 HydrophobicContact CE-CB 4.27Å; P659-C661 VanDerWaalsContact C-N 3.29Å; P659-C661 PolarHBondContact O-N 3.28Å; C661-K663 PolarHBondContact O-N 2.89Å
662	S	84.8	Confident	86.8	Confident	48 Å²	48	46.1 Å²	46.1	34%	0.336	28%	0.284	S	S	.	.			trans	52.5	20.5	168.8	58.4	0	0	0	0	117.6	G660 T664 M665 I666	G660-S662 PolarHBondContact O-N 3.18Å; S662-T664 VanDerWaalsContact C-N 3.34Å; S662-T664 PolarHBondContact O-N 2.9Å; S662-M665 CarbonylContact O-C 3.15Å; S662-M665 WeakPolarHBondContact O-CA 3.47Å; S662-M665 WeakPolarHBondContact O-CB 3.28Å; S662-M665 PolarHBondContact O-N 3.03Å; S662-I666 PolarHBondContact O-N 3.3Å
663	K	88.8	Confident	86.8	Confident	20 Å²	20	47.7 Å²	47.7	9%	0.087	28%	0.28	C	S	.	.	H	α-helix	trans	-55.7	-43	-176.9	-63.9	-172.1	-66.4	-93.2	0	113.3	G657 P658 C661 M665 I666 A667 A760 T761 N762	G657-K663 PolarHBondContact O-NZ 3.41Å; P658-K663 PolarHBondContact O-NZ 3.47Å; C661-K663 PolarHBondContact O-N 2.89Å; K663-M665 VanDerWaalsContact C-N 3.32Å; K663-M665 PolarHBondContact O-N 2.96Å; K663-I666 VanDerWaalsContact O-CG2 3.3Å; K663-I666 WeakPolarHBondContact O-CG2 3.47Å; K663-A667 PolarHBondContact O-N 3.24Å; K663-A760 HydrophobicContact CB-CB 4.31Å; K663-T761 WeakPolarHBondContact CE-O 3.4Å; K663-T761 PolarHBondContact NZ-O 3.09Å; K663-N762 PolarHBondContact NZ-OD1 2.92Å
664	T	86.9	Confident	86.4	Confident	47 Å²	47	47.7 Å²	47.7	29%	0.288	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-33.6	173.8	-39.6	0	0	0	0	112.4	S662 K668 F714 D716	S662-T664 VanDerWaalsContact C-N 3.34Å; S662-T664 PolarHBondContact O-N 2.9Å; T664-K668 WeakPolarHBondContact O-CB 3.12Å; T664-K668 WeakPolarHBondContact O-CG 3.17Å; T664-K668 PolarHBondContact O-N 2.93Å; T664-F714 HydrophobicContact CG2-CE1 4.05Å; T664-D716 WeakPolarHBondContact CB-OD2 3.43Å; T664-D716 WeakPolarHBondContact CG2-OD2 3.46Å; T664-D716 PolarHBondContact OG1-OD2 2.94Å
665	M	88	Confident	85.8	Confident	95 Å²	95	46.4 Å²	46.4	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-79.1	-35.9	-178.6	-67.4	-64.2	167.9	0	0	112.8	V613 S662 K663 K668 A669	V613-M665 HydrophobicContact CG2-SD 4.29Å; S662-M665 CarbonylContact O-C 3.15Å; S662-M665 WeakPolarHBondContact O-CA 3.47Å; S662-M665 WeakPolarHBondContact O-CB 3.28Å; S662-M665 PolarHBondContact O-N 3.03Å; K663-M665 VanDerWaalsContact C-N 3.32Å; K663-M665 PolarHBondContact O-N 2.96Å; M665-K668 PolarHBondContact O-N 2.88Å; M665-K668 HydrophobicContact SD-CD 4.38Å; M665-A669 WeakPolarHBondContact O-CB 3.27Å; M665-A669 PolarHBondContact O-N 2.83Å
666	I	89.7	Confident	85.2	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-70.2	-36	176	-162.7	172.3	0	0	0	111.6	W615 V618 V624 K625 L628 L655 S662 K663 A669 L670	W615-I666 HydrophobicContact CE3-CG1 4.22Å; W615-I666 HydrophobicContact CH2-CG1 4.27Å; W615-I666 HydrophobicContact CZ3-CD1 3.95Å; W615-I666 HydrophobicContact CZ3-CG1 3.49Å; W615-I666 VanDerWaalsContact CZ3-CG1 3.49Å; V618-I666 HydrophobicContact CG1-CB 4.48Å; V618-I666 HydrophobicContact CG1-CG1 4.5Å; V624-I666 HydrophobicContact CG1-CD1 4.06Å; K625-I666 HydrophobicContact CG-CD1 4.27Å; L628-I666 HydrophobicContact CD1-CD1 3.87Å; L628-I666 HydrophobicContact CD1-CG1 3.92Å; L628-I666 HydrophobicContact CD1-CG2 4.48Å; L655-I666 HydrophobicContact CD1-CG2 4.11Å; S662-I666 PolarHBondContact O-N 3.3Å; K663-I666 VanDerWaalsContact O-CG2 3.3Å; K663-I666 WeakPolarHBondContact O-CG2 3.47Å; I666-A669 PolarHBondContact O-N 3.02Å; I666-L670 WeakPolarHBondContact O-CB 3.27Å; I666-L670 PolarHBondContact O-N 2.9Å
667	A	87.8	Confident	84.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-41.8	171.3	0	0	0	0	0	112.1	K663 L670 A671 F678 F714	K663-A667 PolarHBondContact O-N 3.24Å; A667-L670 PolarHBondContact O-N 2.92Å; A667-A671 PolarHBondContact O-N 2.57Å; A667-F678 HydrophobicContact CB-CE2 4.28Å; A667-F678 HydrophobicContact CB-CZ 4.44Å; A667-F714 HydrophobicContact CB-CD2 3.52Å; A667-F714 HydrophobicContact CB-CE2 3.4Å; A667-F714 VanDerWaalsContact CB-CE2 3.4Å; A667-F714 HydrophobicContact CB-CG 4.15Å; A667-F714 HydrophobicContact CB-CZ 3.95Å
668	K	87.4	Confident	84.4	Confident	42 Å²	42	38.8 Å²	38.8	18%	0.183	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-47.2	172.6	-81.2	177.5	-177.5	-108.2	0	112.3	D609 P611 V613 T664 M665 L670 A671 N672 F678	D609-K668 IonicContact OD2-NZ 3.37Å; D609-K668 PolarHBondContact OD2-NZ 2.84Å; P611-K668 HydrophobicContact CB-CB 3.57Å; P611-K668 HydrophobicContact CB-CD 4.1Å; P611-K668 HydrophobicContact CB-CG 3.69Å; P611-K668 HydrophobicContact CG-CB 3.83Å; P611-K668 HydrophobicContact CG-CG 4.06Å; P611-K668 WeakPolarHBondContact CG-O 3.48Å; V613-K668 HydrophobicContact CG2-CB 4.5Å; T664-K668 WeakPolarHBondContact O-CB 3.12Å; T664-K668 WeakPolarHBondContact O-CG 3.17Å; T664-K668 PolarHBondContact O-N 2.93Å; M665-K668 PolarHBondContact O-N 2.88Å; M665-K668 HydrophobicContact SD-CD 4.38Å; K668-L670 VanDerWaalsContact C-N 3.35Å; K668-L670 PolarHBondContact O-N 2.73Å; K668-A671 PolarHBondContact O-N 2.83Å; K668-N672 PolarHBondContact O-N 2.88Å; K668-F678 HydrophobicContact CD-CE1 4.46Å; K668-F678 HydrophobicContact CG-CD1 4.37Å; K668-F678 HydrophobicContact CG-CE1 3.52Å; K668-F678 HydrophobicContact CG-CZ 3.73Å
669	A	88.5	Confident	84.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-39.8	178.5	0	0	0	0	0	113.1	V613 W615 V618 M665 I666 N672 E673	V613-A669 HydrophobicContact CG1-CB 4.14Å; V613-A669 WeakPolarHBondContact O-CA 3.47Å; W615-A669 HydrophobicContact CD2-CB 4.3Å; W615-A669 HydrophobicContact CE3-CB 4.41Å; W615-A669 HydrophobicContact CG-CB 4.48Å; V618-A669 HydrophobicContact CG2-CB 3.95Å; M665-A669 WeakPolarHBondContact O-CB 3.27Å; M665-A669 PolarHBondContact O-N 2.83Å; I666-A669 PolarHBondContact O-N 3.02Å; A669-N672 PolarHBondContact O-N 3.11Å; A669-E673 PolarHBondContact O-N 3.17Å; A669-E673 VanDerWaalsContact O-N 3.13Å
670	L	87.4	Confident	84.3	Confident	0 Å²	0	33 Å²	33	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175	172.2	65.1	0	0	0	111.9	W615 L628 V632 I666 A667 K668 S674 I712 L758	W615-L670 HydrophobicContact CH2-CB 3.99Å; W615-L670 HydrophobicContact CH2-CD1 4.17Å; W615-L670 HydrophobicContact CZ2-CB 3.79Å; W615-L670 HydrophobicContact CZ2-CD1 3.64Å; W615-L670 HydrophobicContact CZ2-CG 4.32Å; L628-L670 HydrophobicContact CB-CD1 4.47Å; L628-L670 HydrophobicContact CB-CD2 4.26Å; L628-L670 HydrophobicContact CD2-CD2 4.09Å; V632-L670 HydrophobicContact CB-CD1 4.29Å; V632-L670 HydrophobicContact CB-CD2 4.28Å; V632-L670 HydrophobicContact CG2-CD2 4.02Å; I666-L670 WeakPolarHBondContact O-CB 3.27Å; I666-L670 PolarHBondContact O-N 2.9Å; A667-L670 PolarHBondContact O-N 2.92Å; K668-L670 VanDerWaalsContact C-N 3.35Å; K668-L670 PolarHBondContact O-N 2.73Å; L670-S674 VanDerWaalsContact O-CB 3.26Å; L670-S674 WeakPolarHBondContact O-CB 3.19Å; L670-S674 PolarHBondContact O-N 3.48Å; L670-S674 PolarHBondContact O-OG 3.19Å; L670-I712 HydrophobicContact CG-CD1 4.43Å; L670-L758 HydrophobicContact CD2-CD1 3.95Å; L670-L758 HydrophobicContact CD2-CD2 4.4Å
671	A	84.6	Confident	84.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-39.8	-178.5	0	0	0	0	0	112.6	P611 A667 K668 S674 G675 L676 F678 I712	P611-A671 HydrophobicContact CG-CB 4.38Å; A667-A671 PolarHBondContact O-N 2.57Å; K668-A671 PolarHBondContact O-N 2.83Å; A671-S674 PolarHBondContact O-N 3.47Å; A671-G675 PolarHBondContact O-N 2.79Å; A671-G675 VanDerWaalsContact O-N 3.1Å; A671-L676 PolarHBondContact O-N 3.39Å; A671-F678 HydrophobicContact CB-CB 3.75Å; A671-F678 HydrophobicContact CB-CD2 3.54Å; A671-F678 HydrophobicContact CB-CE2 4.35Å; A671-F678 HydrophobicContact CB-CG 3.87Å; A671-I712 HydrophobicContact CB-CD1 3.97Å
