A0A075B6H4_HUMAN Loading...

Cysteine-rich protein 2-binding protein

Component of the ATAC complex, a complex with histone acetyltransferase activity on histones H3 and H4. May function as a scaffold for the ATAC complex to promote ATAC complex stability. Has also weak histone acetyltransferase activity toward histone H4. Required for the normal progression through G1 and G2/M phases of the cell cycle.

AlphaFold DB , UniProt , Accession A0A075B6H4, Species HUMAN (Homo sapiens, Human), Gene KAT14, Length 781 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	30.6	Very low	223 Å²	223	139.5 Å²	139.5	100%	1.099	78%	0.782	S	S	*	*				0	98.6	0	-67.5	-178.9	-179.6	0	0	110.9
2	D	32.2	Very low	30.3	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	77%	0.768	S	S	*	*			cis	-167.6	156.8	-45.6	-87.2	-31.3	0	0	0	110.1
3	S	30.3	Very low	30.3	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	78%	0.777	S	S	*	*			trans	45	97.6	147.8	-56.6	0	0	0	0	122.6
4	S	32.9	Very low	30.3	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	77%	0.771	S	S	*	*				76.4	165.6	114.2	-152.8	0	0	0	0	123.4
5	I	34	Very low	30.3	Very low	134 Å²	134	141.9 Å²	141.9	69%	0.687	76%	0.763	S	S	*	*			trans	77.9	105.7	161.4	-33.9	-176.1	0	0	0	121.5
6	H	27.5	Very low	30.4	Very low	162 Å²	162	142.3 Å²	142.3	75%	0.75	77%	0.765	S	S	*	*			trans	156	132.8	130.6	-100.1	-89.1	0	0	0	109.6
7	L	30.4	Very low	30.6	Very low	147 Å²	147	144.3 Å²	144.3	77%	0.77	77%	0.769	S	S	*	*			cis	105.5	144.1	11.9	-161.2	132.6	0	0	0	115.3
8	S	29.6	Very low	30.7	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	75%	0.752	S	S	*	*			trans	80.3	150.9	-174.9	-11.9	0	0	0	0	115.3
9	S	29.1	Very low	30.8	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	75%	0.75	S	S	*	*			cis	-158.3	163.4	-4.5	-157.3	0	0	0	0	108
10	L	30.4	Very low	30.7	Very low	143 Å²	143	141.9 Å²	141.9	75%	0.749	75%	0.752	S	S	*	*				-171	146.8	60.3	-76.2	164.5	0	0	0	112.4
11	I	29.4	Very low	30.7	Very low	152 Å²	152	141.8 Å²	141.8	78%	0.779	76%	0.757	S	S	*	*			trans	44.2	139.2	134.4	-53.6	175.3	0	0	0	120.5
12	S	27.9	Very low	30.8	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	74%	0.744	S	S	*	*			cis	142.5	128.4	-21.4	176	0	0	0	0	112.3
13	R	29.2	Very low	30.6	Very low	236 Å²	236	136.1 Å²	136.1	89%	0.891	75%	0.746	S	S	*	*			trans	171.5	122.6	148.5	-93.7	161.7	-173.2	-152.5	-1.2	108.4
14	H	31.3	Very low	30.5	Very low	149 Å²	149	135 Å²	135	69%	0.69	74%	0.738	S	S	*	*				68.7	127.1	63.7	-79	-92.3	0	0	0	112.8
15	D	29.3	Very low	30.4	Very low	122 Å²	122	138.3 Å²	138.3	65%	0.652	74%	0.74	S	S	*	*			cis	-144.2	-171.6	-8.1	-77.1	-50.1	0	0	0	108
16	D	33.3	Very low	30.2	Very low	149 Å²	149	135 Å²	135	80%	0.797	74%	0.739	S	S	*	*			cis	-140.8	170.5	9.8	-63.9	-87	0	0	0	108
17	E	33.3	Very low	30.2	Very low	176 Å²	176	134.7 Å²	134.7	82%	0.822	74%	0.742	S	S	*	*			cis	85.8	128.4	19.8	-158.3	71.5	-173.9	0	0	116.7
18	A	32.2	Very low	30.1	Very low	58 Å²	58	134.4 Å²	134.4	48%	0.479	74%	0.737	S	S	.	*			cis	-173.9	173	-29.5	0	0	0	0	0	113.4
19	T	32.4	Very low	30.1	Very low	115 Å²	115	138.2 Å²	138.2	71%	0.706	74%	0.744	S	S	*	*			trans	64.9	166.2	154.9	59.4	0	0	0	0	119.1
20	R	29.9	Very low	30.1	Very low	211 Å²	211	137 Å²	137	80%	0.796	75%	0.747	S	S	*	*			cis	-163.8	171.6	-15.7	-118.9	171.6	172.4	129.2	-3.8	111.7
21	T	29.5	Very low	30	Very low	140 Å²	140	138.3 Å²	138.3	86%	0.859	75%	0.749	S	S	*	*			trans	72.9	167.6	148.6	40.1	0	0	0	0	120.8
22	S	32.5	Very low	30	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	75%	0.746	S	S	*	*			trans	-154.3	140.3	-165.4	174.3	0	0	0	0	111.5
23	T	27.9	Very low	30	Very low	131 Å²	131	141.8 Å²	141.8	80%	0.804	76%	0.76	S	S	*	*			trans	-171.7	161	176.5	42	0	0	0	0	108.6
24	S	28.6	Very low	30	Very low	83 Å²	83	133.7 Å²	133.7	58%	0.58	75%	0.751	S	S	*	*			cis	-174.5	153.5	-39.6	55.1	0	0	0	0	107.9
25	E	31.2	Very low	29.8	Very low	187 Å²	187	135.5 Å²	135.5	87%	0.874	76%	0.759	S	S	*	*			trans	61	156.6	166.2	-62.5	135.9	137.9	0	0	118.2
26	G	28.5	Very low	29.7	Very low	64 Å²	64	134.8 Å²	134.8	66%	0.66	76%	0.76	S	S	*	*			cis	166.5	162.6	-11.2	0	0	0	0	0	112.6
27	L	28.9	Very low	29.3	Very low	157 Å²	157	134.8 Å²	134.8	82%	0.822	76%	0.759	S	S	*	*			trans	70.7	154.8	157	-62.1	180	0	0	0	118
28	E	27.9	Very low	28.9	Very low	140 Å²	140	132.8 Å²	132.8	65%	0.654	75%	0.753	S	S	*	*			cis	-175.4	152.9	-6.8	165.8	169.8	-104.1	0	0	112.3
29	E	29.9	Very low	28.7	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	76%	0.762	S	S	*	*			trans	50.9	160.6	163.7	-72	166.8	-174.9	0	0	121.5
30	G	28	Very low	28.5	Very low	76 Å²	76	136.7 Å²	136.7	78%	0.784	77%	0.765	S	S	*	*			cis	160.1	163.1	-1.7	0	0	0	0	0	109.8
31	E	29.3	Very low	28.5	Very low	171 Å²	171	134 Å²	134	80%	0.799	76%	0.761	S	S	*	*			cis	-165.7	169.6	-15.9	-153	-147.1	125	0	0	110
32	V	28.9	Very low	28.6	Very low	119 Å²	119	132.3 Å²	132.3	72%	0.721	76%	0.755	S	S	*	*			trans	56.3	160.8	168.5	-103	0	0	0	0	119.7
33	E	27.9	Very low	28.5	Very low	192 Å²	192	135.2 Å²	135.2	90%	0.897	76%	0.756	S	S	*	*			cis	-134.8	163.5	8.4	-58.4	176.2	144.6	0	0	110.2
34	G	29.3	Very low	28.7	Very low	67 Å²	67	135.5 Å²	135.5	69%	0.691	75%	0.752	S	S	*	*			cis	176.1	170	-2.5	0	0	0	0	0	112.4
35	E	26.8	Very low	28.7	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	76%	0.763	S	S	*	*			trans	46.5	138.9	158.3	-62.5	-165.2	142.2	0	0	121.7
36	T	26.8	Very low	28.5	Very low	108 Å²	108	135.3 Å²	135.3	66%	0.663	76%	0.758	S	S	*	*			cis	-160.6	150.1	7.7	10.2	0	0	0	0	112.8
37	L	25.8	Very low	28.7	Very low	148 Å²	148	137.7 Å²	137.7	78%	0.775	77%	0.765	S	S	*	*			trans	36.2	135.5	136.3	-66.2	174.3	0	0	0	121.3
38	L	24.9	Very low	28.7	Very low	135 Å²	135	137 Å²	137	71%	0.707	77%	0.766	S	S	*	*			cis	-152.7	146.8	11.8	-91	142.9	0	0	0	112.7
39	I	27.6	Very low	28.7	Very low	129 Å²	129	136.3 Å²	136.3	66%	0.662	77%	0.767	S	S	*	*			trans	-2.1	127.6	140.6	-22.1	171.7	0	0	0	115.4	E41	I39-E41 WeakPolarHBondContact CG2-OE1 3.46Å
40	V	29.1	Very low	28.7	Very low	126 Å²	126	134.7 Å²	134.7	76%	0.764	76%	0.764	S	S	*	*				174.4	144.9	88.7	162	0	0	0	0	105.7
41	E	29.3	Very low	28.9	Very low	154 Å²	154	135.9 Å²	135.9	72%	0.72	76%	0.76	S	S	*	*			cis	-176.4	163.7	-20.8	-104.5	156.6	-124.5	0	0	105.8	I39	I39-E41 WeakPolarHBondContact CG2-OE1 3.46Å
42	S	31.4	Very low	29.2	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	75%	0.753	S	S	*	*			cis	-158.7	-163.1	-2.5	52.4	0	0	0	0	111
43	E	31	Very low	29.2	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	76%	0.759	S	S	*	*			trans	-35.4	121	179.1	-64	174.6	154.3	0	0	117.6
44	D	31.2	Very low	29.5	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	75%	0.75	S	S	*	*				88.2	132.5	74.9	-105.8	26.5	0	0	0	113.7
45	Q	29.5	Very low	29.5	Very low	172 Å²	172	137.1 Å²	137.1	80%	0.804	76%	0.759	S	S	*	*			cis	-141.2	136	9	-85.7	131	29.9	0	0	112.4
46	A	26.1	Very low	29.8	Very low	95 Å²	95	131.9 Å²	131.9	79%	0.785	76%	0.755	S	S	*	*			trans	-161.1	144.2	160.8	0	0	0	0	0	114.8
47	S	32	Very low	29.7	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	77%	0.765	S	S	*	*			trans	51	112.6	153.6	59.9	0	0	0	0	122.4
48	V	30.5	Very low	30.2	Very low	142 Å²	142	132.6 Å²	132.6	86%	0.861	76%	0.764	S	S	*	*			trans	-156.8	146.9	143	-104.4	0	0	0	0	106.5
49	D	26.7	Very low	30.5	Very low	126 Å²	126	133.6 Å²	133.6	67%	0.674	77%	0.769	S	S	*	*			cis	-150.7	168.5	-9	-151.7	5.5	0	0	0	105.6
50	L	30.5	Very low	31.2	Very low	151 Å²	151	135.5 Å²	135.5	79%	0.791	78%	0.78	S	S	*	*				-156.8	142.2	50.6	-75	159.8	0	0	0	110.5
51	S	33.1	Very low	31.4	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	77%	0.774	S	S	*	*			trans	-65.2	129.2	162	53.8	0	0	0	0	110.2
52	H	34.4	Very low	31.5	Very low	141 Å²	141	133.9 Å²	133.9	65%	0.653	78%	0.779	S	S	*	*				47	96.9	81.3	-165.6	96.9	0	0	0	113.9	Q54	H52-Q54 PolarHBondContact CE1-NE2 3.08Å; H52-Q54 PolarHBondContact NE2-NE2 3.11Å
53	D	28.6	Very low	32	Very low	157 Å²	157	137.9 Å²	137.9	84%	0.84	79%	0.786	S	S	*	*			trans	-145.6	160	140.2	-147.6	-17.6	0	0	0	109.9