672	N	84.3	Confident	84.8	Confident	48 Å²	48	32.5 Å²	32.5	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-64.5	-49.7	177.6	-168.8	26.9	0	0	0	112.4	P611 V613 K668 A669 S674 G675	P611-N672 HydrophobicContact CG-CB 4.36Å; P611-N672 VanDerWaalsContact O-CB 3.27Å; P611-N672 WeakPolarHBondContact O-CB 3.08Å; P611-N672 PolarHBondContact O-ND2 3.42Å; P611-N672 PolarHBondContact O-OD1 2.69Å; V613-N672 VanDerWaalsContact O-CB 3.27Å; V613-N672 WeakPolarHBondContact O-CB 3.06Å; V613-N672 PolarHBondContact O-ND2 3.41Å; K668-N672 PolarHBondContact O-N 2.88Å; A669-N672 PolarHBondContact O-N 3.11Å; N672-S674 VanDerWaalsContact C-N 3.28Å; N672-S674 PolarHBondContact O-N 3.18Å; N672-G675 PolarHBondContact O-N 3.33Å; N672-G675 VanDerWaalsContact O-N 3.09Å
673	E	83.4	Confident	84.5	Confident	77 Å²	77	30.3 Å²	30.3	36%	0.36	17%	0.174	S	C	.	.	H	α-helix	trans	-69.2	-27.5	179.3	-161.3	-160.8	57.1	0	0	112.7	W615 K629 A669 G675	W615-E673 VanDerWaalsContact CD1-CB 3.47Å; W615-E673 VanDerWaalsContact NE1-CB 3.3Å; W615-E673 PolarHBondContact NE1-OE1 3.29Å; W615-E673 PolarHBondContact NE1-OE2 2.84Å; K629-E673 IonicContact NZ-OE1 2.69Å; K629-E673 PolarHBondContact NZ-OE1 3.13Å; K629-E673 IonicContact NZ-OE2 2.71Å; K629-E673 PolarHBondContact NZ-OE2 3.09Å; A669-E673 PolarHBondContact O-N 3.17Å; A669-E673 VanDerWaalsContact O-N 3.13Å; E673-G675 VanDerWaalsContact C-N 3.27Å
674	S	79.6	Confident	84	Confident	29 Å²	29	32.5 Å²	32.5	20%	0.203	19%	0.19	C	C	.	.	H	α-helix	trans	-77.2	-12.9	173.6	-52.3	0	0	0	0	113	L670 A671 N672 L676	L670-S674 VanDerWaalsContact O-CB 3.26Å; L670-S674 WeakPolarHBondContact O-CB 3.19Å; L670-S674 PolarHBondContact O-N 3.48Å; L670-S674 PolarHBondContact O-OG 3.19Å; A671-S674 PolarHBondContact O-N 3.47Å; N672-S674 VanDerWaalsContact C-N 3.28Å; N672-S674 PolarHBondContact O-N 3.18Å; S674-L676 VanDerWaalsContact C-N 3.28Å; S674-L676 VanDerWaalsContact CB-CD1 3.48Å; S674-L676 PolarHBondContact O-N 3.27Å
675	G	75.3	Confident	83.6	Confident	55 Å²	55	35.5 Å²	35.5	57%	0.567	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	28.3	-174.3	0	0	0	0	0	113.7	A671 N672 E673	A671-G675 PolarHBondContact O-N 2.79Å; A671-G675 VanDerWaalsContact O-N 3.1Å; N672-G675 PolarHBondContact O-N 3.33Å; N672-G675 VanDerWaalsContact O-N 3.09Å; E673-G675 VanDerWaalsContact C-N 3.27Å
676	L	77.6	Confident	83	Confident	13 Å²	13	31.3 Å²	31.3	7%	0.068	18%	0.18	C	C	.	.			trans	-101.2	148.5	-170.7	-66.8	172.6	0	0	0	113	V632 L636 A671 S674 F678 P710 I712	V632-L676 HydrophobicContact CG1-CD1 4.26Å; L636-L676 HydrophobicContact CD1-CD1 3.44Å; L636-L676 VanDerWaalsContact CD1-CD1 3.44Å; L636-L676 HydrophobicContact CD1-CD2 4Å; L636-L676 HydrophobicContact CD1-CG 4.26Å; A671-L676 PolarHBondContact O-N 3.39Å; S674-L676 VanDerWaalsContact C-N 3.28Å; S674-L676 VanDerWaalsContact CB-CD1 3.48Å; S674-L676 PolarHBondContact O-N 3.27Å; L676-F678 PolarHBondContact O-N 3.07Å; L676-P710 HydrophobicContact CD2-CB 3.74Å; L676-P710 HydrophobicContact CD2-CG 3.83Å; L676-I712 HydrophobicContact CB-CD1 4.26Å; L676-I712 HydrophobicContact CB-CG1 4.43Å; L676-I712 HydrophobicContact CD1-CD1 3.73Å; L676-I712 HydrophobicContact CD1-CG1 3.93Å
677	N	78.6	Confident	82.1	Confident	23 Å²	23	34.7 Å²	34.7	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.3	173.1	-59.5	-64.8	0	0	0	109.8	I608 V708 P710 S711 I712	I608-N677 HydrophobicContact CD1-CB 4.49Å; I608-N677 HydrophobicContact CG2-CB 4.15Å; N677-V708 HydrophobicContact CB-CG1 3.86Å; N677-V708 VanDerWaalsContact CG-CG1 3.49Å; N677-V708 WeakPolarHBondContact ND2-CG1 3.46Å; N677-V708 PolarHBondContact ND2-O 2.81Å; N677-V708 VanDerWaalsContact ND2-O 3.08Å; N677-P710 PolarHBondContact ND2-O 2.85Å; N677-P710 VanDerWaalsContact ND2-O 3.1Å; N677-S711 WeakPolarHBondContact O-CA 3.33Å; N677-S711 WeakPolarHBondContact O-CB 3.47Å; N677-I712 PolarHBondContact O-N 3.36Å
678	F	85	Confident	81.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.7	-175.7	-176.6	-110.2	0	0	0	111	D609 P611 A667 K668 A671 L676 A680 I712 F714	D609-F678 WeakPolarHBondContact O-CB 3.33Å; P611-F678 HydrophobicContact CG-CD1 4.33Å; A667-F678 HydrophobicContact CB-CE2 4.28Å; A667-F678 HydrophobicContact CB-CZ 4.44Å; K668-F678 HydrophobicContact CD-CE1 4.46Å; K668-F678 HydrophobicContact CG-CD1 4.37Å; K668-F678 HydrophobicContact CG-CE1 3.52Å; K668-F678 HydrophobicContact CG-CZ 3.73Å; A671-F678 HydrophobicContact CB-CB 3.75Å; A671-F678 HydrophobicContact CB-CD2 3.54Å; A671-F678 HydrophobicContact CB-CE2 4.35Å; A671-F678 HydrophobicContact CB-CG 3.87Å; L676-F678 PolarHBondContact O-N 3.07Å; F678-A680 HydrophobicContact CD1-CB 4.26Å; F678-A680 HydrophobicContact CE1-CB 3.68Å; F678-A680 HydrophobicContact CZ-CB 4.2Å; F678-I712 HydrophobicContact CD2-CB 4.32Å; F678-I712 HydrophobicContact CD2-CG2 3.85Å; F678-I712 HydrophobicContact CE2-CG2 4.17Å; F678-F714 HydrophobicContact CD2-CB 4.3Å; F678-F714 HydrophobicContact CE2-CB 3.46Å; F678-F714 VanDerWaalsContact CE2-CB 3.46Å; F678-F714 HydrophobicContact CE2-CD1 4.37Å; F678-F714 AromaticContact CE2-CG 3.89Å; F678-F714 HydrophobicContact CE2-CG 3.89Å; F678-F714 HydrophobicContact CZ-CB 3.71Å; F678-F714 AromaticContact CZ-CD1 3.82Å; F678-F714 HydrophobicContact CZ-CD1 3.82Å; F678-F714 AromaticContact CZ-CG 3.81Å; F678-F714 HydrophobicContact CZ-CG 3.81Å
679	L	85.3	Confident	79.7	Confident	10 Å²	10	44.5 Å²	44.5	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	94.2	175.7	-74.6	79.5	0	0	0	108.5	V606 I608 V701 K704 A705 I712 F714	V606-L679 HydrophobicContact CG1-CD2 4.16Å; V606-L679 HydrophobicContact CG1-CG 4.46Å; I608-L679 HydrophobicContact CG1-CD1 4.4Å; L679-V701 HydrophobicContact CD2-CG1 4.15Å; L679-K704 HydrophobicContact CD2-CB 4.17Å; L679-A705 HydrophobicContact CD2-CB 4.23Å; L679-I712 PolarHBondContact N-O 3.02Å; L679-F714 PolarHBondContact O-N 3.48Å
680	A	85.4	Confident	78.2	Confident	52 Å²	52	52.3 Å²	52.3	43%	0.43	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.2	172.2	0	0	0	0	0	111.1	F678 F714	F678-A680 HydrophobicContact CD1-CB 4.26Å; F678-A680 HydrophobicContact CE1-CB 3.68Å; F678-A680 HydrophobicContact CZ-CB 4.2Å; A680-F714 WeakPolarHBondContact CA-O 3.39Å; A680-F714 HydrophobicContact CB-CD1 4.38Å
681	I	86.4	Confident	76.9	Confident	13 Å²	13	57.9 Å²	57.9	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.5	176.7	-43.2	153.9	0	0	0	106.7	L686 V701 V713 F714 F715 D716	I681-L686 HydrophobicContact CG2-CD1 3.68Å; I681-L686 HydrophobicContact CG2-CD2 4.12Å; I681-L686 HydrophobicContact CG2-CG 3.66Å; I681-V701 HydrophobicContact CD1-CB 4.25Å; I681-V701 HydrophobicContact CD1-CG1 3.48Å; I681-V701 VanDerWaalsContact CD1-CG1 3.48Å; I681-V701 HydrophobicContact CD1-CG2 4.48Å; I681-V701 HydrophobicContact CG1-CG1 3.99Å; I681-V713 HydrophobicContact CD1-CG1 3.66Å; I681-F714 PolarHBondContact N-O 2.97Å; I681-F715 HydrophobicContact CB-CD1 4.33Å; I681-F715 HydrophobicContact CD1-CD1 3.78Å; I681-F715 HydrophobicContact CD1-CE1 3.35Å; I681-F715 HydrophobicContact CD1-CE2 4.31Å; I681-F715 HydrophobicContact CD1-CG 4.42Å; I681-F715 HydrophobicContact CD1-CZ 3.64Å; I681-F715 WeakPolarHBondContact O-CA 3.39Å; I681-D716 PolarHBondContact O-N 2.61Å
682	K	84.9	Confident	76.3	Confident	106 Å²	106	59.6 Å²	59.6	46%	0.461	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.2	169.7	-49.7	-168.8	-162.8	92.4	0	110.1	P684 E685 D716	K682-P684 VanDerWaalsContact C-N 3.32Å; K682-E685 HydrophobicContact CB-CG 3.99Å; K682-E685 HydrophobicContact CG-CG 4.48Å; K682-E685 PolarHBondContact N-OE2 3.08Å; K682-E685 IonicContact NZ-OE1 2.85Å; K682-E685 PolarHBondContact NZ-OE1 3.36Å; K682-E685 WeakPolarHBondContact O-CB 3.49Å; K682-E685 PolarHBondContact O-N 2.88Å; K682-D716 CarbonylContact C-O 3.59Å
683	G	79.1	Confident	75.9	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-46.7	-49.1	176.2	0	0	0	0	0	113.6	E685 L686 D716	G683-E685 VanDerWaalsContact C-N 3.29Å; G683-E685 PolarHBondContact O-N 3.02Å; G683-L686 PolarHBondContact O-N 3.31Å; G683-D716 PolarHBondContact N-O 2.77Å