54	Q	33.9	Very low	32.3	Very low	153 Å²	153	132.3 Å²	132.3	72%	0.715	78%	0.778	S	S	*	*			trans	-109.5	116.3	-161.6	-63.1	179.9	32.1	0	0	113.9	H52	H52-Q54 PolarHBondContact CE1-NE2 3.08Å; H52-Q54 PolarHBondContact NE2-NE2 3.11Å
55	S	30.3	Very low	32.5	Very low	124 Å²	124	130.2 Å²	130.2	87%	0.867	77%	0.766	S	S	*	*			trans	-151.4	147.4	141.7	56.2	0	0	0	0	110.8
56	G	32.5	Very low	32.7	Very low	76 Å²	76	127.3 Å²	127.3	78%	0.784	76%	0.76	S	S	*	*			cis	140.8	46.4	-3.7	0	0	0	0	0	113.8
57	D	25.5	Very low	33.2	Very low	164 Å²	164	127.7 Å²	127.7	88%	0.877	76%	0.757	S	S	*	*			trans	-144.5	148.5	164.6	-134.2	-25.9	0	0	0	112.6
58	S	37	Very low	33.8	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	75%	0.754	S	S	*	*			trans	-103	140.9	174.7	-65.5	0	0	0	0	109.3
59	L	31.2	Very low	34.5	Very low	155 Å²	155	129.1 Å²	129.1	81%	0.812	74%	0.735	S	S	*	*			trans	-153.3	122.7	151.2	-112.1	168	0	0	0	111.8	S61	L59-S61 PolarHBondContact O-N 2.75Å
60	N	40.9	Very low	35.3	Very low	169 Å²	169	130.1 Å²	130.1	90%	0.904	74%	0.735	S	S	*	*			trans	-78.5	111.8	160	-70.4	-53.3	0	0	0	107.5
61	S	33	Very low	36.2	Very low	90 Å²	90	130.6 Å²	130.6	63%	0.629	73%	0.733	S	S	*	*			trans	-149.9	64.6	170	65.1	0	0	0	0	111.5	L59 E63	L59-S61 PolarHBondContact O-N 2.75Å; S61-E63 PolarHBondContact O-N 3.31Å
62	D	33.3	Very low	37.5	Very low	156 Å²	156	132.7 Å²	132.7	83%	0.834	73%	0.732	S	S	*	*			trans	-80.2	47.8	168.2	-161.6	11.9	0	0	0	111	G64	D62-G64 PolarHBondContact O-N 3.38Å
63	E	41.3	Very low	39.2	Very low	188 Å²	188	128 Å²	128	88%	0.879	71%	0.712	S	S	*	*			trans	-81.3	57.3	166.2	-66.4	-158.1	136.3	0	0	108.9	S61	S61-E63 PolarHBondContact O-N 3.31Å
64	G	37.3	Very low	41.7	Very low	63 Å²	63	122 Å²	122	65%	0.649	68%	0.682	S	S	*	*	S	Bend	trans	-120.9	-32.8	-164.8	0	0	0	0	0	116.5	D62	D62-G64 PolarHBondContact O-N 3.38Å
65	D	35	Very low	44	Very low	92 Å²	92	115 Å²	115	49%	0.492	65%	0.649	S	S	.	*			trans	-146.5	60.9	-178.9	-164.7	14.5	0	0	0	114.9
66	V	33.6	Very low	46.6	Very low	111 Å²	111	110.4 Å²	110.4	67%	0.673	61%	0.613	S	S	*	*			trans	-78.3	-12.4	169.5	-169.6	0	0	0	0	111.4	W68 M69	V66-W68 PolarHBondContact O-N 3.12Å; V66-M69 PolarHBondContact O-N 3.03Å
67	S	36.7	Very low	49.2	Very low	102 Å²	102	106.8 Å²	106.8	71%	0.713	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-23.9	-164.1	-163.9	0	0	0	0	115.4
68	W	44.5	Very low	52.1	Low	193 Å²	193	101.9 Å²	101.9	73%	0.731	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-8.9	-177.2	-71.9	102.5	0	0	0	115.3	V66	V66-W68 PolarHBondContact O-N 3.12Å
69	M	45.4	Very low	54.3	Low	93 Å²	93	102.7 Å²	102.7	46%	0.458	54%	0.54	S	S	.	.	S	Bend	trans	-95.1	-13.2	-164.3	-71.8	-168.3	-80.6	0	0	116.3	V66 L137	V66-M69 PolarHBondContact O-N 3.03Å; M69-L137 HydrophobicContact SD-CD2 3.56Å; M69-L137 VanDerWaalsContact SD-CD2 3.56Å
70	E	42.6	Very low	56.9	Low	146 Å²	146	97.3 Å²	97.3	68%	0.682	52%	0.515	S	S	*	.	S	Bend	trans	-101.9	-27.6	-175.3	-161	107.9	-90.9	0	0	113.9	Q72 K97	E70-Q72 PolarHBondContact O-N 3.07Å; E70-K97 IonicContact OE1-NZ 3.89Å; E70-K97 PolarHBondContact OE1-NZ 3.21Å
71	E	49.7	Very low	59	Low	162 Å²	162	93.8 Å²	93.8	76%	0.757	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.9	-157.3	-146	-177.5	-142	0	0	116.4
72	Q	59.7	Low	61.4	Low	144 Å²	144	96 Å²	96	67%	0.673	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	15.9	-168.4	-83.3	171.4	37.8	0	0	116.9	E70 S74	E70-Q72 PolarHBondContact O-N 3.07Å; Q72-S74 PolarHBondContact O-N 3.39Å; Q72-S74 VanDerWaalsContact O-N 3.16Å
73	L	71.8	Confident	63.8	Low	44 Å²	44	94.3 Å²	94.3	23%	0.23	47%	0.473	C	S	.	.			trans	-69.1	113.8	163.3	-161.4	73.9	0	0	0	108.9	Y75 A86 N100	L73-Y75 HydrophobicContact CD2-CE2 4.34Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.49Å; L73-Y75 HydrophobicContact CG-CE2 4.4Å; L73-A86 HydrophobicContact CB-CB 4.14Å; L73-A86 HydrophobicContact CD2-CB 4.29Å; L73-A86 HydrophobicContact CG-CB 4.45Å; L73-A86 VanDerWaalsContact O-CB 3.27Å; L73-A86 WeakPolarHBondContact O-CB 3.43Å; L73-A86 PolarHBondContact O-N 3.46Å; L73-N100 HydrophobicContact CD1-CB 4.2Å
74	S	80.1	Confident	65.8	Low	31 Å²	31	86.5 Å²	86.5	22%	0.217	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.8	-177.8	55.8	0	0	0	0	111.6	Q72 I84 N100	Q72-S74 PolarHBondContact O-N 3.39Å; Q72-S74 VanDerWaalsContact O-N 3.16Å; S74-I84 WeakPolarHBondContact CA-O 3.49Å; S74-N100 PolarHBondContact O-ND2 3.11Å
75	Y	83.1	Confident	68	Low	5 Å²	5	85.6 Å²	85.6	2%	0.02	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.2	-174	-59.6	-88.8	0	0	0	110.1	L73 W83 I84 A86 L89 L93 N100 F102	L73-Y75 HydrophobicContact CD2-CE2 4.34Å; L73-Y75 WeakPolarHBondContact CD2-OH 3.49Å; L73-Y75 HydrophobicContact CG-CE2 4.4Å; Y75-W83 WeakPolarHBondContact O-CA 3.35Å; Y75-I84 PolarHBondContact N-O 3.06Å; Y75-I84 PolarHBondContact O-N 3.11Å; Y75-A86 HydrophobicContact CD2-CB 4.5Å; Y75-A86 HydrophobicContact CE2-CB 3.85Å; Y75-L89 HydrophobicContact CD2-CD1 3.51Å; Y75-L89 HydrophobicContact CE2-CD1 3.66Å; Y75-L89 HydrophobicContact CG-CD1 4.32Å; Y75-L93 HydrophobicContact CD1-CD1 3.76Å; Y75-L93 HydrophobicContact CD2-CD1 4.17Å; Y75-L93 HydrophobicContact CE1-CB 4.14Å; Y75-L93 HydrophobicContact CE1-CD1 3.71Å; Y75-L93 HydrophobicContact CE2-CD1 4.12Å; Y75-L93 HydrophobicContact CG-CD1 3.98Å; Y75-N100 HydrophobicContact CD1-CB 4.43Å; Y75-N100 HydrophobicContact CE1-CB 4.3Å; Y75-F102 HydrophobicContact CD1-CB 4.4Å; Y75-F102 HydrophobicContact CD1-CD2 4.34Å; Y75-F102 AromaticContact CE1-CD2 3.71Å; Y75-F102 HydrophobicContact CE1-CD2 3.71Å; Y75-F102 HydrophobicContact CE1-CE2 4.27Å; Y75-F102 HydrophobicContact CE1-CG 4.37Å
76	F	85.3	Confident	69.9	Low	27 Å²	27	83 Å²	83	12%	0.118	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.6	-178.9	-171.3	-95.9	0	0	0	110.6	D78 Q81 W83 P214	F76-D78 PolarHBondContact O-N 2.97Å; F76-Q81 HydrophobicContact CE1-CB 4.47Å; F76-Q81 WeakPolarHBondContact CE2-O 3.5Å; F76-Q81 VanDerWaalsContact CZ-CA 3.48Å; F76-Q81 HydrophobicContact CZ-CB 3.81Å; F76-Q81 HydrophobicContact CZ-CG 4.33Å; F76-W83 HydrophobicContact CB-CD2 4.23Å; F76-W83 HydrophobicContact CB-CE3 4Å; F76-W83 HydrophobicContact CB-CH2 4.13Å; F76-W83 HydrophobicContact CB-CZ2 4.34Å; F76-W83 HydrophobicContact CB-CZ3 3.95Å; F76-W83 AromaticContact CD2-CD2 3.93Å; F76-W83 HydrophobicContact CD2-CD2 3.93Å; F76-W83 AromaticContact CD2-CE2 3.67Å; F76-W83 HydrophobicContact CD2-CG 4.17Å; F76-W83 HydrophobicContact CD2-CZ2 4.09Å; F76-W83 AromaticContact CD2-NE1 3.75Å; F76-P214 HydrophobicContact CB-CB 4.45Å; F76-P214 HydrophobicContact CD1-CB 3.39Å; F76-P214 HydrophobicContact CD1-CG 4.08Å; F76-P214 HydrophobicContact CD2-CB 4.14Å; F76-P214 HydrophobicContact CD2-CG 3.89Å; F76-P214 HydrophobicContact CE1-CB 3.43Å; F76-P214 VanDerWaalsContact CE1-CB 3.43Å; F76-P214 HydrophobicContact CE1-CG 4.03Å; F76-P214 HydrophobicContact CE2-CB 4.17Å; F76-P214 HydrophobicContact CE2-CG 3.84Å; F76-P214 HydrophobicContact CG-CB 3.73Å; F76-P214 HydrophobicContact CG-CG 3.98Å; F76-P214 HydrophobicContact CZ-CB 3.82Å; F76-P214 HydrophobicContact CZ-CG 3.89Å
77	C	87	Confident	71.8	Confident	0 Å²	0	83 Å²	83	0%	0	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-81.8	115.2	176.5	178.8	0	0	0	0	110.9	K79 C80 Q81 K82 I84 F104 C106	C77-K79 PolarHBondContact O-N 2.77Å; C77-K79 VanDerWaalsContact O-N 3.09Å; C77-C80 VanDerWaalsContact CB-SG 3.51Å; C77-C80 PolarHBondContact SG-SG 3.19Å; C77-Q81 WeakPolarHBondContact O-CA 3.35Å; C77-Q81 PolarHBondContact O-N 3.09Å; C77-K82 PolarHBondContact N-O 3.18Å; C77-I84 HydrophobicContact CB-CD1 4.3Å; C77-F104 WeakPolarHBondContact CA-O 3.1Å; C77-F104 HydrophobicContact CB-CD1 4.12Å; C77-F104 HydrophobicContact CB-CE1 4.4Å; C77-C106 PolarHBondContact SG-N 3.49Å; C77-C106 VanDerWaalsContact SG-N 3.44Å; C77-C106 VanDerWaalsContact SG-SG 3.67Å