684	P	79.6	Confident	75.8	Confident	66 Å²	66	58.8 Å²	58.8	43%	0.429	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-24.1	176	-26.6	36.3	0	0	0	116	K682 L686 L687 A720	K682-P684 VanDerWaalsContact C-N 3.32Å; P684-L686 VanDerWaalsContact C-N 3.28Å; P684-L686 PolarHBondContact O-N 2.74Å; P684-L687 PolarHBondContact O-N 3.3Å; P684-A720 HydrophobicContact CG-CB 4.36Å
685	E	76.8	Confident	75.8	Confident	110 Å²	110	60.2 Å²	60.2	51%	0.514	33%	0.326	S	S	.	.	H	α-helix	trans	-72.6	-23.7	179.4	-68.6	165.2	175.2	0	0	112.2	K682 G683	K682-E685 HydrophobicContact CB-CG 3.99Å; K682-E685 HydrophobicContact CG-CG 4.48Å; K682-E685 PolarHBondContact N-OE2 3.08Å; K682-E685 IonicContact NZ-OE1 2.85Å; K682-E685 PolarHBondContact NZ-OE1 3.36Å; K682-E685 WeakPolarHBondContact O-CB 3.49Å; K682-E685 PolarHBondContact O-N 2.88Å; G683-E685 VanDerWaalsContact C-N 3.29Å; G683-E685 PolarHBondContact O-N 3.02Å
686	L	76.4	Confident	76	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-84.8	-15.4	174.9	-69.2	172.5	0	0	0	113	I681 G683 P684 S688 S694 A697 V698 F715 L721	I681-L686 HydrophobicContact CG2-CD1 3.68Å; I681-L686 HydrophobicContact CG2-CD2 4.12Å; I681-L686 HydrophobicContact CG2-CG 3.66Å; G683-L686 PolarHBondContact O-N 3.31Å; P684-L686 VanDerWaalsContact C-N 3.28Å; P684-L686 PolarHBondContact O-N 2.74Å; L686-S688 PolarHBondContact O-N 2.91Å; L686-S694 WeakPolarHBondContact O-CA 3.27Å; L686-S694 WeakPolarHBondContact O-CB 3.37Å; L686-S694 PolarHBondContact O-OG 3.42Å; L686-A697 HydrophobicContact CD2-CB 3.86Å; L686-V698 HydrophobicContact CD1-CG2 3.94Å; L686-V698 HydrophobicContact CD2-CG2 4.06Å; L686-V698 HydrophobicContact CG-CG2 4.48Å; L686-F715 HydrophobicContact CD1-CD1 4.26Å; L686-F715 HydrophobicContact CD1-CE1 3.91Å; L686-L721 HydrophobicContact CB-CD1 4.26Å; L686-L721 HydrophobicContact CB-CD2 4.12Å; L686-L721 HydrophobicContact CD1-CD1 3.74Å
687	L	71.4	Confident	76.2	Confident	76 Å²	76	64.8 Å²	64.8	40%	0.398	33%	0.333	S	S	.	.			trans	-87.6	81.7	179.4	-69.2	173.5	0	0	0	111.6	P684 L721	P684-L687 PolarHBondContact O-N 3.3Å; L687-L721 HydrophobicContact CD1-CD2 4.31Å; L687-L721 HydrophobicContact CD2-CD2 3.72Å; L687-L721 HydrophobicContact CG-CD2 3.68Å
688	S	69	Low	76.5	Confident	39 Å²	39	63.9 Å²	63.9	27%	0.273	33%	0.328	S	S	.	.			trans	-87.5	151.1	170	78.4	0	0	0	0	111.8	L686 Y690 E693 S694	L686-S688 PolarHBondContact O-N 2.91Å; S688-Y690 PolarHBondContact O-N 2.94Å; S688-E693 WeakPolarHBondContact OG-CB 3.45Å; S688-E693 PolarHBondContact OG-OE2 2.79Å; S688-S694 PolarHBondContact N-OG 2.92Å; S688-S694 PolarHBondContact O-OG 3.42Å; S688-S694 PolarHBondContact OG-OG 3.24Å; S688-S694 VanDerWaalsContact OG-OG 3.14Å
689	K	55.1	Low	76.4	Confident	208 Å²	208	68.1 Å²	68.1	90%	0.904	34%	0.344	S	S	*	.	S	Bend	trans	-74.8	-9.8	179.3	-67.4	-176.4	179.6	178.6	0	113.6
690	Y	56.4	Low	76.1	Confident	165 Å²	165	70.6 Å²	70.6	65%	0.647	36%	0.356	S	S	*	.	S	Bend	trans	-95.7	122.4	-176.3	-66	-80.7	0	0	0	110.6	S688 G692 E693	S688-Y690 PolarHBondContact O-N 2.94Å; Y690-G692 PolarHBondContact O-N 2.85Å; Y690-E693 WeakPolarHBondContact CB-OE2 3.33Å; Y690-E693 PolarHBondContact O-N 2.9Å
691	V	61	Low	76	Confident	116 Å²	116	69.5 Å²	69.5	70%	0.703	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	122.3	-175	-177.6	0	0	0	0	110.6
692	G	70.9	Confident	75.8	Confident	37 Å²	37	69 Å²	69	38%	0.381	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-18.6	176.1	0	0	0	0	0	115.5	Y690 R696	Y690-G692 PolarHBondContact O-N 2.85Å; G692-R696 PolarHBondContact O-N 3.22Å; G692-R696 VanDerWaalsContact O-N 3.17Å
693	E	76.3	Confident	75.5	Confident	107 Å²	107	68.1 Å²	68.1	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-43.8	173.9	-75.7	-172.8	168	0	0	111.8	S688 Y690 E695 R696 A697	S688-E693 WeakPolarHBondContact OG-CB 3.45Å; S688-E693 PolarHBondContact OG-OE2 2.79Å; Y690-E693 WeakPolarHBondContact CB-OE2 3.33Å; Y690-E693 PolarHBondContact O-N 2.9Å; E693-E695 VanDerWaalsContact C-N 3.33Å; E693-E695 PolarHBondContact O-N 3.16Å; E693-R696 PolarHBondContact O-N 3.36Å; E693-A697 WeakPolarHBondContact O-CB 3.42Å; E693-A697 PolarHBondContact O-N 3.45Å
694	S	81	Confident	75.3	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-42.6	179.6	-44.8	0	0	0	0	112.6	L686 S688 A697 V698 V738	L686-S694 WeakPolarHBondContact O-CA 3.27Å; L686-S694 WeakPolarHBondContact O-CB 3.37Å; L686-S694 PolarHBondContact O-OG 3.42Å; S688-S694 PolarHBondContact N-OG 2.92Å; S688-S694 PolarHBondContact O-OG 3.42Å; S688-S694 PolarHBondContact OG-OG 3.24Å; S688-S694 VanDerWaalsContact OG-OG 3.14Å; S694-A697 PolarHBondContact O-N 3.39Å; S694-V698 PolarHBondContact O-N 3.18Å; S694-V738 VanDerWaalsContact CB-CG2 3.44Å
695	E	80.5	Confident	75.3	Confident	59 Å²	59	67.4 Å²	67.4	28%	0.276	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-44.3	176.6	-173.7	-157.9	-136.5	0	0	111.1	E693 A697 V698 R699 Q741	E693-E695 VanDerWaalsContact C-N 3.33Å; E693-E695 PolarHBondContact O-N 3.16Å; E695-A697 VanDerWaalsContact C-N 3.31Å; E695-A697 PolarHBondContact O-N 2.82Å; E695-V698 PolarHBondContact O-N 3.17Å; E695-R699 VanDerWaalsContact CD-CZ 3.44Å; E695-R699 PolarHBondContact O-N 3.35Å; E695-R699 IonicContact OE1-CZ 3.44Å; E695-R699 IonicContact OE1-NH2 3.44Å; E695-R699 PolarHBondContact OE1-NH2 2.96Å; E695-R699 IonicContact OE2-CZ 3Å; E695-R699 IonicContact OE2-NH1 3.45Å; E695-R699 PolarHBondContact OE2-NH1 3.38Å; E695-R699 IonicContact OE2-NH2 2.68Å; E695-R699 PolarHBondContact OE2-NH2 3.46Å; E695-Q741 HydrophobicContact CG-CB 3.78Å; E695-Q741 HydrophobicContact CG-CG 3.68Å
696	R	79.6	Confident	75.3	Confident	128 Å²	128	65.5 Å²	65.5	48%	0.483	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-37.4	175.6	-175.7	179.8	176.2	126	-5.9	112	G692 E693 R699 E700	G692-R696 PolarHBondContact O-N 3.22Å; G692-R696 VanDerWaalsContact O-N 3.17Å; E693-R696 PolarHBondContact O-N 3.36Å; R696-R699 PolarHBondContact O-N 3.36Å; R696-E700 WeakPolarHBondContact O-CB 3.33Å; R696-E700 PolarHBondContact O-N 3.37Å
697	A	81.1	Confident	75	Confident	36 Å²	36	67.5 Å²	67.5	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-46	176.6	0	0	0	0	0	111.3	L686 E693 S694 E695 E700 V701	L686-A697 HydrophobicContact CD2-CB 3.86Å; E693-A697 WeakPolarHBondContact O-CB 3.42Å; E693-A697 PolarHBondContact O-N 3.45Å; S694-A697 PolarHBondContact O-N 3.39Å; E695-A697 VanDerWaalsContact C-N 3.31Å; E695-A697 PolarHBondContact O-N 2.82Å; A697-E700 PolarHBondContact O-N 2.96Å; A697-V701 WeakPolarHBondContact O-CG2 3.48Å; A697-V701 PolarHBondContact O-N 2.82Å
698	V	84.4	Confident	75	Confident	3 Å²	3	65 Å²	65	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-52.2	175.3	173.6	0	0	0	0	111.6	L686 S694 E695 E700 V701 F702 V738 Q741 L742	L686-V698 HydrophobicContact CD1-CG2 3.94Å; L686-V698 HydrophobicContact CD2-CG2 4.06Å; L686-V698 HydrophobicContact CG-CG2 4.48Å; S694-V698 PolarHBondContact O-N 3.18Å; E695-V698 PolarHBondContact O-N 3.17Å; V698-E700 PolarHBondContact O-N 2.82Å; V698-V701 PolarHBondContact O-N 2.98Å; V698-V701 VanDerWaalsContact O-N 3.16Å; V698-F702 HydrophobicContact CG1-CD2 3.84Å; V698-F702 HydrophobicContact CG1-CE2 3.81Å; V698-F702 WeakPolarHBondContact O-CD2 3.37Å; V698-F702 PolarHBondContact O-N 3Å; V698-F702 VanDerWaalsContact O-N 3.07Å; V698-V738 HydrophobicContact CG2-CG1 3.85Å; V698-Q741 HydrophobicContact CG1-CG 4.46Å; V698-L742 HydrophobicContact CG1-CB 4.34Å; V698-L742 HydrophobicContact CG1-CD1 4.4Å
699	R	82.8	Confident	75.2	Confident	90 Å²	90	65.4 Å²	65.4	34%	0.34	32%	0.324	S	S	.	.	H	α-helix	trans	-57.3	-39.5	176.6	-59.6	-168.8	-169	104	-4.3	112.3	E695 R696 R703 Q741 E745	E695-R699 VanDerWaalsContact CD-CZ 3.44Å; E695-R699 PolarHBondContact O-N 3.35Å; E695-R699 IonicContact OE1-CZ 3.44Å; E695-R699 IonicContact OE1-NH2 3.44Å; E695-R699 PolarHBondContact OE1-NH2 2.96Å; E695-R699 IonicContact OE2-CZ 3Å; E695-R699 IonicContact OE2-NH1 3.45Å; E695-R699 PolarHBondContact OE2-NH1 3.38Å; E695-R699 IonicContact OE2-NH2 2.68Å; E695-R699 PolarHBondContact OE2-NH2 3.46Å; R696-R699 PolarHBondContact O-N 3.36Å; R699-R703 VanDerWaalsContact O-CB 3.29Å; R699-R703 WeakPolarHBondContact O-CB 3.28Å; R699-R703 PolarHBondContact O-N 3.43Å; R699-Q741 HydrophobicContact CG-CG 3.85Å; R699-Q741 VanDerWaalsContact NE-CD 3.27Å; R699-E745 WeakPolarHBondContact CG-OE1 3.3Å