78	D	85	Confident	73.6	Confident	62 Å²	62	84.7 Å²	84.7	33%	0.332	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.8	-178.9	-89.5	6.9	0	0	0	113	F76 Q81 R103 F104	F76-D78 PolarHBondContact O-N 2.97Å; D78-Q81 PolarHBondContact O-NE2 3.47Å; D78-R103 WeakPolarHBondContact OD2-CD 2.96Å; D78-R103 WeakPolarHBondContact OD2-CG 3.25Å; D78-R103 IonicContact OD2-CZ 3.76Å; D78-R103 IonicContact OD2-NE 2.6Å; D78-R103 IonicContact OD2-NH1 2.76Å; D78-R103 PolarHBondContact OD2-NH1 3.46Å; D78-F104 PolarHBondContact N-O 3.39Å
79	K	84.6	Confident	75	Confident	123 Å²	123	76.8 Å²	76.8	54%	0.535	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-50.7	-176.1	-73.5	-178.9	177	174.1	0	114.2	C77 T105 C109	C77-K79 PolarHBondContact O-N 2.77Å; C77-K79 VanDerWaalsContact O-N 3.09Å; K79-T105 HydrophobicContact CD-CG2 3.84Å; K79-C109 HydrophobicContact CB-CB 3.68Å; K79-C109 HydrophobicContact CD-CB 3.77Å; K79-C109 WeakPolarHBondContact CD-O 3.43Å; K79-C109 HydrophobicContact CG-CB 4.37Å; K79-C109 PolarHBondContact NZ-O 2.9Å
80	C	85.9	Confident	75.9	Confident	43 Å²	43	80.4 Å²	80.4	29%	0.291	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.1	-179.3	66.7	0	0	0	0	114.3	C77 K82	C77-C80 VanDerWaalsContact CB-SG 3.51Å; C77-C80 PolarHBondContact SG-SG 3.19Å; C80-K82 PolarHBondContact O-N 3.39Å
81	Q	83.8	Confident	77.2	Confident	94 Å²	94	79 Å²	79	44%	0.439	39%	0.387	S	S	.	.			trans	57.7	26.9	178.4	-56.9	-76.9	-62.2	0	0	113.7	F76 C77 D78	F76-Q81 HydrophobicContact CE1-CB 4.47Å; F76-Q81 WeakPolarHBondContact CE2-O 3.5Å; F76-Q81 VanDerWaalsContact CZ-CA 3.48Å; F76-Q81 HydrophobicContact CZ-CB 3.81Å; F76-Q81 HydrophobicContact CZ-CG 4.33Å; C77-Q81 WeakPolarHBondContact O-CA 3.35Å; C77-Q81 PolarHBondContact O-N 3.09Å; D78-Q81 PolarHBondContact O-NE2 3.47Å
82	K	83.6	Confident	78.1	Confident	138 Å²	138	78.8 Å²	78.8	60%	0.6	39%	0.386	S	S	*	.			trans	-104.1	146.3	176.2	-64.1	179.2	-177.3	178.8	0	110.8	C77 C80	C77-K82 PolarHBondContact N-O 3.18Å; C80-K82 PolarHBondContact O-N 3.39Å
83	W	84.5	Confident	78.8	Confident	119 Å²	119	72.6 Å²	72.6	45%	0.451	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.5	162.6	-67.4	96.3	0	0	0	109.3	Y75 F76 P214	Y75-W83 WeakPolarHBondContact O-CA 3.35Å; F76-W83 HydrophobicContact CB-CD2 4.23Å; F76-W83 HydrophobicContact CB-CE3 4Å; F76-W83 HydrophobicContact CB-CH2 4.13Å; F76-W83 HydrophobicContact CB-CZ2 4.34Å; F76-W83 HydrophobicContact CB-CZ3 3.95Å; F76-W83 AromaticContact CD2-CD2 3.93Å; F76-W83 HydrophobicContact CD2-CD2 3.93Å; F76-W83 AromaticContact CD2-CE2 3.67Å; F76-W83 HydrophobicContact CD2-CG 4.17Å; F76-W83 HydrophobicContact CD2-CZ2 4.09Å; F76-W83 AromaticContact CD2-NE1 3.75Å; W83-P214 HydrophobicContact CZ2-CG 4.25Å
84	I	83.4	Confident	79.1	Confident	25 Å²	25	70.7 Å²	70.7	13%	0.128	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.3	177.9	-71.9	166	0	0	0	107.6	S74 Y75 C77 Q88 L89 F104 C106	S74-I84 WeakPolarHBondContact CA-O 3.49Å; Y75-I84 PolarHBondContact N-O 3.06Å; Y75-I84 PolarHBondContact O-N 3.11Å; C77-I84 HydrophobicContact CB-CD1 4.3Å; I84-Q88 HydrophobicContact CG2-CB 4.09Å; I84-L89 HydrophobicContact CG2-CD2 3.8Å; I84-F104 HydrophobicContact CB-CE1 4.31Å; I84-F104 HydrophobicContact CD1-CE1 3.95Å; I84-C106 HydrophobicContact CD1-CB 3.49Å; I84-C106 VanDerWaalsContact CD1-CB 3.49Å
85	P	83.1	Confident	79	Confident	43 Å²	43	74.8 Å²	74.8	28%	0.279	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	145.9	175.7	-25.1	34.6	0	0	0	112.4	S87 Q88	P85-S87 PolarHBondContact O-N 3.44Å; P85-Q88 HydrophobicContact CB-CG 4.41Å; P85-Q88 PolarHBondContact O-N 2.94Å
86	A	75.4	Confident	79	Confident	37 Å²	37	74.9 Å²	74.9	31%	0.306	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-58	-30.4	176.8	0	0	0	0	0	112.8	L73 Y75 Q88 L89	L73-A86 HydrophobicContact CB-CB 4.14Å; L73-A86 HydrophobicContact CD2-CB 4.29Å; L73-A86 HydrophobicContact CG-CB 4.45Å; L73-A86 VanDerWaalsContact O-CB 3.27Å; L73-A86 WeakPolarHBondContact O-CB 3.43Å; L73-A86 PolarHBondContact O-N 3.46Å; Y75-A86 HydrophobicContact CD2-CB 4.5Å; Y75-A86 HydrophobicContact CE2-CB 3.85Å; A86-Q88 PolarHBondContact O-N 3.23Å; A86-L89 PolarHBondContact O-N 2.69Å
87	S	73.5	Confident	78.9	Confident	113 Å²	113	78.3 Å²	78.3	79%	0.79	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-68.2	-9.7	175.2	51.3	0	0	0	0	114.8	P85	P85-S87 PolarHBondContact O-N 3.44Å
88	Q	72.9	Confident	78.5	Confident	137 Å²	137	78.8 Å²	78.8	64%	0.64	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-103.8	3.5	175.9	-63.5	-177.1	-4.6	0	0	112.9	I84 P85 A86	I84-Q88 HydrophobicContact CG2-CB 4.09Å; P85-Q88 HydrophobicContact CB-CG 4.41Å; P85-Q88 PolarHBondContact O-N 2.94Å; A86-Q88 PolarHBondContact O-N 3.23Å
89	L	73.6	Confident	78.6	Confident	26 Å²	26	75.9 Å²	75.9	14%	0.136	36%	0.364	C	S	.	.			trans	-90.4	147.8	175.9	-57.6	-173.8	0	0	0	111.3	Y75 I84 A86 L93 F104	Y75-L89 HydrophobicContact CD2-CD1 3.51Å; Y75-L89 HydrophobicContact CE2-CD1 3.66Å; Y75-L89 HydrophobicContact CG-CD1 4.32Å; I84-L89 HydrophobicContact CG2-CD2 3.8Å; A86-L89 PolarHBondContact O-N 2.69Å; L89-L93 HydrophobicContact CD1-CD1 3.59Å; L89-L93 HydrophobicContact CD1-CG 3.85Å; L89-F104 HydrophobicContact CD2-CE1 4.07Å; L89-F104 HydrophobicContact CD2-CE2 3.75Å; L89-F104 HydrophobicContact CD2-CZ 3.29Å
90	R	65.4	Low	78.6	Confident	170 Å²	170	70.8 Å²	70.8	64%	0.642	34%	0.343	S	S	*	.	S	Bend	trans	-80.9	-14.1	174.7	-74.3	-179.7	-71.8	-171.7	-4	113.8	G113 E115	R90-G113 PolarHBondContact NH2-O 2.86Å; R90-E115 IonicContact CZ-OE1 3.14Å; R90-E115 PolarHBondContact N-OE2 3.34Å; R90-E115 IonicContact NE-OE1 2.77Å; R90-E115 PolarHBondContact NE-OE1 3.45Å; R90-E115 IonicContact NH2-OE1 2.67Å; R90-E115 PolarHBondContact NH2-OE1 3.06Å
91	E	69.2	Low	78.7	Confident	117 Å²	117	69 Å²	69	55%	0.547	33%	0.33	S	S	.	.	S	Bend	trans	-140	136.6	-179.1	-170	169.5	177	0	0	111.5	L93 Y117	E91-L93 PolarHBondContact O-N 2.84Å; E91-Y117 PolarHBondContact OE1-OH 2.96Å; E91-Y117 PolarHBondContact OE2-OH 3.45Å
92	Q	70.1	Confident	78.8	Confident	156 Å²	156	65.1 Å²	65.1	73%	0.729	31%	0.312	S	S	*	.			trans	-77.8	94.7	-178.5	-176.3	177.5	-11.8	0	0	110.9	S94	Q92-S94 VanDerWaalsContact CG-O 3.3Å; Q92-S94 WeakPolarHBondContact CG-O 3.33Å; Q92-S94 PolarHBondContact NE2-O 2.77Å; Q92-S94 PolarHBondContact O-N 2.67Å; Q92-S94 VanDerWaalsContact O-N 3.16Å
93	L	72.9	Confident	78.9	Confident	15 Å²	15	63.6 Å²	63.6	8%	0.079	30%	0.303	C	S	.	.	S	Bend	trans	-56.4	-31.2	-177.2	-58.7	-178.8	0	0	0	114.6	Y75 L89 E91 F102 F104 Y117	Y75-L93 HydrophobicContact CD1-CD1 3.76Å; Y75-L93 HydrophobicContact CD2-CD1 4.17Å; Y75-L93 HydrophobicContact CE1-CB 4.14Å; Y75-L93 HydrophobicContact CE1-CD1 3.71Å; Y75-L93 HydrophobicContact CE2-CD1 4.12Å; Y75-L93 HydrophobicContact CG-CD1 3.98Å; L89-L93 HydrophobicContact CD1-CD1 3.59Å; L89-L93 HydrophobicContact CD1-CG 3.85Å; E91-L93 PolarHBondContact O-N 2.84Å; L93-F102 HydrophobicContact CB-CD1 4.45Å; L93-F102 HydrophobicContact CB-CE1 4.25Å; L93-F102 HydrophobicContact CB-CE2 4.42Å; L93-F102 HydrophobicContact CB-CZ 4.24Å; L93-F102 WeakPolarHBondContact O-CE1 3.26Å; L93-F102 WeakPolarHBondContact O-CZ 3.29Å; L93-F104 HydrophobicContact CD1-CD2 4.06Å; L93-F104 HydrophobicContact CD1-CE2 4.43Å; L93-Y117 HydrophobicContact CD2-CD1 3.44Å; L93-Y117 VanDerWaalsContact CD2-CD1 3.44Å; L93-Y117 HydrophobicContact CD2-CD2 3.61Å; L93-Y117 HydrophobicContact CD2-CE1 3.76Å; L93-Y117 HydrophobicContact CD2-CE2 3.89Å; L93-Y117 HydrophobicContact CD2-CG 3.36Å
94	S	77.8	Confident	79	Confident	4 Å²	4	58 Å²	58	3%	0.028	28%	0.281	C	S	.	.			trans	-138.2	134.5	179.1	-178.7	0	0	0	0	112.7	Q92 L96 F162	Q92-S94 VanDerWaalsContact CG-O 3.3Å; Q92-S94 WeakPolarHBondContact CG-O 3.33Å; Q92-S94 PolarHBondContact NE2-O 2.77Å; Q92-S94 PolarHBondContact O-N 2.67Å; Q92-S94 VanDerWaalsContact O-N 3.16Å; S94-L96 PolarHBondContact OG-N 2.85Å; S94-L96 PolarHBondContact OG-O 3.07Å; S94-F162 WeakPolarHBondContact OG-CZ 3.14Å
95	Y	78.9	Confident	79.2	Confident	116 Å²	116	57.4 Å²	57.4	46%	0.455	28%	0.279	S	S	.	.	S	Bend	trans	-86.3	-14.4	167.5	68.4	-102.7	0	0	0	113.1	H159 F162	Y95-H159 AromaticContact CE2-CE1 3.7Å; Y95-H159 AromaticContact CE2-ND1 3.35Å; Y95-H159 VanDerWaalsContact CE2-ND1 3.35Å; Y95-H159 WeakPolarHBondContact CE2-ND1 3.34Å; Y95-H159 AromaticContact CZ-ND1 3.58Å; Y95-H159 PolarHBondContact OH-ND1 3.43Å; Y95-F162 HydrophobicContact CD1-CD2 4.19Å; Y95-F162 HydrophobicContact CD1-CE2 4.14Å; Y95-F162 HydrophobicContact CD1-CG 4.41Å; Y95-F162 HydrophobicContact CD1-CZ 4.34Å; Y95-F162 HydrophobicContact CE1-CB 3.95Å; Y95-F162 AromaticContact CE1-CD1 3.84Å; Y95-F162 HydrophobicContact CE1-CD1 3.84Å; Y95-F162 AromaticContact CE1-CD2 3.54Å; Y95-F162 HydrophobicContact CE1-CD2 3.54Å; Y95-F162 HydrophobicContact CE1-CE1 4.24Å; Y95-F162 AromaticContact CE1-CE2 3.96Å; Y95-F162 HydrophobicContact CE1-CE2 3.96Å; Y95-F162 AromaticContact CE1-CG 3.49Å; Y95-F162 HydrophobicContact CE1-CG 3.49Å; Y95-F162 VanDerWaalsContact CE1-CG 3.49Å; Y95-F162 HydrophobicContact CE1-CZ 4.29Å; Y95-F162 HydrophobicContact CE2-CD1 4.46Å; Y95-F162 AromaticContact CZ-CD1 3.78Å; Y95-F162 AromaticContact CZ-CG 3.71Å; Y95-F162 VanDerWaalsContact OH-CB 3.23Å; Y95-F162 WeakPolarHBondContact OH-CB 3.27Å
96	L	83.9	Confident	79.4	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	27%	0.267	C	S	.	.	S	Bend	trans	-85.4	127.9	173.4	-66.7	-177.2	0	0	0	110	S94 D99 F155 F162 L163	S94-L96 PolarHBondContact OG-N 2.85Å; S94-L96 PolarHBondContact OG-O 3.07Å; L96-D99 HydrophobicContact CB-CB 4.07Å; L96-D99 PolarHBondContact O-N 3.31Å; L96-F155 HydrophobicContact CD2-CE1 4.14Å; L96-F155 HydrophobicContact CD2-CZ 3.77Å; L96-F162 HydrophobicContact CB-CE1 4.24Å; L96-F162 HydrophobicContact CD1-CD1 3.76Å; L96-F162 HydrophobicContact CD1-CE1 3.83Å; L96-F162 HydrophobicContact CG-CD1 4.07Å; L96-F162 HydrophobicContact CG-CE1 3.89Å; L96-L163 HydrophobicContact CD1-CD1 4.26Å; L96-L163 HydrophobicContact CD1-CD2 3.58Å; L96-L163 HydrophobicContact CD1-CG 3.93Å
97	K	81.7	Confident	79.9	Confident	99 Å²	99	55.4 Å²	55.4	43%	0.43	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	140.8	176.3	-62.7	-74.4	-172.8	177.9	0	109.4	E70 D99 Y133 N134 L137	E70-K97 IonicContact OE1-NZ 3.89Å; E70-K97 PolarHBondContact OE1-NZ 3.21Å; K97-D99 VanDerWaalsContact C-N 3.27Å; K97-D99 PolarHBondContact O-N 3.19Å; K97-Y133 HydrophobicContact CB-CE1 4.17Å; K97-N134 PolarHBondContact N-OD1 3.49Å; K97-N134 PolarHBondContact O-ND2 3.39Å; K97-L137 HydrophobicContact CB-CD1 3.6Å; K97-L137 HydrophobicContact CG-CD1 3.9Å
98	G	80.1	Confident	80.4	Confident	11 Å²	11	57 Å²	57	11%	0.113	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-0.2	179.7	0	0	0	0	0	116.4	N100 P209	G98-N100 PolarHBondContact O-N 3.02Å; G98-P209 WeakPolarHBondContact O-CB 3.15Å
99	D	86.6	Confident	81	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.			trans	-90.8	97.6	-177.9	-173.4	-12.7	0	0	0	111.8	L96 K97 F101 R119 L130 F162	L96-D99 HydrophobicContact CB-CB 4.07Å; L96-D99 PolarHBondContact O-N 3.31Å; K97-D99 VanDerWaalsContact C-N 3.27Å; K97-D99 PolarHBondContact O-N 3.19Å; D99-F101 PolarHBondContact OD1-N 3.44Å; D99-R119 IonicContact OD1-CZ 3.05Å; D99-R119 IonicContact OD1-NH1 3.69Å; D99-R119 PolarHBondContact OD1-NH1 3.05Å; D99-R119 IonicContact OD1-NH2 3.28Å; D99-R119 IonicContact OD2-CZ 3.15Å; D99-R119 VanDerWaalsContact OD2-CZ 3.23Å; D99-R119 IonicContact OD2-NH1 3.23Å; D99-R119 PolarHBondContact OD2-NH1 2.85Å; D99-R119 IonicContact OD2-NH2 2.82Å; D99-R119 PolarHBondContact OD2-NH2 2.86Å; D99-L130 HydrophobicContact CB-CD1 4.09Å; D99-L130 HydrophobicContact CB-CD2 3.88Å; D99-F162 WeakPolarHBondContact OD2-CE1 3.39Å
100	N	84.7	Confident	81.6	Confident	17 Å²	17	51.5 Å²	51.5	9%	0.091	24%	0.242	C	C	.	.			trans	-105.4	21.5	176.2	74.9	-10.2	0	0	0	114.5	L73 S74 Y75 G98 F102 M212	L73-N100 HydrophobicContact CD1-CB 4.2Å; S74-N100 PolarHBondContact O-ND2 3.11Å; Y75-N100 HydrophobicContact CD1-CB 4.43Å; Y75-N100 HydrophobicContact CE1-CB 4.3Å; G98-N100 PolarHBondContact O-N 3.02Å; N100-F102 VanDerWaalsContact C-N 3.27Å; N100-F102 PolarHBondContact O-N 2.77Å; N100-M212 WeakPolarHBondContact O-CG 3.4Å; N100-M212 WeakPolarHBondContact OD1-CB 3.47Å; N100-M212 WeakPolarHBondContact OD1-CG 3.43Å; N100-M212 PolarHBondContact OD1-N 3.24Å; N100-M212 VanDerWaalsContact OD1-N 3.07Å
101	F	87.5	Confident	82.2	Confident	4 Å²	4	48 Å²	48	2%	0.018	25%	0.25	C	S	.	.			trans	-81.2	63.8	-173.8	-68.1	-85.1	0	0	0	114	D99 L120 L122 Q126 L130 P210 M212	D99-F101 PolarHBondContact OD1-N 3.44Å; F101-L120 HydrophobicContact CB-CB 4.46Å; F101-L120 WeakPolarHBondContact O-CB 3.3Å; F101-L120 PolarHBondContact O-N 2.94Å; F101-L122 HydrophobicContact CB-CD2 3.46Å; F101-L122 VanDerWaalsContact CB-CD2 3.46Å; F101-L122 HydrophobicContact CD1-CD2 3.79Å; F101-L122 HydrophobicContact CD2-CD2 3.73Å; F101-L122 HydrophobicContact CG-CD2 3.33Å; F101-Q126 HydrophobicContact CE1-CG 4.18Å; F101-Q126 HydrophobicContact CZ-CG 4.04Å; F101-L130 HydrophobicContact CD2-CD1 4.25Å; F101-L130 HydrophobicContact CE2-CD1 4.48Å; F101-P210 HydrophobicContact CE2-CB 4.24Å; F101-P210 HydrophobicContact CE2-CG 3.96Å; F101-P210 WeakPolarHBondContact CE2-O 3.25Å; F101-P210 HydrophobicContact CZ-CB 4.06Å; F101-P210 HydrophobicContact CZ-CG 4.27Å; F101-P210 VanDerWaalsContact CZ-O 3.27Å; F101-P210 WeakPolarHBondContact CZ-O 3.34Å; F101-M212 HydrophobicContact CD1-CG 3.57Å; F101-M212 HydrophobicContact CD1-SD 3.41Å; F101-M212 WeakPolarHBondContact CD1-SD 3.44Å; F101-M212 HydrophobicContact CE1-CG 3.7Å; F101-M212 HydrophobicContact CE1-SD 3.66Å; F101-M212 HydrophobicContact CG-CG 4.09Å; F101-M212 HydrophobicContact CG-SD 4.36Å; F101-M212 HydrophobicContact CZ-CG 4.33Å
102	F	86.3	Confident	82.8	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.4	178.3	-60.5	-102.7	0	0	0	110.2	Y75 L93 N100 Y117 E118 R119 F162	Y75-F102 HydrophobicContact CD1-CB 4.4Å; Y75-F102 HydrophobicContact CD1-CD2 4.34Å; Y75-F102 AromaticContact CE1-CD2 3.71Å; Y75-F102 HydrophobicContact CE1-CD2 3.71Å; Y75-F102 HydrophobicContact CE1-CE2 4.27Å; Y75-F102 HydrophobicContact CE1-CG 4.37Å; L93-F102 HydrophobicContact CB-CD1 4.45Å; L93-F102 HydrophobicContact CB-CE1 4.25Å; L93-F102 HydrophobicContact CB-CE2 4.42Å; L93-F102 HydrophobicContact CB-CZ 4.24Å; L93-F102 WeakPolarHBondContact O-CE1 3.26Å; L93-F102 WeakPolarHBondContact O-CZ 3.29Å; N100-F102 VanDerWaalsContact C-N 3.27Å; N100-F102 PolarHBondContact O-N 2.77Å; F102-Y117 HydrophobicContact CD1-CD2 4.47Å; F102-E118 CarbonylContact C-O 3.53Å; F102-E118 WeakPolarHBondContact CA-O 3.41Å; F102-R119 HydrophobicContact CD1-CB 4.42Å; F102-R119 HydrophobicContact CE1-CB 4.34Å; F102-F162 HydrophobicContact CZ-CZ 4.25Å
103	R	85.1	Confident	83.1	Confident	106 Å²	106	42.1 Å²	42.1	40%	0.4	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.8	155.5	-173.5	-175.4	-56	-70.6	-1.1	107	D78 Y117 E118 L120	D78-R103 WeakPolarHBondContact OD2-CD 2.96Å; D78-R103 WeakPolarHBondContact OD2-CG 3.25Å; D78-R103 IonicContact OD2-CZ 3.76Å; D78-R103 IonicContact OD2-NE 2.6Å; D78-R103 IonicContact OD2-NH1 2.76Å; D78-R103 PolarHBondContact OD2-NH1 3.46Å; R103-Y117 CarbonylContact O-C 3.41Å; R103-Y117 VanDerWaalsContact O-CA 3.26Å; R103-Y117 WeakPolarHBondContact O-CA 3.45Å; R103-E118 HydrophobicContact CB-CB 4.08Å; R103-E118 PolarHBondContact N-O 3.31Å; R103-E118 IonicContact NE-OE2 2.67Å; R103-E118 PolarHBondContact NE-OE2 3.02Å; R103-E118 VanDerWaalsContact NE-OE2 3.15Å; R103-E118 PolarHBondContact O-N 3.46Å; R103-L120 HydrophobicContact CB-CD2 4.25Å
104	F	87.4	Confident	83.5	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.3	-174.7	177.3	-109.5	0	0	0	112.1	C77 D78 I84 L89 L93 C106 E115	C77-F104 WeakPolarHBondContact CA-O 3.1Å; C77-F104 HydrophobicContact CB-CD1 4.12Å; C77-F104 HydrophobicContact CB-CE1 4.4Å; D78-F104 PolarHBondContact N-O 3.39Å; I84-F104 HydrophobicContact CB-CE1 4.31Å; I84-F104 HydrophobicContact CD1-CE1 3.95Å; L89-F104 HydrophobicContact CD2-CE1 4.07Å; L89-F104 HydrophobicContact CD2-CE2 3.75Å; L89-F104 HydrophobicContact CD2-CZ 3.29Å; L93-F104 HydrophobicContact CD1-CD2 4.06Å; L93-F104 HydrophobicContact CD1-CE2 4.43Å; F104-C106 HydrophobicContact CE1-CB 3.94Å; F104-C106 HydrophobicContact CZ-CB 4.09Å; F104-E115 HydrophobicContact CE2-CB 3.93Å; F104-E115 HydrophobicContact CE2-CG 3.82Å; F104-E115 HydrophobicContact CZ-CB 4.44Å; F104-E115 HydrophobicContact CZ-CG 3.86Å