700	E	79.3	Confident	76.3	Confident	62 Å²	62	58.3 Å²	58.3	29%	0.29	30%	0.299	S	S	.	.	H	α-helix	trans	-67.2	-38.9	179.7	-177.9	164.4	152	0	0	112.1	R696 A697 V698 R703 K704	R696-E700 WeakPolarHBondContact O-CB 3.33Å; R696-E700 PolarHBondContact O-N 3.37Å; A697-E700 PolarHBondContact O-N 2.96Å; V698-E700 PolarHBondContact O-N 2.82Å; E700-R703 PolarHBondContact O-N 3.5Å; E700-R703 IonicContact OE2-NH2 3.29Å; E700-K704 HydrophobicContact CG-CD 4.1Å; E700-K704 WeakPolarHBondContact O-CB 3.41Å; E700-K704 VanDerWaalsContact O-CG 3.28Å; E700-K704 WeakPolarHBondContact O-CG 3.39Å; E700-K704 PolarHBondContact O-N 3.4Å; E700-K704 WeakPolarHBondContact OE1-CE 3.48Å; E700-K704 IonicContact OE1-NZ 2.61Å; E700-K704 PolarHBondContact OE1-NZ 2.87Å
701	V	83	Confident	77.5	Confident	29 Å²	29	50.5 Å²	50.5	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-69.5	-43.6	176.9	-177.9	0	0	0	0	111.6	L679 I681 A697 V698 R703 K704 A705 V713	L679-V701 HydrophobicContact CD2-CG1 4.15Å; I681-V701 HydrophobicContact CD1-CB 4.25Å; I681-V701 HydrophobicContact CD1-CG1 3.48Å; I681-V701 VanDerWaalsContact CD1-CG1 3.48Å; I681-V701 HydrophobicContact CD1-CG2 4.48Å; I681-V701 HydrophobicContact CG1-CG1 3.99Å; A697-V701 WeakPolarHBondContact O-CG2 3.48Å; A697-V701 PolarHBondContact O-N 2.82Å; V698-V701 PolarHBondContact O-N 2.98Å; V698-V701 VanDerWaalsContact O-N 3.16Å; V701-R703 VanDerWaalsContact C-N 3.32Å; V701-R703 PolarHBondContact O-N 3.28Å; V701-K704 WeakPolarHBondContact O-CB 3.45Å; V701-K704 PolarHBondContact O-N 3.44Å; V701-K704 VanDerWaalsContact O-N 3.11Å; V701-A705 PolarHBondContact O-N 3.19Å; V701-V713 HydrophobicContact CG1-CG1 4.47Å
702	F	83.9	Confident	78.8	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-37.3	174.3	-78.6	-73.5	0	0	0	112.5	V698 A705 R706 F715 L742 E745 M746 I749 V757	V698-F702 HydrophobicContact CG1-CD2 3.84Å; V698-F702 HydrophobicContact CG1-CE2 3.81Å; V698-F702 WeakPolarHBondContact O-CD2 3.37Å; V698-F702 PolarHBondContact O-N 3Å; V698-F702 VanDerWaalsContact O-N 3.07Å; F702-A705 PolarHBondContact O-N 2.97Å; F702-R706 WeakPolarHBondContact O-CB 3.42Å; F702-R706 WeakPolarHBondContact O-CG 3.23Å; F702-R706 PolarHBondContact O-N 3.38Å; F702-F715 HydrophobicContact CE1-CE2 4.45Å; F702-F715 HydrophobicContact CE2-CE2 4.36Å; F702-F715 AromaticContact CE2-CZ 3.74Å; F702-F715 HydrophobicContact CE2-CZ 3.74Å; F702-F715 AromaticContact CZ-CE2 3.72Å; F702-F715 HydrophobicContact CZ-CE2 3.72Å; F702-F715 AromaticContact CZ-CZ 3.57Å; F702-F715 HydrophobicContact CZ-CZ 3.57Å; F702-L742 HydrophobicContact CE2-CD1 3.45Å; F702-L742 VanDerWaalsContact CE2-CD1 3.45Å; F702-L742 HydrophobicContact CZ-CD1 3.59Å; F702-E745 HydrophobicContact CB-CB 4.2Å; F702-E745 HydrophobicContact CB-CG 4.28Å; F702-E745 WeakPolarHBondContact CB-OE2 3.46Å; F702-E745 HydrophobicContact CD1-CB 4.42Å; F702-E745 HydrophobicContact CD2-CB 3.5Å; F702-E745 VanDerWaalsContact CD2-CB 3.5Å; F702-E745 HydrophobicContact CD2-CG 3.86Å; F702-E745 HydrophobicContact CE2-CB 3.91Å; F702-E745 HydrophobicContact CG-CB 3.78Å; F702-E745 HydrophobicContact CG-CG 4.26Å; F702-M746 HydrophobicContact CZ-CG 4.25Å; F702-I749 HydrophobicContact CD1-CD1 3.5Å; F702-I749 VanDerWaalsContact CD1-CD1 3.5Å; F702-I749 HydrophobicContact CD1-CG1 4.38Å; F702-I749 HydrophobicContact CE1-CD1 3.4Å; F702-I749 HydrophobicContact CZ-CD1 4.48Å; F702-V757 HydrophobicContact CE1-CG2 3.99Å
703	R	77.1	Confident	79.7	Confident	89 Å²	89	43.2 Å²	43.2	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-42.2	170.7	-176.5	-173.3	63.5	153.6	-0.6	112.2	R699 E700 V701 R706 A707	R699-R703 VanDerWaalsContact O-CB 3.29Å; R699-R703 WeakPolarHBondContact O-CB 3.28Å; R699-R703 PolarHBondContact O-N 3.43Å; E700-R703 PolarHBondContact O-N 3.5Å; E700-R703 IonicContact OE2-NH2 3.29Å; V701-R703 VanDerWaalsContact C-N 3.32Å; V701-R703 PolarHBondContact O-N 3.28Å; R703-R706 PolarHBondContact O-N 2.7Å; R703-A707 WeakPolarHBondContact O-CB 3.43Å; R703-A707 PolarHBondContact O-N 2.87Å
704	K	75.5	Confident	80.3	Confident	51 Å²	51	38.2 Å²	38.2	22%	0.222	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-42.3	175.4	-75.9	168.8	175.7	178.5	0	111.4	V606 L679 E700 V701 A707 V708	V606-K704 HydrophobicContact CG1-CB 4.34Å; V606-K704 HydrophobicContact CG1-CD 4.25Å; V606-K704 HydrophobicContact CG2-CB 4.15Å; V606-K704 HydrophobicContact CG2-CD 3.76Å; V606-K704 HydrophobicContact CG2-CG 3.76Å; L679-K704 HydrophobicContact CD2-CB 4.17Å; E700-K704 HydrophobicContact CG-CD 4.1Å; E700-K704 WeakPolarHBondContact O-CB 3.41Å; E700-K704 VanDerWaalsContact O-CG 3.28Å; E700-K704 WeakPolarHBondContact O-CG 3.39Å; E700-K704 PolarHBondContact O-N 3.4Å; E700-K704 WeakPolarHBondContact OE1-CE 3.48Å; E700-K704 IonicContact OE1-NZ 2.61Å; E700-K704 PolarHBondContact OE1-NZ 2.87Å; V701-K704 WeakPolarHBondContact O-CB 3.45Å; V701-K704 PolarHBondContact O-N 3.44Å; V701-K704 VanDerWaalsContact O-N 3.11Å; K704-A707 PolarHBondContact O-N 2.87Å; K704-V708 WeakPolarHBondContact O-CG2 3.48Å; K704-V708 PolarHBondContact O-N 2.6Å; K704-V708 VanDerWaalsContact O-N 3.17Å
705	A	79.6	Confident	80.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-44.6	175.1	0	0	0	0	0	112.2	L679 V701 F702 V708 A709 S711 V713 V755	L679-A705 HydrophobicContact CD2-CB 4.23Å; V701-A705 PolarHBondContact O-N 3.19Å; F702-A705 PolarHBondContact O-N 2.97Å; A705-V708 CarbonylContact O-C 3.55Å; A705-V708 PolarHBondContact O-N 2.94Å; A705-A709 PolarHBondContact O-N 2.95Å; A705-A709 VanDerWaalsContact O-N 3.14Å; A705-S711 PolarHBondContact O-OG 3.36Å; A705-V713 HydrophobicContact CB-CG2 3.32Å; A705-V755 HydrophobicContact CB-CG1 4.11Å
706	R	76.6	Confident	81.1	Confident	71 Å²	71	36.7 Å²	36.7	27%	0.268	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-46.6	174.9	-74.5	-175.4	-73.2	-107.6	0.4	112.3	F702 R703 V708 A709 E745 L752 V755	F702-R706 WeakPolarHBondContact O-CB 3.42Å; F702-R706 WeakPolarHBondContact O-CG 3.23Å; F702-R706 PolarHBondContact O-N 3.38Å; R703-R706 PolarHBondContact O-N 2.7Å; R706-V708 PolarHBondContact O-N 3.16Å; R706-A709 WeakPolarHBondContact O-CB 3.45Å; R706-A709 PolarHBondContact O-N 3.17Å; R706-E745 IonicContact CZ-OE2 2.79Å; R706-E745 IonicContact NH1-OE2 3.62Å; R706-E745 PolarHBondContact NH1-OE2 2.77Å; R706-E745 IonicContact NH2-OE1 2.6Å; R706-E745 IonicContact NH2-OE2 2.9Å; R706-E745 PolarHBondContact NH2-OE2 3.28Å; R706-L752 VanDerWaalsContact CD-CD1 3.41Å; R706-L752 HydrophobicContact CG-CD1 3.81Å; R706-V755 HydrophobicContact CG-CG2 4.43Å
707	A	70.8	Confident	81.4	Confident	50 Å²	50	34.5 Å²	34.5	41%	0.413	18%	0.182	S	C	.	.	H	α-helix	trans	-67.4	-17	179.7	0	0	0	0	0	114	R703 K704	R703-A707 WeakPolarHBondContact O-CB 3.43Å; R703-A707 PolarHBondContact O-N 2.87Å; K704-A707 PolarHBondContact O-N 2.87Å
708	V	71.4	Confident	81.6	Confident	24 Å²	24	33.8 Å²	33.8	15%	0.145	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	26.7	-178.5	-170	0	0	0	0	110.8	I608 N677 K704 A705 R706 P710	I608-V708 HydrophobicContact CD1-CB 4.43Å; I608-V708 HydrophobicContact CD1-CG1 3.65Å; I608-V708 HydrophobicContact CD1-CG2 4.37Å; N677-V708 HydrophobicContact CB-CG1 3.86Å; N677-V708 VanDerWaalsContact CG-CG1 3.49Å; N677-V708 WeakPolarHBondContact ND2-CG1 3.46Å; N677-V708 PolarHBondContact ND2-O 2.81Å; N677-V708 VanDerWaalsContact ND2-O 3.08Å; K704-V708 WeakPolarHBondContact O-CG2 3.48Å; K704-V708 PolarHBondContact O-N 2.6Å; K704-V708 VanDerWaalsContact O-N 3.17Å; A705-V708 CarbonylContact O-C 3.55Å; A705-V708 PolarHBondContact O-N 2.94Å; R706-V708 PolarHBondContact O-N 3.16Å; V708-P710 CarbonylContact O-C 3.53Å
709	A	72.4	Confident	81.6	Confident	47 Å²	47	35.2 Å²	35.2	39%	0.388	18%	0.181	S	C	.	.			trans	-63.8	141.6	173.5	0	0	0	0	0	111	A705 R706 D754 V755	A705-A709 PolarHBondContact O-N 2.95Å; A705-A709 VanDerWaalsContact O-N 3.14Å; R706-A709 WeakPolarHBondContact O-CB 3.45Å; R706-A709 PolarHBondContact O-N 3.17Å; A709-D754 HydrophobicContact CB-CB 4.25Å; A709-V755 HydrophobicContact CB-CG2 4.31Å
710	P	79.5	Confident	81.4	Confident	59 Å²	59	33.1 Å²	33.1	38%	0.383	18%	0.183	S	C	.	.	S	Bend	cis	-75.9	137.2	1	33	-36.7	0	0	0	112.5	L636 L676 N677 V708 D754	L636-P710 HydrophobicContact CD2-CB 4.5Å; L676-P710 HydrophobicContact CD2-CB 3.74Å; L676-P710 HydrophobicContact CD2-CG 3.83Å; N677-P710 PolarHBondContact ND2-O 2.85Å; N677-P710 VanDerWaalsContact ND2-O 3.1Å; V708-P710 CarbonylContact O-C 3.53Å; P710-D754 WeakPolarHBondContact CA-O 3.49Å; P710-D754 HydrophobicContact CB-CB 4.3Å
711	S	81.4	Confident	81.2	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153	-174.8	63.9	0	0	0	0	114.1	N677 A705 D754 T756	N677-S711 WeakPolarHBondContact O-CA 3.33Å; N677-S711 WeakPolarHBondContact O-CB 3.47Å; A705-S711 PolarHBondContact O-OG 3.36Å; S711-D754 PolarHBondContact N-O 2.64Å; S711-T756 PolarHBondContact O-N 2.89Å
712	I	87.4	Confident	80.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.8	169.9	-72.5	169.5	0	0	0	108.5	V632 L670 A671 L676 N677 F678 L679 F714 T756 L758	V632-I712 HydrophobicContact CG1-CD1 4.14Å; V632-I712 HydrophobicContact CG1-CG1 4.48Å; L670-I712 HydrophobicContact CG-CD1 4.43Å; A671-I712 HydrophobicContact CB-CD1 3.97Å; L676-I712 HydrophobicContact CB-CD1 4.26Å; L676-I712 HydrophobicContact CB-CG1 4.43Å; L676-I712 HydrophobicContact CD1-CD1 3.73Å; L676-I712 HydrophobicContact CD1-CG1 3.93Å; N677-I712 PolarHBondContact O-N 3.36Å; F678-I712 HydrophobicContact CD2-CB 4.32Å; F678-I712 HydrophobicContact CD2-CG2 3.85Å; F678-I712 HydrophobicContact CE2-CG2 4.17Å; L679-I712 PolarHBondContact N-O 3.02Å; I712-F714 HydrophobicContact CG2-CB 4.47Å; I712-T756 WeakPolarHBondContact CA-O 3.13Å; I712-L758 HydrophobicContact CD1-CD1 4.24Å; I712-L758 HydrophobicContact CG1-CD1 4.28Å; I712-L758 HydrophobicContact CG2-CD1 3.56Å
713	V	89.3	Confident	79.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.4	167.6	-171.5	0	0	0	0	108.1	I681 V701 A705 F715 V755 T756 L758	I681-V713 HydrophobicContact CD1-CG1 3.66Å; V701-V713 HydrophobicContact CG1-CG1 4.47Å; A705-V713 HydrophobicContact CB-CG2 3.32Å; V713-F715 HydrophobicContact CB-CE2 4.39Å; V713-F715 HydrophobicContact CG1-CD2 4.13Å; V713-F715 HydrophobicContact CG1-CE2 3.47Å; V713-F715 VanDerWaalsContact CG1-CE2 3.47Å; V713-F715 HydrophobicContact CG1-CZ 3.82Å; V713-V755 HydrophobicContact CG2-CG1 3.97Å; V713-T756 PolarHBondContact N-O 2.69Å; V713-L758 PolarHBondContact O-N 2.8Å
714	F	90.3	Very high	79.5	Confident	1 Å²	1	31 Å²	31	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.5	-179	179.7	-104.9	0	0	0	111.4	T664 A667 F678 L679 A680 I681 I712 D716 L758 A760	T664-F714 HydrophobicContact CG2-CE1 4.05Å; A667-F714 HydrophobicContact CB-CD2 3.52Å; A667-F714 HydrophobicContact CB-CE2 3.4Å; A667-F714 VanDerWaalsContact CB-CE2 3.4Å; A667-F714 HydrophobicContact CB-CG 4.15Å; A667-F714 HydrophobicContact CB-CZ 3.95Å; F678-F714 HydrophobicContact CD2-CB 4.3Å; F678-F714 HydrophobicContact CE2-CB 3.46Å; F678-F714 VanDerWaalsContact CE2-CB 3.46Å; F678-F714 HydrophobicContact CE2-CD1 4.37Å; F678-F714 AromaticContact CE2-CG 3.89Å; F678-F714 HydrophobicContact CE2-CG 3.89Å; F678-F714 HydrophobicContact CZ-CB 3.71Å; F678-F714 AromaticContact CZ-CD1 3.82Å; F678-F714 HydrophobicContact CZ-CD1 3.82Å; F678-F714 AromaticContact CZ-CG 3.81Å; F678-F714 HydrophobicContact CZ-CG 3.81Å; L679-F714 PolarHBondContact O-N 3.48Å; A680-F714 WeakPolarHBondContact CA-O 3.39Å; A680-F714 HydrophobicContact CB-CD1 4.38Å; I681-F714 PolarHBondContact N-O 2.97Å; I712-F714 HydrophobicContact CG2-CB 4.47Å; F714-D716 HydrophobicContact CD1-CB 4.38Å; F714-D716 HydrophobicContact CE1-CB 3.63Å; F714-D716 HydrophobicContact CZ-CB 4.22Å; F714-L758 CarbonylContact C-O 3.59Å; F714-L758 VanDerWaalsContact CA-O 3.28Å; F714-L758 WeakPolarHBondContact CA-O 3.35Å; F714-L758 HydrophobicContact CD2-CB 3.87Å; F714-A760 HydrophobicContact CE2-CB 3.86Å; F714-A760 HydrophobicContact CZ-CB 3.63Å
715	F	89.5	Confident	78.9	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108	172.2	-65.6	-87.4	0	0	0	109.9	I681 L686 F702 V713 I718 L742 V757 L758 A759 A760	I681-F715 HydrophobicContact CB-CD1 4.33Å; I681-F715 HydrophobicContact CD1-CD1 3.78Å; I681-F715 HydrophobicContact CD1-CE1 3.35Å; I681-F715 HydrophobicContact CD1-CE2 4.31Å; I681-F715 HydrophobicContact CD1-CG 4.42Å; I681-F715 HydrophobicContact CD1-CZ 3.64Å; I681-F715 WeakPolarHBondContact O-CA 3.39Å; L686-F715 HydrophobicContact CD1-CD1 4.26Å; L686-F715 HydrophobicContact CD1-CE1 3.91Å; F702-F715 HydrophobicContact CE1-CE2 4.45Å; F702-F715 HydrophobicContact CE2-CE2 4.36Å; F702-F715 AromaticContact CE2-CZ 3.74Å; F702-F715 HydrophobicContact CE2-CZ 3.74Å; F702-F715 AromaticContact CZ-CE2 3.72Å; F702-F715 HydrophobicContact CZ-CE2 3.72Å; F702-F715 AromaticContact CZ-CZ 3.57Å; F702-F715 HydrophobicContact CZ-CZ 3.57Å; V713-F715 HydrophobicContact CB-CE2 4.39Å; V713-F715 HydrophobicContact CG1-CD2 4.13Å; V713-F715 HydrophobicContact CG1-CE2 3.47Å; V713-F715 VanDerWaalsContact CG1-CE2 3.47Å; V713-F715 HydrophobicContact CG1-CZ 3.82Å; F715-I718 HydrophobicContact CB-CD1 4.38Å; F715-L742 HydrophobicContact CE1-CD1 4.22Å; F715-L742 HydrophobicContact CE2-CD1 4.17Å; F715-L742 HydrophobicContact CZ-CD1 3.74Å; F715-V757 HydrophobicContact CD2-CG1 3.92Å; F715-V757 HydrophobicContact CE2-CG1 3.89Å; F715-L758 PolarHBondContact N-O 3.35Å; F715-A759 HydrophobicContact CB-CB 4.38Å; F715-A759 CarbonylContact O-C 3.6Å; F715-A759 WeakPolarHBondContact O-CA 3.32Å; F715-A760 PolarHBondContact O-N 3.13Å
716	D	87.9	Confident	77.7	Confident	24 Å²	24	38.5 Å²	38.5	13%	0.128	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.2	169	-142.3	-18	0	0	0	110.3	T664 I681 K682 G683 F714 I718	T664-D716 WeakPolarHBondContact CB-OD2 3.43Å; T664-D716 WeakPolarHBondContact CG2-OD2 3.46Å; T664-D716 PolarHBondContact OG1-OD2 2.94Å; I681-D716 PolarHBondContact O-N 2.61Å; K682-D716 CarbonylContact C-O 3.59Å; G683-D716 PolarHBondContact N-O 2.77Å; F714-D716 HydrophobicContact CD1-CB 4.38Å; F714-D716 HydrophobicContact CE1-CB 3.63Å; F714-D716 HydrophobicContact CZ-CB 4.22Å; D716-I718 PolarHBondContact O-N 3.39Å
717	E	86.6	Confident	76.7	Confident	82 Å²	82	39.2 Å²	39.2	38%	0.383	24%	0.244	S	C	.	.	S	Bend	trans	52.5	46.9	-179.5	-56.2	-178	157.7	0	0	113.6	D719 A720 A760	E717-D719 VanDerWaalsContact C-OD1 3.24Å; E717-D719 VanDerWaalsContact CA-OD1 3.32Å; E717-D719 WeakPolarHBondContact CA-OD1 3.37Å; E717-D719 PolarHBondContact O-N 3.1Å; E717-A720 WeakPolarHBondContact O-CB 3.49Å; E717-A720 PolarHBondContact O-N 2.94Å; E717-A760 PolarHBondContact N-O 3.18Å
718	I	85.8	Confident	75.9	Confident	22 Å²	22	41.4 Å²	41.4	11%	0.113	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.9	-21.4	179.4	-163.1	168.1	0	0	0	112.7	L654 F715 D716 A720 L721 A722 L742 A759 A760 I767	L654-I718 HydrophobicContact CD1-CG2 4.34Å; F715-I718 HydrophobicContact CB-CD1 4.38Å; D716-I718 PolarHBondContact O-N 3.39Å; I718-A720 PolarHBondContact O-N 3.29Å; I718-L721 PolarHBondContact O-N 3.24Å; I718-A722 HydrophobicContact CG1-CB 4.45Å; I718-A722 WeakPolarHBondContact O-CB 3.35Å; I718-A722 PolarHBondContact O-N 2.97Å; I718-L742 HydrophobicContact CD1-CD2 4.36Å; I718-A759 HydrophobicContact CD1-CB 3.81Å; I718-A759 HydrophobicContact CG2-CB 4.27Å; I718-A760 PolarHBondContact N-O 3.07Å; I718-A760 VanDerWaalsContact N-O 3.15Å; I718-I767 HydrophobicContact CG2-CD1 4.04Å