105	T	87	Confident	83.9	Confident	14 Å²	14	49.9 Å²	49.9	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	121.7	169.8	-74	0	0	0	0	108.5	K79 C109 E115 Q116	K79-T105 HydrophobicContact CD-CG2 3.84Å; T105-C109 HydrophobicContact CG2-CB 3.98Å; T105-E115 WeakPolarHBondContact O-CA 3.33Å; T105-Q116 PolarHBondContact N-O 2.81Å; T105-Q116 PolarHBondContact O-N 2.86Å
106	C	88	Confident	84	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.027	27%	0.267	C	S	.	.			trans	-71.1	164.2	-179.5	66.2	0	0	0	0	113	C77 I84 F104 D108 C109 S110	C77-C106 PolarHBondContact SG-N 3.49Å; C77-C106 VanDerWaalsContact SG-N 3.44Å; C77-C106 VanDerWaalsContact SG-SG 3.67Å; I84-C106 HydrophobicContact CD1-CB 3.49Å; I84-C106 VanDerWaalsContact CD1-CB 3.49Å; F104-C106 HydrophobicContact CE1-CB 3.94Å; F104-C106 HydrophobicContact CZ-CB 4.09Å; C106-D108 VanDerWaalsContact C-N 3.27Å; C106-D108 PolarHBondContact O-N 3.34Å; C106-C109 PolarHBondContact O-N 2.79Å; C106-C109 VanDerWaalsContact O-N 3.11Å; C106-C109 VanDerWaalsContact SG-SG 3.67Å; C106-S110 PolarHBondContact O-N 3.48Å; C106-S110 VanDerWaalsContact O-N 3.08Å
107	S	86.1	Confident	84.1	Confident	34 Å²	34	53.1 Å²	53.1	24%	0.238	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-38.8	-54.7	172.1	42.5	0	0	0	0	113	C109 S110	S107-C109 PolarHBondContact O-N 2.76Å; S107-S110 WeakPolarHBondContact O-CB 3.34Å; S107-S110 PolarHBondContact O-N 2.97Å; S107-S110 VanDerWaalsContact O-N 3.11Å
108	D	84.2	Confident	84.2	Confident	145 Å²	145	53.5 Å²	53.5	78%	0.775	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-72.3	-15.1	-168.6	-31.8	-27.5	0	0	0	112.7	C106	C106-D108 VanDerWaalsContact C-N 3.27Å; C106-D108 PolarHBondContact O-N 3.34Å
109	C	85.4	Confident	84.4	Confident	36 Å²	36	56 Å²	56	24%	0.243	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-109.8	-3.9	178.4	-67.1	0	0	0	0	112.6	K79 T105 C106 S107	K79-C109 HydrophobicContact CB-CB 3.68Å; K79-C109 HydrophobicContact CD-CB 3.77Å; K79-C109 WeakPolarHBondContact CD-O 3.43Å; K79-C109 HydrophobicContact CG-CB 4.37Å; K79-C109 PolarHBondContact NZ-O 2.9Å; T105-C109 HydrophobicContact CG2-CB 3.98Å; C106-C109 PolarHBondContact O-N 2.79Å; C106-C109 VanDerWaalsContact O-N 3.11Å; C106-C109 VanDerWaalsContact SG-SG 3.67Å; S107-C109 PolarHBondContact O-N 2.76Å
110	S	86.1	Confident	84.4	Confident	12 Å²	12	58 Å²	58	8%	0.084	31%	0.305	C	S	.	.	S	Bend	trans	-88.5	138.3	177.6	-172.8	0	0	0	0	110.4	C106 S107 D112 G113 K114 Q116	C106-S110 PolarHBondContact O-N 3.48Å; C106-S110 VanDerWaalsContact O-N 3.08Å; S107-S110 WeakPolarHBondContact O-CB 3.34Å; S107-S110 PolarHBondContact O-N 2.97Å; S107-S110 VanDerWaalsContact O-N 3.11Å; S110-D112 PolarHBondContact O-N 3.15Å; S110-G113 PolarHBondContact O-N 2.94Å; S110-K114 WeakPolarHBondContact CB-O 3.26Å; S110-K114 PolarHBondContact OG-O 2.82Å; S110-Q116 PolarHBondContact OG-NE2 3.38Å
111	A	77.6	Confident	84.5	Confident	98 Å²	98	66.1 Å²	66.1	81%	0.81	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.4	177.9	0	0	0	0	0	112
112	D	81.2	Confident	84.5	Confident	110 Å²	110	66 Å²	66	59%	0.588	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	3.5	-175.8	-42.7	-70.7	0	0	0	113.2	S110 K114 Q116	S110-D112 PolarHBondContact O-N 3.15Å; D112-K114 PolarHBondContact O-N 2.94Å; D112-Q116 PolarHBondContact OD2-NE2 2.92Å
113	G	77.1	Confident	84.7	Confident	39 Å²	39	68.8 Å²	68.8	40%	0.402	36%	0.357	S	S	.	.	S	Bend	trans	65.7	3.4	-173.9	0	0	0	0	0	115.6	R90 S110	R90-G113 PolarHBondContact NH2-O 2.86Å; S110-G113 PolarHBondContact O-N 2.94Å
114	K	81.1	Confident	85	Confident	146 Å²	146	66.8 Å²	66.8	64%	0.635	35%	0.349	S	S	*	.	S	Bend	trans	-103.3	139.1	178.8	-65.2	177.2	-177.9	180	0	110.4	S110 D112 Q116	S110-K114 WeakPolarHBondContact CB-O 3.26Å; S110-K114 PolarHBondContact OG-O 2.82Å; D112-K114 PolarHBondContact O-N 2.94Å; K114-Q116 PolarHBondContact O-N 3.12Å
115	E	85.3	Confident	85.2	Confident	35 Å²	35	70 Å²	70	16%	0.164	37%	0.365	C	S	.	.			trans	-54.7	137.5	169.4	-73	111.7	-85.8	0	0	111	R90 F104 T105	R90-E115 IonicContact CZ-OE1 3.14Å; R90-E115 PolarHBondContact N-OE2 3.34Å; R90-E115 IonicContact NE-OE1 2.77Å; R90-E115 PolarHBondContact NE-OE1 3.45Å; R90-E115 IonicContact NH2-OE1 2.67Å; R90-E115 PolarHBondContact NH2-OE1 3.06Å; F104-E115 HydrophobicContact CE2-CB 3.93Å; F104-E115 HydrophobicContact CE2-CG 3.82Å; F104-E115 HydrophobicContact CZ-CB 4.44Å; F104-E115 HydrophobicContact CZ-CG 3.86Å; T105-E115 WeakPolarHBondContact O-CA 3.33Å
116	Q	82.4	Confident	85.4	Confident	87 Å²	87	71.6 Å²	71.6	41%	0.407	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.9	175.6	-65.5	-177.5	-5	0	0	109.2	T105 S110 D112 K114	T105-Q116 PolarHBondContact N-O 2.81Å; T105-Q116 PolarHBondContact O-N 2.86Å; S110-Q116 PolarHBondContact OG-NE2 3.38Å; D112-Q116 PolarHBondContact OD2-NE2 2.92Å; K114-Q116 PolarHBondContact O-N 3.12Å
117	Y	85.3	Confident	85.5	Confident	104 Å²	104	71.4 Å²	71.4	41%	0.408	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143	-177.4	56.4	-83.8	0	0	0	112.9	E91 L93 F102 R103	E91-Y117 PolarHBondContact OE1-OH 2.96Å; E91-Y117 PolarHBondContact OE2-OH 3.45Å; L93-Y117 HydrophobicContact CD2-CD1 3.44Å; L93-Y117 VanDerWaalsContact CD2-CD1 3.44Å; L93-Y117 HydrophobicContact CD2-CD2 3.61Å; L93-Y117 HydrophobicContact CD2-CE1 3.76Å; L93-Y117 HydrophobicContact CD2-CE2 3.89Å; L93-Y117 HydrophobicContact CD2-CG 3.36Å; F102-Y117 HydrophobicContact CD1-CD2 4.47Å; R103-Y117 CarbonylContact O-C 3.41Å; R103-Y117 VanDerWaalsContact O-CA 3.26Å; R103-Y117 WeakPolarHBondContact O-CA 3.45Å
118	E	83.8	Confident	85.9	Confident	107 Å²	107	69.8 Å²	69.8	50%	0.5	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.8	174.7	-174.3	-161.2	-171.7	0	0	109.2	F102 R103 L120	F102-E118 CarbonylContact C-O 3.53Å; F102-E118 WeakPolarHBondContact CA-O 3.41Å; R103-E118 HydrophobicContact CB-CB 4.08Å; R103-E118 PolarHBondContact N-O 3.31Å; R103-E118 IonicContact NE-OE2 2.67Å; R103-E118 PolarHBondContact NE-OE2 3.02Å; R103-E118 VanDerWaalsContact NE-OE2 3.15Å; R103-E118 PolarHBondContact O-N 3.46Å; E118-L120 PolarHBondContact O-N 2.85Å
119	R	84.6	Confident	86.2	Confident	65 Å²	65	63.8 Å²	63.8	25%	0.245	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.4	178.2	178.9	62.4	167.6	179.1	0.7	110.9	D99 F102 F162	D99-R119 IonicContact OD1-CZ 3.05Å; D99-R119 IonicContact OD1-NH1 3.69Å; D99-R119 PolarHBondContact OD1-NH1 3.05Å; D99-R119 IonicContact OD1-NH2 3.28Å; D99-R119 IonicContact OD2-CZ 3.15Å; D99-R119 VanDerWaalsContact OD2-CZ 3.23Å; D99-R119 IonicContact OD2-NH1 3.23Å; D99-R119 PolarHBondContact OD2-NH1 2.85Å; D99-R119 IonicContact OD2-NH2 2.82Å; D99-R119 PolarHBondContact OD2-NH2 2.86Å; F102-R119 HydrophobicContact CD1-CB 4.42Å; F102-R119 HydrophobicContact CE1-CB 4.34Å; R119-F162 PolarHBondContact NE-O 2.92Å; R119-F162 PolarHBondContact NH2-O 2.9Å
120	L	86.1	Confident	86.4	Confident	42 Å²	42	62.1 Å²	62.1	22%	0.22	31%	0.314	C	S	.	.			trans	-76.9	150.4	179.9	-62.2	174	0	0	0	111.9	F101 R103 E118 L122 M212	F101-L120 HydrophobicContact CB-CB 4.46Å; F101-L120 WeakPolarHBondContact O-CB 3.3Å; F101-L120 PolarHBondContact O-N 2.94Å; R103-L120 HydrophobicContact CB-CD2 4.25Å; E118-L120 PolarHBondContact O-N 2.85Å; L120-L122 PolarHBondContact O-N 2.97Å; L120-L122 VanDerWaalsContact O-N 3.14Å; L120-M212 HydrophobicContact CD1-CE 3.33Å; L120-M212 HydrophobicContact CD1-SD 3.75Å
121	K	86.3	Confident	86.7	Confident	186 Å²	186	61.5 Å²	61.5	81%	0.809	31%	0.31	S	S	*	.			trans	-80	96.3	-176.7	-71.6	166.8	-177.4	157.2	0	110.9
122	L	88.8	Confident	87.4	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	27%	0.272	C	S	.	.			trans	-56	145.2	178.3	-61.5	-175.9	0	0	0	113.7	F101 L120 Q126 V127 L130 L163 R167	F101-L122 HydrophobicContact CB-CD2 3.46Å; F101-L122 VanDerWaalsContact CB-CD2 3.46Å; F101-L122 HydrophobicContact CD1-CD2 3.79Å; F101-L122 HydrophobicContact CD2-CD2 3.73Å; F101-L122 HydrophobicContact CG-CD2 3.33Å; L120-L122 PolarHBondContact O-N 2.97Å; L120-L122 VanDerWaalsContact O-N 3.14Å; L122-Q126 HydrophobicContact CB-CB 4.44Å; L122-Q126 HydrophobicContact CD2-CB 4.08Å; L122-V127 HydrophobicContact CB-CG2 3.7Å; L122-V127 HydrophobicContact CD1-CG2 3.78Å; L122-V127 HydrophobicContact CG-CG2 4.41Å; L122-L130 HydrophobicContact CD1-CD1 3.88Å; L122-L163 HydrophobicContact CD1-CD2 3.74Å; L122-R167 PolarHBondContact O-NH1 3.33Å; L122-R167 PolarHBondContact O-NH2 2.97Å
123	T	90.9	Very high	87.8	Confident	71 Å²	71	52.3 Å²	52.3	44%	0.436	25%	0.246	S	C	.	.			trans	-78.7	158.8	162.3	64.2	0	0	0	0	110.7	Q125 Q126 V127	T123-Q125 PolarHBondContact O-N 3.24Å; T123-Q126 PolarHBondContact O-N 3.02Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.32Å; T123-Q126 PolarHBondContact OG1-N 3.06Å; T123-Q126 PolarHBondContact OG1-OE1 3.46Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.18Å
124	W	90.9	Very high	88.4	Confident	65 Å²	65	51.1 Å²	51.1	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-32.9	175.6	-78.2	107.4	0	0	0	113	V127 V128 I156 W160 L164 W173 T176 V177	W124-V127 HydrophobicContact CE3-CG1 4.42Å; W124-V127 PolarHBondContact O-N 3.28Å; W124-V128 WeakPolarHBondContact O-CG2 3.49Å; W124-V128 PolarHBondContact O-N 3.45Å; W124-I156 HydrophobicContact CZ3-CG2 4.35Å; W124-W160 AromaticContact CH2-CH2 3.87Å; W124-W160 HydrophobicContact CH2-CH2 3.87Å; W124-W160 AromaticContact CH2-CZ3 3.92Å; W124-W160 HydrophobicContact CH2-CZ3 3.92Å; W124-W160 HydrophobicContact CZ2-CH2 4.44Å; W124-L164 HydrophobicContact CH2-CD1 3.66Å; W124-L164 HydrophobicContact CZ2-CD1 4.33Å; W124-L164 HydrophobicContact CZ3-CD1 3.95Å; W124-W173 HydrophobicContact CH2-CB 4.15Å; W124-W173 HydrophobicContact CH2-CE3 4.42Å; W124-W173 HydrophobicContact CZ2-CB 4.47Å; W124-W173 HydrophobicContact CZ3-CE3 4.49Å; W124-T176 HydrophobicContact CB-CG2 4.43Å; W124-T176 HydrophobicContact CD2-CG2 3.95Å; W124-T176 HydrophobicContact CG-CG2 3.75Å; W124-V177 HydrophobicContact CE3-CG2 4.12Å; W124-V177 HydrophobicContact CZ3-CG2 3.94Å
125	Q	91	Very high	88.8	Confident	69 Å²	69	44.6 Å²	44.6	32%	0.322	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-47.2	175.2	-174.8	-176.3	-12.6	0	0	112	T123 V127 V128 M129 C180 Y188	T123-Q125 PolarHBondContact O-N 3.24Å; Q125-V127 VanDerWaalsContact C-N 3.33Å; Q125-V127 PolarHBondContact O-N 3.32Å; Q125-V128 PolarHBondContact O-N 2.99Å; Q125-M129 HydrophobicContact CG-SD 4.1Å; Q125-M129 WeakPolarHBondContact O-CB 3.38Å; Q125-M129 VanDerWaalsContact O-CG 3.31Å; Q125-M129 WeakPolarHBondContact O-CG 3.45Å; Q125-M129 PolarHBondContact O-N 3.27Å; Q125-C180 WeakPolarHBondContact CA-SG 3.35Å; Q125-Y188 VanDerWaalsContact NE2-CD2 3.29Å
126	Q	90.7	Very high	88.9	Confident	47 Å²	47	44.5 Å²	44.5	22%	0.22	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-40.3	175.9	-71.8	152.7	-30.1	0	0	111.7	F101 L122 T123 M129 L130 P210	F101-Q126 HydrophobicContact CE1-CG 4.18Å; F101-Q126 HydrophobicContact CZ-CG 4.04Å; L122-Q126 HydrophobicContact CB-CB 4.44Å; L122-Q126 HydrophobicContact CD2-CB 4.08Å; T123-Q126 PolarHBondContact O-N 3.02Å; T123-Q126 WeakPolarHBondContact OG1-CG 3.32Å; T123-Q126 PolarHBondContact OG1-N 3.06Å; T123-Q126 PolarHBondContact OG1-OE1 3.46Å; Q126-M129 PolarHBondContact O-N 3.19Å; Q126-L130 WeakPolarHBondContact O-CB 3.28Å; Q126-L130 WeakPolarHBondContact O-CG 3.23Å; Q126-L130 PolarHBondContact O-N 2.86Å; Q126-P210 HydrophobicContact CG-CB 4.37Å
127	V	91.9	Very high	89	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-46.6	175.9	170.3	0	0	0	0	111.7	L122 T123 W124 Q125 A131 I156 L163 L164	L122-V127 HydrophobicContact CB-CG2 3.7Å; L122-V127 HydrophobicContact CD1-CG2 3.78Å; L122-V127 HydrophobicContact CG-CG2 4.41Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 3.18Å; W124-V127 HydrophobicContact CE3-CG1 4.42Å; W124-V127 PolarHBondContact O-N 3.28Å; Q125-V127 VanDerWaalsContact C-N 3.33Å; Q125-V127 PolarHBondContact O-N 3.32Å; V127-A131 WeakPolarHBondContact O-CB 3.37Å; V127-A131 PolarHBondContact O-N 2.88Å; V127-I156 HydrophobicContact CG1-CD1 3.95Å; V127-I156 HydrophobicContact CG1-CG1 3.88Å; V127-I156 HydrophobicContact CG1-CG2 3.99Å; V127-L163 HydrophobicContact CG1-CD1 4.33Å; V127-L163 HydrophobicContact CG2-CB 4.39Å; V127-L164 HydrophobicContact CG2-CD2 3.96Å; V127-L164 HydrophobicContact CG2-CG 4.36Å
128	V	92.8	Very high	88.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.2	-40.7	179	175.1	0	0	0	0	111.4	W124 Q125 A131 M132 I152 I156 V177 L181 F189	W124-V128 WeakPolarHBondContact O-CG2 3.49Å; W124-V128 PolarHBondContact O-N 3.45Å; Q125-V128 PolarHBondContact O-N 2.99Å; V128-A131 PolarHBondContact O-N 2.77Å; V128-M132 HydrophobicContact CG1-CG 4.39Å; V128-M132 HydrophobicContact CG1-SD 3.92Å; V128-M132 WeakPolarHBondContact O-CG 3.32Å; V128-M132 PolarHBondContact O-N 2.89Å; V128-I152 HydrophobicContact CG1-CG2 4.31Å; V128-I156 HydrophobicContact CG2-CD1 4.06Å; V128-V177 HydrophobicContact CG2-CG1 3.96Å; V128-V177 HydrophobicContact CG2-CG2 4.36Å; V128-L181 HydrophobicContact CG1-CD2 3.64Å; V128-L181 HydrophobicContact CG1-CG 4.12Å; V128-F189 HydrophobicContact CB-CE1 4.47Å; V128-F189 HydrophobicContact CB-CZ 4.07Å; V128-F189 HydrophobicContact CG1-CD1 4.5Å; V128-F189 HydrophobicContact CG1-CE1 3.7Å; V128-F189 HydrophobicContact CG1-CE2 4.38Å; V128-F189 HydrophobicContact CG1-CZ 3.63Å
129	M	90.8	Very high	88.2	Confident	19 Å²	19	41.6 Å²	41.6	9%	0.094	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175.5	-72.7	179.5	69.7	0	0	112.4	Q125 Q126 Y133 Y188 F189 L204 P210	Q125-M129 HydrophobicContact CG-SD 4.1Å; Q125-M129 WeakPolarHBondContact O-CB 3.38Å; Q125-M129 VanDerWaalsContact O-CG 3.31Å; Q125-M129 WeakPolarHBondContact O-CG 3.45Å; Q125-M129 PolarHBondContact O-N 3.27Å; Q126-M129 PolarHBondContact O-N 3.19Å; M129-Y133 VanDerWaalsContact O-CB 3.23Å; M129-Y133 WeakPolarHBondContact O-CB 3.36Å; M129-Y133 PolarHBondContact O-N 3.37Å; M129-Y188 HydrophobicContact CE-CD1 3.79Å; M129-Y188 HydrophobicContact CE-CE1 4.41Å; M129-Y188 HydrophobicContact SD-CD1 3.74Å; M129-Y188 HydrophobicContact SD-CE1 4.34Å; M129-Y188 HydrophobicContact SD-CG 4.22Å; M129-F189 HydrophobicContact CG-CE1 3.72Å; M129-F189 HydrophobicContact CG-CZ 3.75Å; M129-L204 HydrophobicContact CG-CD2 4.26Å; M129-P210 HydrophobicContact CB-CB 4.35Å; M129-P210 HydrophobicContact CB-CG 3.91Å; M129-P210 HydrophobicContact CE-CB 3.96Å; M129-P210 HydrophobicContact SD-CB 4.16Å
130	L	90.8	Very high	87.4	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-40.6	176.1	-74.7	171.4	0	0	0	112	D99 F101 L122 Q126 Y133 N134 L163 P210	D99-L130 HydrophobicContact CB-CD1 4.09Å; D99-L130 HydrophobicContact CB-CD2 3.88Å; F101-L130 HydrophobicContact CD2-CD1 4.25Å; F101-L130 HydrophobicContact CE2-CD1 4.48Å; L122-L130 HydrophobicContact CD1-CD1 3.88Å; Q126-L130 WeakPolarHBondContact O-CB 3.28Å; Q126-L130 WeakPolarHBondContact O-CG 3.23Å; Q126-L130 PolarHBondContact O-N 2.86Å; L130-Y133 PolarHBondContact O-N 3.12Å; L130-N134 PolarHBondContact O-N 3.32Å; L130-N134 PolarHBondContact O-ND2 3.39Å; L130-L163 HydrophobicContact CB-CD2 4.47Å; L130-L163 HydrophobicContact CD1-CD2 4.14Å; L130-P210 HydrophobicContact CD2-CG 3.94Å; L130-P210 HydrophobicContact CG-CG 3.8Å
131	A	92.3	Very high	86.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-51.5	176	0	0	0	0	0	111.7	V127 V128 Y133 N134 L135 I152 F155 I156	V127-A131 WeakPolarHBondContact O-CB 3.37Å; V127-A131 PolarHBondContact O-N 2.88Å; V128-A131 PolarHBondContact O-N 2.77Å; A131-Y133 VanDerWaalsContact C-N 3.3Å; A131-Y133 PolarHBondContact O-N 3.36Å; A131-N134 PolarHBondContact O-N 3.07Å; A131-L135 WeakPolarHBondContact O-CB 3.41Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.35Å; A131-L135 PolarHBondContact O-N 3.14Å; A131-I152 HydrophobicContact CB-CG2 4.43Å; A131-F155 HydrophobicContact CB-CB 4.48Å; A131-F155 HydrophobicContact CB-CD1 3.56Å; A131-F155 HydrophobicContact CB-CE1 4.16Å; A131-F155 HydrophobicContact CB-CG 4.24Å; A131-I156 HydrophobicContact CB-CD1 4.24Å; A131-I156 HydrophobicContact CB-CG1 3.83Å