719	D	83.5	Confident	74.8	Confident	33 Å²	33	46 Å²	46	18%	0.176	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-61	-20.6	171.5	46.5	-23.3	0	0	0	113.4	E717 R763	E717-D719 VanDerWaalsContact C-OD1 3.24Å; E717-D719 VanDerWaalsContact CA-OD1 3.32Å; E717-D719 WeakPolarHBondContact CA-OD1 3.37Å; E717-D719 PolarHBondContact O-N 3.1Å; D719-R763 PolarHBondContact OD2-N 2.73Å
720	A	78.8	Confident	73.7	Confident	46 Å²	46	46.4 Å²	46.4	38%	0.38	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-74.2	-23.9	170.4	0	0	0	0	0	113.6	P684 E717 I718	P684-A720 HydrophobicContact CG-CB 4.36Å; E717-A720 WeakPolarHBondContact O-CB 3.49Å; E717-A720 PolarHBondContact O-N 2.94Å; I718-A720 PolarHBondContact O-N 3.29Å
721	L	75.5	Confident	72.3	Confident	10 Å²	10	49 Å²	49	5%	0.052	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-35.5	-178.7	-71.5	172.5	0	0	0	113.1	L686 L687 I718 V738	L686-L721 HydrophobicContact CB-CD1 4.26Å; L686-L721 HydrophobicContact CB-CD2 4.12Å; L686-L721 HydrophobicContact CD1-CD1 3.74Å; L687-L721 HydrophobicContact CD1-CD2 4.31Å; L687-L721 HydrophobicContact CD2-CD2 3.72Å; L687-L721 HydrophobicContact CG-CD2 3.68Å; I718-L721 PolarHBondContact O-N 3.24Å; L721-V738 HydrophobicContact CD2-CG1 4.12Å
722	A	69.6	Low	71.3	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.025	35%	0.351	C	S	.	.			trans	-105.6	32.9	-168.3	0	0	0	0	0	113.9	I718 L739 I767 D768	I718-A722 HydrophobicContact CG1-CB 4.45Å; I718-A722 WeakPolarHBondContact O-CB 3.35Å; I718-A722 PolarHBondContact O-N 2.97Å; A722-L739 HydrophobicContact CB-CD1 3.9Å; A722-I767 HydrophobicContact CB-CG2 4.32Å; A722-I767 WeakPolarHBondContact O-CA 3.28Å; A722-D768 PolarHBondContact O-N 3.41Å; A722-D768 VanDerWaalsContact O-N 3.13Å
723	S	70.5	Confident	70.5	Confident	49 Å²	49	52.7 Å²	52.7	34%	0.343	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-55	137.1	173.9	-179	0	0	0	0	111.1	R725 M766	S723-R725 PolarHBondContact O-N 2.79Å; S723-M766 WeakPolarHBondContact CA-O 3.36Å
724	E	67.1	Low	69.6	Low	75 Å²	75	55.3 Å²	55.3	35%	0.35	38%	0.379	S	S	.	.			trans	-46.8	129.6	178.5	-71.9	-169.1	148.7	0	0	112.8	G726 S727 M766 K769	E724-G726 PolarHBondContact O-N 2.87Å; E724-G726 VanDerWaalsContact O-N 3.07Å; E724-S727 PolarHBondContact O-N 2.9Å; E724-S727 PolarHBondContact O-OG 3.26Å; E724-M766 PolarHBondContact N-O 3.36Å; E724-K769 IonicContact OE1-NZ 3.28Å; E724-K769 PolarHBondContact OE1-NZ 3.35Å
725	R	63.2	Low	68.9	Low	141 Å²	141	56.3 Å²	56.3	53%	0.532	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	112	-178.4	-63.5	-178	-152.3	-163.1	4.9	110.7	S723 D768	S723-R725 PolarHBondContact O-N 2.79Å; R725-D768 IonicContact CZ-OD2 2.71Å; R725-D768 IonicContact NE-OD1 3.83Å; R725-D768 IonicContact NE-OD2 2.69Å; R725-D768 PolarHBondContact NE-OD2 3.14Å; R725-D768 IonicContact NH2-OD2 3.71Å; R725-D768 PolarHBondContact NH2-OD2 3.07Å
726	G	55.2	Low	68.4	Low	66 Å²	66	59 Å²	59	68%	0.68	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.8	-0	173.9	0	0	0	0	0	116.1	E724 S728	E724-G726 PolarHBondContact O-N 2.87Å; E724-G726 VanDerWaalsContact O-N 3.07Å; G726-S728 PolarHBondContact O-N 2.85Å; G726-S728 VanDerWaalsContact O-N 3.14Å
727	S	55.9	Low	67.9	Low	87 Å²	87	65.2 Å²	65.2	61%	0.608	43%	0.426	S	S	*	.	S	Bend	trans	-64.1	-14.4	175.3	-53.9	0	0	0	0	114.5	E724	E724-S727 PolarHBondContact O-N 2.9Å; E724-S727 PolarHBondContact O-OG 3.26Å
728	S	52.2	Low	67.7	Low	96 Å²	96	61.5 Å²	61.5	67%	0.671	41%	0.409	S	S	*	.	S	Bend	trans	-123.4	113.8	173.7	58.5	0	0	0	0	111.7	G726 G730	G726-S728 PolarHBondContact O-N 2.85Å; G726-S728 VanDerWaalsContact O-N 3.14Å; S728-G730 PolarHBondContact O-N 3.47Å
729	A	50.1	Low	67.6	Low	119 Å²	119	61 Å²	61	98%	0.983	41%	0.407	S	S	*	.	S	Bend	trans	-75.4	40	-173.6	0	0	0	0	0	115.3
730	G	47.6	Very low	67.6	Low	56 Å²	56	61.5 Å²	61.5	58%	0.577	42%	0.415	S	S	*	.	S	Bend	trans	-162.9	121.9	-179.2	0	0	0	0	0	114.3	S728	S728-G730 PolarHBondContact O-N 3.47Å
731	S	51.3	Low	68	Low	115 Å²	115	60.2 Å²	60.2	80%	0.804	40%	0.401	S	S	*	.	S	Bend	trans	58.5	109.6	175.3	-176	0	0	0	0	115.7	G733	S731-G733 PolarHBondContact O-N 3.37Å
732	G	60.7	Low	68.4	Low	53 Å²	53	60.1 Å²	60.1	55%	0.546	40%	0.401	S	S	.	.			trans	-45.4	116.2	174.9	0	0	0	0	0	111.9
733	G	69.4	Low	69.2	Low	25 Å²	25	63.3 Å²	63.3	26%	0.258	42%	0.417	S	S	.	.			trans	-72.4	158.8	-157.1	0	0	0	0	0	113	S731 G735 D736 R737	S731-G733 PolarHBondContact O-N 3.37Å; G733-G735 PolarHBondContact O-N 3.18Å; G733-D736 PolarHBondContact N-OD2 2.9Å; G733-D736 PolarHBondContact O-N 2.91Å; G733-R737 PolarHBondContact O-N 3.3Å
734	V	71.8	Confident	70	Confident	54 Å²	54	65.1 Å²	65.1	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-58.9	-37	164.3	-179.8	0	0	0	0	109.4	R737 V738	V734-R737 PolarHBondContact O-N 3.46Å; V734-V738 HydrophobicContact CG1-CG2 4.24Å; V734-V738 WeakPolarHBondContact O-CB 3.38Å; V734-V738 WeakPolarHBondContact O-CG2 3.08Å; V734-V738 PolarHBondContact O-N 2.69Å
735	G	74.8	Confident	70.8	Confident	22 Å²	22	62.6 Å²	62.6	23%	0.227	41%	0.414	C	S	.	.	H	α-helix	trans	-54.8	-53.4	172.2	0	0	0	0	0	113.6	G733 R737 V738 L739	G733-G735 PolarHBondContact O-N 3.18Å; G735-R737 VanDerWaalsContact C-N 3.25Å; G735-R737 PolarHBondContact O-N 2.95Å; G735-V738 CarbonylContact O-C 3.59Å; G735-V738 PolarHBondContact O-N 2.85Å; G735-L739 WeakPolarHBondContact O-CB 3.49Å; G735-L739 PolarHBondContact O-N 2.71Å
736	D	78.2	Confident	71.5	Confident	61 Å²	61	59.4 Å²	59.4	33%	0.326	41%	0.406	S	S	.	.	H	α-helix	trans	-55.4	-40.3	-179.7	-56.6	-33.9	0	0	0	112.5	G733 A740	G733-D736 PolarHBondContact N-OD2 2.9Å; G733-D736 PolarHBondContact O-N 2.91Å; D736-A740 WeakPolarHBondContact O-CB 3.47Å; D736-A740 PolarHBondContact O-N 3.05Å
737	R	79.2	Confident	72.7	Confident	155 Å²	155	61.8 Å²	61.8	59%	0.585	40%	0.403	S	S	*	.	H	α-helix	trans	-70.9	-40	178.3	-60.8	-179.2	-168.8	-166.5	2	111.9	G733 V734 G735 A740 Q741	G733-R737 PolarHBondContact O-N 3.3Å; V734-R737 PolarHBondContact O-N 3.46Å; G735-R737 VanDerWaalsContact C-N 3.25Å; G735-R737 PolarHBondContact O-N 2.95Å; R737-A740 PolarHBondContact O-N 3Å; R737-Q741 WeakPolarHBondContact O-CB 3.37Å; R737-Q741 PolarHBondContact O-N 3.2Å
738	V	81.9	Confident	73.5	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-40.2	175.6	171.1	0	0	0	0	110.8	S694 V698 L721 V734 G735 Q741 L742	S694-V738 VanDerWaalsContact CB-CG2 3.44Å; V698-V738 HydrophobicContact CG2-CG1 3.85Å; L721-V738 HydrophobicContact CD2-CG1 4.12Å; V734-V738 HydrophobicContact CG1-CG2 4.24Å; V734-V738 WeakPolarHBondContact O-CB 3.38Å; V734-V738 WeakPolarHBondContact O-CG2 3.08Å; V734-V738 PolarHBondContact O-N 2.69Å; G735-V738 CarbonylContact O-C 3.59Å; G735-V738 PolarHBondContact O-N 2.85Å; V738-Q741 PolarHBondContact O-N 3.37Å; V738-L742 WeakPolarHBondContact O-CB 3.47Å; V738-L742 PolarHBondContact O-N 3.4Å
739	L	82.6	Confident	74.3	Confident	13 Å²	13	54.9 Å²	54.9	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-46	175	-176.6	63.9	0	0	0	111.6	A722 G735 Q741 L742 L743 D768	A722-L739 HydrophobicContact CB-CD1 3.9Å; G735-L739 WeakPolarHBondContact O-CB 3.49Å; G735-L739 PolarHBondContact O-N 2.71Å; L739-Q741 VanDerWaalsContact C-N 3.28Å; L739-Q741 PolarHBondContact O-N 2.8Å; L739-L742 HydrophobicContact CD1-CD2 4.48Å; L739-L742 WeakPolarHBondContact O-CB 3.47Å; L739-L742 PolarHBondContact O-N 3.34Å; L739-L742 VanDerWaalsContact O-N 3.17Å; L739-L743 HydrophobicContact CG-CD1 4.46Å; L739-L743 WeakPolarHBondContact O-CG 3.37Å; L739-L743 PolarHBondContact O-N 3.39Å; L739-D768 HydrophobicContact CD2-CB 3.98Å
740	A	84.3	Confident	74.7	Confident	43 Å²	43	56 Å²	56	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-59	-39.7	174.8	0	0	0	0	0	112.2	D736 R737 T744	D736-A740 WeakPolarHBondContact O-CB 3.47Å; D736-A740 PolarHBondContact O-N 3.05Å; R737-A740 PolarHBondContact O-N 3Å; A740-T744 WeakPolarHBondContact O-CB 3.42Å; A740-T744 PolarHBondContact O-N 2.93Å; A740-T744 PolarHBondContact O-OG1 3.14Å