132	M	90.9	Very high	86.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-29.8	179.1	-65.7	179	76.9	0	0	113.3	V128 S136 I152 L181 F189 W202 K203 L204	V128-M132 HydrophobicContact CG1-CG 4.39Å; V128-M132 HydrophobicContact CG1-SD 3.92Å; V128-M132 WeakPolarHBondContact O-CG 3.32Å; V128-M132 PolarHBondContact O-N 2.89Å; M132-S136 PolarHBondContact O-N 2.94Å; M132-S136 VanDerWaalsContact O-N 3.08Å; M132-I152 HydrophobicContact CE-CD1 3.9Å; M132-I152 HydrophobicContact CG-CD1 3.68Å; M132-I152 HydrophobicContact CG-CG1 4.07Å; M132-I152 HydrophobicContact CG-CG2 4.2Å; M132-I152 HydrophobicContact SD-CD1 3.75Å; M132-L181 HydrophobicContact SD-CD2 3.74Å; M132-F189 HydrophobicContact CE-CD1 4.32Å; M132-F189 HydrophobicContact SD-CD1 3.52Å; M132-F189 VanDerWaalsContact SD-CD1 3.52Å; M132-F189 HydrophobicContact SD-CE1 3.74Å; M132-W202 HydrophobicContact CE-CB 3.88Å; M132-W202 WeakPolarHBondContact CE-O 3.38Å; M132-K203 VanDerWaalsContact CE-C 3.42Å; M132-L204 HydrophobicContact CB-CD1 3.83Å; M132-L204 HydrophobicContact CB-CD2 4.38Å; M132-L204 HydrophobicContact CB-CG 3.74Å; M132-L204 HydrophobicContact CE-CG 4.48Å
133	Y	90.3	Very high	86	Confident	15 Å²	15	45.5 Å²	45.5	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-70.2	-43.4	174.7	-179.9	-108.7	0	0	0	111.5	K97 M129 L130 A131 S136 L137 N207 P209	K97-Y133 HydrophobicContact CB-CE1 4.17Å; M129-Y133 VanDerWaalsContact O-CB 3.23Å; M129-Y133 WeakPolarHBondContact O-CB 3.36Å; M129-Y133 PolarHBondContact O-N 3.37Å; L130-Y133 PolarHBondContact O-N 3.12Å; A131-Y133 VanDerWaalsContact C-N 3.3Å; A131-Y133 PolarHBondContact O-N 3.36Å; Y133-S136 PolarHBondContact O-N 2.79Å; Y133-S136 PolarHBondContact O-OG 2.88Å; Y133-L137 HydrophobicContact CD1-CD1 4.31Å; Y133-L137 HydrophobicContact CE1-CD1 3.8Å; Y133-L137 WeakPolarHBondContact O-CG 3.39Å; Y133-L137 PolarHBondContact O-N 3.25Å; Y133-N207 WeakPolarHBondContact CD2-OD1 3.45Å; Y133-P209 HydrophobicContact CD1-CB 3.91Å; Y133-P209 HydrophobicContact CE1-CB 3.94Å; Y133-P209 HydrophobicContact CE1-CG 4.13Å; Y133-P209 HydrophobicContact CG-CB 4.25Å
134	N	89.3	Confident	85.5	Confident	14 Å²	14	43.2 Å²	43.2	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-71	-37.3	177.7	-74.9	-102.9	0	0	0	111.3	K97 L130 A131 S136 L137 E138 F155	K97-N134 PolarHBondContact N-OD1 3.49Å; K97-N134 PolarHBondContact O-ND2 3.39Å; L130-N134 PolarHBondContact O-N 3.32Å; L130-N134 PolarHBondContact O-ND2 3.39Å; A131-N134 PolarHBondContact O-N 3.07Å; N134-S136 VanDerWaalsContact C-N 3.27Å; N134-S136 PolarHBondContact O-N 3.37Å; N134-L137 PolarHBondContact O-N 2.89Å; N134-L137 VanDerWaalsContact O-N 3.13Å; N134-E138 WeakPolarHBondContact O-CG 3.04Å; N134-E138 PolarHBondContact O-N 3.16Å; N134-F155 HydrophobicContact CB-CE1 4.37Å; N134-F155 HydrophobicContact CB-CE2 3.97Å; N134-F155 HydrophobicContact CB-CZ 3.54Å
135	L	89.6	Confident	85.5	Confident	9 Å²	9	40.4 Å²	40.4	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-31	170.9	-72.9	168.9	0	0	0	113.2	A131 E138 G139 S140 F146 D151 I152 F155	A131-L135 WeakPolarHBondContact O-CB 3.41Å; A131-L135 VanDerWaalsContact O-CG 3.3Å; A131-L135 WeakPolarHBondContact O-CG 3.35Å; A131-L135 PolarHBondContact O-N 3.14Å; L135-E138 PolarHBondContact O-N 2.89Å; L135-G139 PolarHBondContact O-N 3.25Å; L135-S140 PolarHBondContact O-N 3.41Å; L135-S140 PolarHBondContact O-OG 2.87Å; L135-F146 HydrophobicContact CB-CD1 3.9Å; L135-F146 HydrophobicContact CB-CE1 3.65Å; L135-F146 HydrophobicContact CB-CE2 4.38Å; L135-F146 HydrophobicContact CB-CG 4.36Å; L135-F146 HydrophobicContact CB-CZ 3.94Å; L135-F146 HydrophobicContact CD1-CD1 4.34Å; L135-F146 HydrophobicContact CD1-CG 4.4Å; L135-F146 WeakPolarHBondContact O-CE1 3.3Å; L135-F146 WeakPolarHBondContact O-CZ 3.41Å; L135-D151 HydrophobicContact CD1-CB 4.42Å; L135-I152 HydrophobicContact CD1-CG1 4.23Å; L135-F155 HydrophobicContact CD1-CB 4.16Å; L135-F155 HydrophobicContact CD1-CG 4.48Å; L135-F155 HydrophobicContact CD2-CB 4.4Å; L135-F155 HydrophobicContact CD2-CD2 3.8Å; L135-F155 HydrophobicContact CD2-CG 4.44Å; L135-F155 HydrophobicContact CG-CB 4.35Å; L135-F155 HydrophobicContact CG-CD2 3.85Å; L135-F155 HydrophobicContact CG-CG 4.23Å
136	S	88	Confident	85.5	Confident	33 Å²	33	37.3 Å²	37.3	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-73.2	-28.9	174.6	79.6	0	0	0	0	113.3	M132 Y133 N134 G139 N207	M132-S136 PolarHBondContact O-N 2.94Å; M132-S136 VanDerWaalsContact O-N 3.08Å; Y133-S136 PolarHBondContact O-N 2.79Å; Y133-S136 PolarHBondContact O-OG 2.88Å; N134-S136 VanDerWaalsContact C-N 3.27Å; N134-S136 PolarHBondContact O-N 3.37Å; S136-G139 PolarHBondContact O-N 3.16Å; S136-N207 VanDerWaalsContact OG-CG 3.26Å; S136-N207 PolarHBondContact OG-ND2 3.24Å; S136-N207 PolarHBondContact OG-OD1 3.42Å
137	L	83.5	Confident	85.6	Confident	69 Å²	69	39.3 Å²	39.3	36%	0.361	22%	0.215	S	C	.	.	H	α-helix	trans	-77.3	-28.2	172	-59.7	175.5	0	0	0	112.5	M69 K97 Y133 N134 G139	M69-L137 HydrophobicContact SD-CD2 3.56Å; M69-L137 VanDerWaalsContact SD-CD2 3.56Å; K97-L137 HydrophobicContact CB-CD1 3.6Å; K97-L137 HydrophobicContact CG-CD1 3.9Å; Y133-L137 HydrophobicContact CD1-CD1 4.31Å; Y133-L137 HydrophobicContact CE1-CD1 3.8Å; Y133-L137 WeakPolarHBondContact O-CG 3.39Å; Y133-L137 PolarHBondContact O-N 3.25Å; N134-L137 PolarHBondContact O-N 2.89Å; N134-L137 VanDerWaalsContact O-N 3.13Å; L137-G139 PolarHBondContact O-N 3.04Å
138	E	82.8	Confident	85.6	Confident	104 Å²	104	42.6 Å²	42.6	49%	0.486	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.5	171.1	-71.2	179.4	-175.6	0	0	113.1	N134 L135 S140	N134-E138 WeakPolarHBondContact O-CG 3.04Å; N134-E138 PolarHBondContact O-N 3.16Å; L135-E138 PolarHBondContact O-N 2.89Å; E138-S140 WeakPolarHBondContact CB-OG 3.22Å; E138-S140 PolarHBondContact O-N 3.38Å; E138-S140 VanDerWaalsContact O-N 3.09Å
139	G	71.2	Confident	85.4	Confident	63 Å²	63	47.6 Å²	47.6	65%	0.649	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	6.4	-177.7	0	0	0	0	0	114.8	L135 S136 L137 G141	L135-G139 PolarHBondContact O-N 3.25Å; S136-G139 PolarHBondContact O-N 3.16Å; L137-G139 PolarHBondContact O-N 3.04Å; G139-G141 VanDerWaalsContact C-N 3.3Å; G139-G141 PolarHBondContact O-N 2.91Å
140	S	67.5	Low	85.4	Confident	54 Å²	54	50.7 Å²	50.7	38%	0.378	26%	0.263	S	S	.	.			trans	-86.9	46.8	-160.1	51.7	0	0	0	0	114.1	L135 E138 F146	L135-S140 PolarHBondContact O-N 3.41Å; L135-S140 PolarHBondContact O-OG 2.87Å; E138-S140 WeakPolarHBondContact CB-OG 3.22Å; E138-S140 PolarHBondContact O-N 3.38Å; E138-S140 VanDerWaalsContact O-N 3.09Å; S140-F146 WeakPolarHBondContact O-CD1 3.46Å; S140-F146 WeakPolarHBondContact O-CE1 3.24Å
141	G	73.6	Confident	85.4	Confident	25 Å²	25	52.9 Å²	52.9	26%	0.258	28%	0.275	S	S	.	.	S	Bend	trans	-153.9	146.4	-175.3	0	0	0	0	0	115.7	G139 Q143 G144 Y145	G139-G141 VanDerWaalsContact C-N 3.3Å; G139-G141 PolarHBondContact O-N 2.91Å; G141-Q143 PolarHBondContact O-N 3.36Å; G141-Q143 VanDerWaalsContact O-N 3.07Å; G141-G144 PolarHBondContact O-N 2.98Å; G141-G144 VanDerWaalsContact O-N 3.09Å; G141-Y145 CarbonylContact C-O 3.46Å; G141-Y145 VanDerWaalsContact CA-O 3.26Å; G141-Y145 WeakPolarHBondContact CA-O 3.41Å
142	R	79.2	Confident	85.4	Confident	151 Å²	151	52.9 Å²	52.9	57%	0.57	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-69.3	106.3	-177.8	-159.8	177.4	-165.8	-173.6	3.7	109.5	G144 Y145 F196 W201	R142-G144 PolarHBondContact O-N 3.43Å; R142-Y145 PolarHBondContact N-O 3.29Å; R142-Y145 WeakPolarHBondContact O-CB 3.27Å; R142-Y145 PolarHBondContact O-N 3.36Å; R142-F196 HydrophobicContact CB-CZ 4.44Å; R142-F196 HydrophobicContact CG-CE1 4.03Å; R142-F196 HydrophobicContact CG-CZ 4.32Å; R142-W201 HydrophobicContact CB-CE3 4.48Å; R142-W201 HydrophobicContact CB-CH2 4.15Å; R142-W201 HydrophobicContact CB-CZ3 3.84Å