741	Q	86.1	Confident	75.1	Confident	19 Å²	19	61.8 Å²	61.8	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-70.6	-36.4	175.3	-175.5	60.9	72.1	0	0	112.9	E695 V698 R699 R737 V738 L739 T744 E745	E695-Q741 HydrophobicContact CG-CB 3.78Å; E695-Q741 HydrophobicContact CG-CG 3.68Å; V698-Q741 HydrophobicContact CG1-CG 4.46Å; R699-Q741 HydrophobicContact CG-CG 3.85Å; R699-Q741 VanDerWaalsContact NE-CD 3.27Å; R737-Q741 WeakPolarHBondContact O-CB 3.37Å; R737-Q741 PolarHBondContact O-N 3.2Å; V738-Q741 PolarHBondContact O-N 3.37Å; L739-Q741 VanDerWaalsContact C-N 3.28Å; L739-Q741 PolarHBondContact O-N 2.8Å; Q741-T744 PolarHBondContact O-N 2.97Å; Q741-E745 WeakPolarHBondContact O-CG 3.35Å; Q741-E745 PolarHBondContact O-N 3.38Å
742	L	85.8	Confident	75.3	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-47.7	174.7	174.5	59.7	0	0	0	110.7	V698 F702 F715 I718 V738 L739 E745 M746	V698-L742 HydrophobicContact CG1-CB 4.34Å; V698-L742 HydrophobicContact CG1-CD1 4.4Å; F702-L742 HydrophobicContact CE2-CD1 3.45Å; F702-L742 VanDerWaalsContact CE2-CD1 3.45Å; F702-L742 HydrophobicContact CZ-CD1 3.59Å; F715-L742 HydrophobicContact CE1-CD1 4.22Å; F715-L742 HydrophobicContact CE2-CD1 4.17Å; F715-L742 HydrophobicContact CZ-CD1 3.74Å; I718-L742 HydrophobicContact CD1-CD2 4.36Å; V738-L742 WeakPolarHBondContact O-CB 3.47Å; V738-L742 PolarHBondContact O-N 3.4Å; L739-L742 HydrophobicContact CD1-CD2 4.48Å; L739-L742 WeakPolarHBondContact O-CB 3.47Å; L739-L742 PolarHBondContact O-N 3.34Å; L739-L742 VanDerWaalsContact O-N 3.17Å; L742-E745 PolarHBondContact O-N 3.26Å; L742-M746 HydrophobicContact CD1-CG 4.33Å; L742-M746 HydrophobicContact CD1-SD 4.17Å; L742-M746 HydrophobicContact CG-SD 4.19Å; L742-M746 WeakPolarHBondContact O-CB 3.43Å; L742-M746 WeakPolarHBondContact O-CG 3.5Å; L742-M746 PolarHBondContact O-N 3.35Å
743	L	85.5	Confident	75.3	Confident	71 Å²	71	66.2 Å²	66.2	37%	0.372	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-46.7	174.1	-66.6	170.5	0	0	0	111.2	L739 E745 M746 D747	L739-L743 HydrophobicContact CG-CD1 4.46Å; L739-L743 WeakPolarHBondContact O-CG 3.37Å; L739-L743 PolarHBondContact O-N 3.39Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-E745 PolarHBondContact O-N 3.18Å; L743-M746 PolarHBondContact O-N 3.24Å; L743-M746 VanDerWaalsContact O-N 3.08Å; L743-D747 PolarHBondContact O-N 2.97Å
744	T	86.2	Confident	75.4	Confident	86 Å²	86	69.1 Å²	69.1	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-38.5	177.9	-54.5	0	0	0	0	112.8	A740 Q741 G748	A740-T744 WeakPolarHBondContact O-CB 3.42Å; A740-T744 PolarHBondContact O-N 2.93Å; A740-T744 PolarHBondContact O-OG1 3.14Å; Q741-T744 PolarHBondContact O-N 2.97Å; T744-G748 PolarHBondContact O-N 3.21Å; T744-G748 VanDerWaalsContact O-N 3.08Å
745	E	84.3	Confident	75.9	Confident	23 Å²	23	66.7 Å²	66.7	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-73.9	-34.7	174.7	-69.5	-73.6	163.1	0	0	112.2	R699 F702 R706 Q741 L742 L743 G748 I749	R699-E745 WeakPolarHBondContact CG-OE1 3.3Å; F702-E745 HydrophobicContact CB-CB 4.2Å; F702-E745 HydrophobicContact CB-CG 4.28Å; F702-E745 WeakPolarHBondContact CB-OE2 3.46Å; F702-E745 HydrophobicContact CD1-CB 4.42Å; F702-E745 HydrophobicContact CD2-CB 3.5Å; F702-E745 VanDerWaalsContact CD2-CB 3.5Å; F702-E745 HydrophobicContact CD2-CG 3.86Å; F702-E745 HydrophobicContact CE2-CB 3.91Å; F702-E745 HydrophobicContact CG-CB 3.78Å; F702-E745 HydrophobicContact CG-CG 4.26Å; R706-E745 IonicContact CZ-OE2 2.79Å; R706-E745 IonicContact NH1-OE2 3.62Å; R706-E745 PolarHBondContact NH1-OE2 2.77Å; R706-E745 IonicContact NH2-OE1 2.6Å; R706-E745 IonicContact NH2-OE2 2.9Å; R706-E745 PolarHBondContact NH2-OE2 3.28Å; Q741-E745 WeakPolarHBondContact O-CG 3.35Å; Q741-E745 PolarHBondContact O-N 3.38Å; L742-E745 PolarHBondContact O-N 3.26Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-E745 PolarHBondContact O-N 3.18Å; E745-G748 CarbonylContact O-C 3.5Å; E745-G748 PolarHBondContact O-N 3.39Å; E745-I749 WeakPolarHBondContact O-CG1 3.22Å; E745-I749 PolarHBondContact O-N 2.79Å; E745-I749 VanDerWaalsContact O-N 3.1Å
746	M	79.3	Confident	76.4	Confident	74 Å²	74	66.3 Å²	66.3	37%	0.365	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-43.5	175.6	-76.1	179.7	62.2	0	0	112.1	F702 L742 L743 G748 I749	F702-M746 HydrophobicContact CZ-CG 4.25Å; L742-M746 HydrophobicContact CD1-CG 4.33Å; L742-M746 HydrophobicContact CD1-SD 4.17Å; L742-M746 HydrophobicContact CG-SD 4.19Å; L742-M746 WeakPolarHBondContact O-CB 3.43Å; L742-M746 WeakPolarHBondContact O-CG 3.5Å; L742-M746 PolarHBondContact O-N 3.35Å; L743-M746 PolarHBondContact O-N 3.24Å; L743-M746 VanDerWaalsContact O-N 3.08Å; M746-G748 VanDerWaalsContact C-N 3.3Å; M746-G748 PolarHBondContact O-N 3.02Å; M746-I749 WeakPolarHBondContact O-CB 3.47Å; M746-I749 PolarHBondContact O-N 3.32Å; M746-I749 VanDerWaalsContact O-N 3.17Å
747	D	79.9	Confident	76.9	Confident	116 Å²	116	63.9 Å²	63.9	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-63.5	-40	172.1	-63.8	-20.2	0	0	0	110.3	L743 I749 E750	L743-D747 PolarHBondContact O-N 2.97Å; D747-I749 PolarHBondContact O-N 3.15Å; D747-I749 VanDerWaalsContact O-N 3.16Å; D747-E750 VanDerWaalsContact O-CB 3.24Å; D747-E750 WeakPolarHBondContact O-CB 3.48Å; D747-E750 PolarHBondContact O-N 3.22Å
748	G	72.9	Confident	77.4	Confident	32 Å²	32	56.5 Å²	56.5	33%	0.33	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-18.7	174.2	0	0	0	0	0	115.2	T744 E745 M746 E750	T744-G748 PolarHBondContact O-N 3.21Å; T744-G748 VanDerWaalsContact O-N 3.08Å; E745-G748 CarbonylContact O-C 3.5Å; E745-G748 PolarHBondContact O-N 3.39Å; M746-G748 VanDerWaalsContact C-N 3.3Å; M746-G748 PolarHBondContact O-N 3.02Å; G748-E750 VanDerWaalsContact C-N 3.3Å
749	I	67.8	Low	77.8	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-75.8	-16.9	174	-68.6	157.6	0	0	0	111.8	F702 E745 M746 D747 Q751 L752 V755 V757	F702-I749 HydrophobicContact CD1-CD1 3.5Å; F702-I749 VanDerWaalsContact CD1-CD1 3.5Å; F702-I749 HydrophobicContact CD1-CG1 4.38Å; F702-I749 HydrophobicContact CE1-CD1 3.4Å; F702-I749 HydrophobicContact CZ-CD1 4.48Å; E745-I749 WeakPolarHBondContact O-CG1 3.22Å; E745-I749 PolarHBondContact O-N 2.79Å; E745-I749 VanDerWaalsContact O-N 3.1Å; M746-I749 WeakPolarHBondContact O-CB 3.47Å; M746-I749 PolarHBondContact O-N 3.32Å; M746-I749 VanDerWaalsContact O-N 3.17Å; D747-I749 PolarHBondContact O-N 3.15Å; D747-I749 VanDerWaalsContact O-N 3.16Å; I749-Q751 PolarHBondContact O-N 3.27Å; I749-L752 PolarHBondContact O-N 3.35Å; I749-V755 HydrophobicContact CG2-CB 4.3Å; I749-V757 HydrophobicContact CD1-CG2 3.9Å
750	E	58.9	Low	78.2	Confident	143 Å²	143	56.2 Å²	56.2	67%	0.668	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-54.2	-31.4	-180	-168.3	-179.7	-173.3	0	0	112.8	D747 G748	D747-E750 VanDerWaalsContact O-CB 3.24Å; D747-E750 WeakPolarHBondContact O-CB 3.48Å; D747-E750 PolarHBondContact O-N 3.22Å; G748-E750 VanDerWaalsContact C-N 3.3Å
751	Q	56.3	Low	78.5	Confident	177 Å²	177	54.2 Å²	54.2	83%	0.827	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-76	-18.9	179.3	-59.5	-176.4	5.5	0	0	114.5	I749	I749-Q751 PolarHBondContact O-N 3.27Å
752	L	55.1	Low	78.6	Confident	83 Å²	83	55.9 Å²	55.9	44%	0.435	29%	0.285	S	S	.	.			trans	-121.3	116.6	-172.6	-71.5	168.3	0	0	0	110.9	R706 I749 D754	R706-L752 VanDerWaalsContact CD-CD1 3.41Å; R706-L752 HydrophobicContact CG-CD1 3.81Å; I749-L752 PolarHBondContact O-N 3.35Å; L752-D754 VanDerWaalsContact C-N 3.31Å; L752-D754 PolarHBondContact O-N 2.89Å
753	R	60.5	Low	78.6	Confident	179 Å²	179	62.5 Å²	62.5	68%	0.675	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-10.1	-162.9	-66.2	-175	174.8	-176.2	-1.6	115.6	R651	R651-R753 PolarHBondContact NH1-O 3.07Å
754	D	72.6	Confident	78.5	Confident	86 Å²	86	61.8 Å²	61.8	46%	0.46	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	7.7	-158.3	-49.8	-41	0	0	0	114.9	A709 P710 S711 L752	A709-D754 HydrophobicContact CB-CB 4.25Å; P710-D754 WeakPolarHBondContact CA-O 3.49Å; P710-D754 HydrophobicContact CB-CB 4.3Å; S711-D754 PolarHBondContact N-O 2.64Å; L752-D754 VanDerWaalsContact C-N 3.31Å; L752-D754 PolarHBondContact O-N 2.89Å
755	V	82.1	Confident	78.4	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.1	171.5	-177.9	0	0	0	0	109.3	A705 R706 A709 V713 I749	A705-V755 HydrophobicContact CB-CG1 4.11Å; R706-V755 HydrophobicContact CG-CG2 4.43Å; A709-V755 HydrophobicContact CB-CG2 4.31Å; V713-V755 HydrophobicContact CG2-CG1 3.97Å; I749-V755 HydrophobicContact CG2-CB 4.3Å
756	T	85.3	Confident	78	Confident	14 Å²	14	64.1 Å²	64.1	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133	177.1	-55.3	0	0	0	0	110.4	V632 S711 I712 V713	V632-T756 HydrophobicContact CG1-CG2 4.38Å; V632-T756 HydrophobicContact CG2-CG2 4.05Å; S711-T756 PolarHBondContact O-N 2.89Å; I712-T756 WeakPolarHBondContact CA-O 3.13Å; V713-T756 PolarHBondContact N-O 2.69Å
757	V	89.1	Confident	77.9	Confident	10 Å²	10	62 Å²	62	6%	0.061	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.7	177	-175.8	0	0	0	0	109.9	R651 G652 V653 F702 F715 I749	R651-V757 PolarHBondContact O-N 3.47Å; G652-V757 CarbonylContact C-O 3.54Å; G652-V757 VanDerWaalsContact CA-O 3.27Å; G652-V757 WeakPolarHBondContact CA-O 3.29Å; V653-V757 PolarHBondContact N-O 3.35Å; F702-V757 HydrophobicContact CE1-CG2 3.99Å; F715-V757 HydrophobicContact CD2-CG1 3.92Å; F715-V757 HydrophobicContact CE2-CG1 3.89Å; I749-V757 HydrophobicContact CD1-CG2 3.9Å
758	L	89.6	Confident	77.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.5	168.7	-82.6	130.5	0	0	0	108.7	L628 V632 V653 L655 L670 I712 V713 F714 F715	L628-L758 HydrophobicContact CD2-CD2 3.89Å; V632-L758 HydrophobicContact CG2-CD1 4.5Å; V653-L758 HydrophobicContact CB-CD2 3.8Å; V653-L758 HydrophobicContact CB-CG 4.21Å; V653-L758 HydrophobicContact CG1-CD2 4.04Å; V653-L758 WeakPolarHBondContact O-CA 3.29Å; L655-L758 HydrophobicContact CD1-CD2 4.22Å; L655-L758 HydrophobicContact CG-CD2 4.49Å; L670-L758 HydrophobicContact CD2-CD1 3.95Å; L670-L758 HydrophobicContact CD2-CD2 4.4Å; I712-L758 HydrophobicContact CD1-CD1 4.24Å; I712-L758 HydrophobicContact CG1-CD1 4.28Å; I712-L758 HydrophobicContact CG2-CD1 3.56Å; V713-L758 PolarHBondContact O-N 2.8Å; F714-L758 CarbonylContact C-O 3.59Å; F714-L758 VanDerWaalsContact CA-O 3.28Å; F714-L758 WeakPolarHBondContact CA-O 3.35Å; F714-L758 HydrophobicContact CD2-CB 3.87Å; F715-L758 PolarHBondContact N-O 3.35Å
759	A	90.2	Very high	76.9	Confident	10 Å²	10	67.9 Å²	67.9	8%	0.083	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145	175.9	0	0	0	0	0	109.8	V653 L654 L655 F715 I718	V653-A759 PolarHBondContact O-N 2.96Å; L654-A759 HydrophobicContact CD1-CB 3.75Å; L655-A759 PolarHBondContact N-O 3.46Å; F715-A759 HydrophobicContact CB-CB 4.38Å; F715-A759 CarbonylContact O-C 3.6Å; F715-A759 WeakPolarHBondContact O-CA 3.32Å; I718-A759 HydrophobicContact CD1-CB 3.81Å; I718-A759 HydrophobicContact CG2-CB 4.27Å
760	A	90.8	Very high	77.4	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.2	174.3	0	0	0	0	0	111.1	L655 K663 F714 F715 E717 I718	L655-A760 VanDerWaalsContact O-CA 3.29Å; L655-A760 WeakPolarHBondContact O-CA 3.14Å; K663-A760 HydrophobicContact CB-CB 4.31Å; F714-A760 HydrophobicContact CE2-CB 3.86Å; F714-A760 HydrophobicContact CZ-CB 3.63Å; F715-A760 PolarHBondContact O-N 3.13Å; E717-A760 PolarHBondContact N-O 3.18Å; I718-A760 PolarHBondContact N-O 3.07Å; I718-A760 VanDerWaalsContact N-O 3.15Å
761	T	89.6	Confident	78.3	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.3	175.8	-179.9	0	0	0	0	111.2	L654 L655 Y656 K663 R763 P764 I767	L654-T761 HydrophobicContact CD1-CG2 4.02Å; L654-T761 HydrophobicContact CG-CG2 4.42Å; L655-T761 PolarHBondContact O-N 3.32Å; Y656-T761 WeakPolarHBondContact CA-O 3.42Å; K663-T761 WeakPolarHBondContact CE-O 3.4Å; K663-T761 PolarHBondContact NZ-O 3.09Å; T761-R763 PolarHBondContact OG1-N 2.95Å; T761-R763 PolarHBondContact OG1-O 3.49Å; T761-R763 VanDerWaalsContact OG1-O 3.09Å; T761-P764 HydrophobicContact CG2-CB 4.24Å; T761-I767 HydrophobicContact CG2-CD1 3.82Å
762	N	89.6	Confident	79.5	Confident	53 Å²	53	61.1 Å²	61.1	28%	0.283	29%	0.29	S	S	.	.	S	Bend	trans	-91.5	-20.5	166.4	-62.9	-59.7	0	0	0	112	P659 K663	P659-N762 WeakPolarHBondContact CA-OD1 3.4Å; K663-N762 PolarHBondContact NZ-OD1 2.92Å
763	R	84.9	Confident	81	Confident	146 Å²	146	59.8 Å²	59.8	55%	0.551	28%	0.282	S	S	*	.			trans	-132	86.1	-174.7	-68.8	-171	178	-162.2	-0.8	111	D719 T761 D765 M766	D719-R763 PolarHBondContact OD2-N 2.73Å; T761-R763 PolarHBondContact OG1-N 2.95Å; T761-R763 PolarHBondContact OG1-O 3.49Å; T761-R763 VanDerWaalsContact OG1-O 3.09Å; R763-D765 VanDerWaalsContact C-OD1 3.22Å; R763-D765 WeakPolarHBondContact CA-OD1 3.46Å; R763-D765 VanDerWaalsContact CB-OD1 3.28Å; R763-D765 WeakPolarHBondContact CB-OD1 3.16Å; R763-D765 PolarHBondContact O-N 3.03Å; R763-M766 HydrophobicContact CB-CB 4.11Å; R763-M766 HydrophobicContact CB-CG 3.79Å; R763-M766 HydrophobicContact CG-CG 4.47Å; R763-M766 PolarHBondContact O-N 2.74Å
764	P	83.8	Confident	82.3	Confident	57 Å²	57	52.4 Å²	52.4	37%	0.37	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-68.2	-17.3	175.5	31.2	-35.9	0	0	0	112.5	Y656 T761 M766	Y656-P764 HydrophobicContact CD2-CB 4.4Å; Y656-P764 HydrophobicContact CD2-CG 3.92Å; Y656-P764 HydrophobicContact CG-CB 4.22Å; Y656-P764 HydrophobicContact CG-CG 4.21Å; T761-P764 HydrophobicContact CG2-CB 4.24Å; P764-M766 VanDerWaalsContact C-N 3.34Å
765	D	82.9	Confident	82.9	Confident	96 Å²	96	50.1 Å²	50.1	51%	0.513	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-68.4	-27.7	175.1	53.4	-57.4	0	0	0	113.9	R763	R763-D765 VanDerWaalsContact C-OD1 3.22Å; R763-D765 WeakPolarHBondContact CA-OD1 3.46Å; R763-D765 VanDerWaalsContact CB-OD1 3.28Å; R763-D765 WeakPolarHBondContact CB-OD1 3.16Å; R763-D765 PolarHBondContact O-N 3.03Å
766	M	76.2	Confident	83	Confident	61 Å²	61	53.5 Å²	53.5	30%	0.3	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-86.9	-6.8	-177.9	-69.7	-68.3	-50.7	0	0	114	S723 E724 R763 P764	S723-M766 WeakPolarHBondContact CA-O 3.36Å; E724-M766 PolarHBondContact N-O 3.36Å; R763-M766 HydrophobicContact CB-CB 4.11Å; R763-M766 HydrophobicContact CB-CG 3.79Å; R763-M766 HydrophobicContact CG-CG 4.47Å; R763-M766 PolarHBondContact O-N 2.74Å; P764-M766 VanDerWaalsContact C-N 3.34Å
767	I	76.9	Confident	82.8	Confident	31 Å²	31	56.5 Å²	56.5	16%	0.159	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-84.3	133.6	-174.8	-61.6	179.9	0	0	0	110	L654 I718 A722 T761 K769	L654-I767 HydrophobicContact CD1-CD1 4.37Å; L654-I767 HydrophobicContact CD2-CD1 4.21Å; I718-I767 HydrophobicContact CG2-CD1 4.04Å; A722-I767 HydrophobicContact CB-CG2 4.32Å; A722-I767 WeakPolarHBondContact O-CA 3.28Å; T761-I767 HydrophobicContact CG2-CD1 3.82Å; I767-K769 PolarHBondContact O-N 2.86Å
768	D	70.3	Confident	82.3	Confident	48 Å²	48	60.4 Å²	60.4	26%	0.257	29%	0.291	S	S	.	.			trans	-47.6	129.8	170.9	-158.9	37.8	0	0	0	111.6	A722 R725 L739	A722-D768 PolarHBondContact O-N 3.41Å; A722-D768 VanDerWaalsContact O-N 3.13Å; R725-D768 IonicContact CZ-OD2 2.71Å; R725-D768 IonicContact NE-OD1 3.83Å; R725-D768 IonicContact NE-OD2 2.69Å; R725-D768 PolarHBondContact NE-OD2 3.14Å; R725-D768 IonicContact NH2-OD2 3.71Å; R725-D768 PolarHBondContact NH2-OD2 3.07Å; L739-D768 HydrophobicContact CD2-CB 3.98Å
769	K	62.6	Low	81.6	Confident	222 Å²	222	65.9 Å²	65.9	97%	0.965	32%	0.317	S	S	*	.			trans	-100.6	0	-166.7	-66.7	-170.8	-177.1	81.4	0	114.5	E724 I767	E724-K769 IonicContact OE1-NZ 3.28Å; E724-K769 PolarHBondContact OE1-NZ 3.35Å; I767-K769 PolarHBondContact O-N 2.86Å

Retrieved 769 of 769 residues in 602.1 ms (Link to these results)

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