143	Q	77.4	Confident	85.5	Confident	147 Å²	147	52.9 Å²	52.9	69%	0.687	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	30.2	-169.2	-58.7	176.2	-10.2	0	0	113	G141 Y145 K203	G141-Q143 PolarHBondContact O-N 3.36Å; G141-Q143 VanDerWaalsContact O-N 3.07Å; Q143-Y145 VanDerWaalsContact C-N 3.33Å; Q143-K203 PolarHBondContact O-NZ 2.89Å
144	G	81.9	Confident	85.6	Confident	23 Å²	23	54.3 Å²	54.3	24%	0.237	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	16.7	-174.5	0	0	0	0	0	115.1	G141 R142 F146 K203	G141-G144 PolarHBondContact O-N 2.98Å; G141-G144 VanDerWaalsContact O-N 3.09Å; R142-G144 PolarHBondContact O-N 3.43Å; G144-F146 WeakPolarHBondContact O-CE2 3.37Å; G144-K203 WeakPolarHBondContact O-CD 3.33Å; G144-K203 WeakPolarHBondContact O-CG 3.38Å
145	Y	89.3	Confident	85.8	Confident	6 Å²	6	54.1 Å²	54.1	2%	0.024	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-94.4	142.2	162.9	-73.1	-95	0	0	0	111.1	G141 R142 Q143 R190 G192 E195 F196 W201 W202 K203	G141-Y145 CarbonylContact C-O 3.46Å; G141-Y145 VanDerWaalsContact CA-O 3.26Å; G141-Y145 WeakPolarHBondContact CA-O 3.41Å; R142-Y145 PolarHBondContact N-O 3.29Å; R142-Y145 WeakPolarHBondContact O-CB 3.27Å; R142-Y145 PolarHBondContact O-N 3.36Å; Q143-Y145 VanDerWaalsContact C-N 3.33Å; Y145-R190 HydrophobicContact CE1-CG 4.46Å; Y145-R190 WeakPolarHBondContact OH-CD 3.49Å; Y145-G192 VanDerWaalsContact CE1-CA 3.49Å; Y145-E195 WeakPolarHBondContact CE2-OE2 3.4Å; Y145-E195 PolarHBondContact OH-OE1 2.9Å; Y145-E195 PolarHBondContact OH-OE2 3Å; Y145-F196 HydrophobicContact CD1-CE2 4.39Å; Y145-F196 AromaticContact CD2-CE2 3.64Å; Y145-F196 HydrophobicContact CD2-CE2 3.64Å; Y145-F196 AromaticContact CD2-CZ 3.99Å; Y145-F196 HydrophobicContact CD2-CZ 3.99Å; Y145-F196 HydrophobicContact CE2-CE2 4.24Å; Y145-F196 AromaticContact CG-CE2 3.72Å; Y145-F196 HydrophobicContact CG-CE2 3.72Å; Y145-F196 HydrophobicContact CG-CZ 4.41Å; Y145-W201 HydrophobicContact CD1-CB 4.4Å; Y145-W202 WeakPolarHBondContact CA-O 3.36Å; Y145-W202 VanDerWaalsContact CD1-C 3.49Å; Y145-K203 HydrophobicContact CD1-CB 3.41Å; Y145-K203 VanDerWaalsContact CD1-CB 3.41Å; Y145-K203 HydrophobicContact CD2-CB 4.21Å; Y145-K203 HydrophobicContact CD2-CD 3.86Å; Y145-K203 HydrophobicContact CE1-CB 3.41Å; Y145-K203 VanDerWaalsContact CE1-CB 3.41Å; Y145-K203 HydrophobicContact CE1-CD 4.4Å; Y145-K203 HydrophobicContact CE2-CB 4.25Å; Y145-K203 HydrophobicContact CE2-CD 3.73Å; Y145-K203 HydrophobicContact CG-CB 3.81Å; Y145-K203 HydrophobicContact CG-CD 4.29Å
146	F	92.5	Very high	85.9	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.3	-177.8	-50.6	-81	0	0	0	109.9	L135 S140 G144 D151 I152 W201 W202	L135-F146 HydrophobicContact CB-CD1 3.9Å; L135-F146 HydrophobicContact CB-CE1 3.65Å; L135-F146 HydrophobicContact CB-CE2 4.38Å; L135-F146 HydrophobicContact CB-CG 4.36Å; L135-F146 HydrophobicContact CB-CZ 3.94Å; L135-F146 HydrophobicContact CD1-CD1 4.34Å; L135-F146 HydrophobicContact CD1-CG 4.4Å; L135-F146 WeakPolarHBondContact O-CE1 3.3Å; L135-F146 WeakPolarHBondContact O-CZ 3.41Å; S140-F146 WeakPolarHBondContact O-CD1 3.46Å; S140-F146 WeakPolarHBondContact O-CE1 3.24Å; G144-F146 WeakPolarHBondContact O-CE2 3.37Å; F146-D151 WeakPolarHBondContact CA-OD2 3.33Å; F146-D151 HydrophobicContact CB-CB 4.1Å; F146-I152 HydrophobicContact CB-CD1 4.23Å; F146-I152 HydrophobicContact CB-CG1 3.9Å; F146-W201 CarbonylContact O-C 3.59Å; F146-W202 PolarHBondContact N-O 2.94Å; F146-W202 PolarHBondContact O-N 2.89Å
147	R	91.4	Very high	86.1	Confident	90 Å²	90	55.5 Å²	55.5	34%	0.34	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.4	173	-60.9	176.7	58.2	123.9	-7.4	109.2	K149 E150 D151 I152 G200 W201	R147-K149 PolarHBondContact O-N 3.45Å; R147-K149 VanDerWaalsContact O-N 3.13Å; R147-E150 HydrophobicContact CB-CB 4.17Å; R147-E150 VanDerWaalsContact CB-OE2 3.31Å; R147-E150 WeakPolarHBondContact CB-OE2 3.38Å; R147-E150 IonicContact CZ-OE1 2.68Å; R147-E150 IonicContact CZ-OE2 3.02Å; R147-E150 IonicContact NE-OE1 3.71Å; R147-E150 IonicContact NE-OE2 2.7Å; R147-E150 PolarHBondContact NE-OE2 3.1Å; R147-E150 IonicContact NH2-OE1 3.54Å; R147-E150 PolarHBondContact NH2-OE1 3.28Å; R147-E150 IonicContact NH2-OE2 2.71Å; R147-E150 PolarHBondContact NH2-OE2 3.16Å; R147-D151 PolarHBondContact N-OD2 3.08Å; R147-D151 WeakPolarHBondContact O-CB 3.28Å; R147-D151 PolarHBondContact O-N 3.01Å; R147-I152 PolarHBondContact O-N 2.87Å; R147-I152 VanDerWaalsContact O-N 3.16Å; R147-G200 WeakPolarHBondContact CA-O 3.31Å; R147-W201 HydrophobicContact CG-CD2 4.04Å; R147-W201 HydrophobicContact CG-CE3 3.81Å; R147-W201 HydrophobicContact CG-CH2 3.65Å; R147-W201 HydrophobicContact CG-CZ2 3.87Å; R147-W201 HydrophobicContact CG-CZ3 3.62Å
148	W	91.7	Very high	86.4	Confident	69 Å²	69	58.8 Å²	58.8	26%	0.261	30%	0.302	S	S	.	.	I	π-helix	trans	-61.1	-29.2	-173.7	74	-81.7	0	0	0	114.2	I152 C153 W174 A178 L181 G200	W148-I152 HydrophobicContact CB-CD1 4.48Å; W148-C153 PolarHBondContact O-N 2.93Å; W148-C153 PolarHBondContact O-SG 3.03Å; W148-W174 HydrophobicContact CZ3-CB 4.34Å; W148-A178 HydrophobicContact CD2-CB 4.39Å; W148-A178 HydrophobicContact CE3-CB 3.95Å; W148-A178 HydrophobicContact CH2-CB 4.22Å; W148-A178 HydrophobicContact CZ3-CB 3.87Å; W148-L181 HydrophobicContact CB-CD1 3.5Å; W148-L181 VanDerWaalsContact CB-CD1 3.5Å; W148-L181 HydrophobicContact CG-CD1 4.49Å; W148-G200 PolarHBondContact N-O 3.03Å
149	K	89.8	Confident	86.7	Confident	105 Å²	105	54.9 Å²	54.9	46%	0.457	28%	0.284	S	S	.	.	I	π-helix	trans	-95.6	-49.8	-175.1	-172.1	-168.2	174.5	-159.2	0	111.1	R147 C153 W174	R147-K149 PolarHBondContact O-N 3.45Å; R147-K149 VanDerWaalsContact O-N 3.13Å; K149-C153 WeakPolarHBondContact O-CB 3.36Å; K149-W174 HydrophobicContact CG-CE3 3.84Å; K149-W174 HydrophobicContact CG-CZ3 3.57Å; K149-W174 WeakPolarHBondContact O-CZ3 3.47Å
150	E	90.4	Very high	87.5	Confident	84 Å²	84	52.7 Å²	52.7	39%	0.393	26%	0.256	S	S	.	.	I	π-helix	trans	-74.6	-34.3	-175.7	-64.7	76.6	-173.3	0	0	112.3	R147 A154	R147-E150 HydrophobicContact CB-CB 4.17Å; R147-E150 VanDerWaalsContact CB-OE2 3.31Å; R147-E150 WeakPolarHBondContact CB-OE2 3.38Å; R147-E150 IonicContact CZ-OE1 2.68Å; R147-E150 IonicContact CZ-OE2 3.02Å; R147-E150 IonicContact NE-OE1 3.71Å; R147-E150 IonicContact NE-OE2 2.7Å; R147-E150 PolarHBondContact NE-OE2 3.1Å; R147-E150 IonicContact NH2-OE1 3.54Å; R147-E150 PolarHBondContact NH2-OE1 3.28Å; R147-E150 IonicContact NH2-OE2 2.71Å; R147-E150 PolarHBondContact NH2-OE2 3.16Å; E150-A154 WeakPolarHBondContact O-CB 3.41Å
151	D	91.3	Very high	88.4	Confident	45 Å²	45	55.6 Å²	55.6	24%	0.241	27%	0.272	C	S	.	.	I	π-helix	trans	-108.7	-61.3	-173.5	-44.1	-28.8	0	0	0	110.8	L135 F146 R147 C153 A154 F155	L135-D151 HydrophobicContact CD1-CB 4.42Å; F146-D151 WeakPolarHBondContact CA-OD2 3.33Å; F146-D151 HydrophobicContact CB-CB 4.1Å; R147-D151 PolarHBondContact N-OD2 3.08Å; R147-D151 WeakPolarHBondContact O-CB 3.28Å; R147-D151 PolarHBondContact O-N 3.01Å; D151-C153 PolarHBondContact O-N 2.91Å; D151-A154 PolarHBondContact O-N 3.43Å; D151-F155 WeakPolarHBondContact O-CB 3.43Å; D151-F155 PolarHBondContact O-N 3.42Å
152	I	92.6	Very high	89	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-65.4	-46.9	-172.8	-53.2	178.7	0	0	0	111.2	V128 A131 M132 L135 F146 R147 W148 I156 V177 L181 W202	V128-I152 HydrophobicContact CG1-CG2 4.31Å; A131-I152 HydrophobicContact CB-CG2 4.43Å; M132-I152 HydrophobicContact CE-CD1 3.9Å; M132-I152 HydrophobicContact CG-CD1 3.68Å; M132-I152 HydrophobicContact CG-CG1 4.07Å; M132-I152 HydrophobicContact CG-CG2 4.2Å; M132-I152 HydrophobicContact SD-CD1 3.75Å; L135-I152 HydrophobicContact CD1-CG1 4.23Å; F146-I152 HydrophobicContact CB-CD1 4.23Å; F146-I152 HydrophobicContact CB-CG1 3.9Å; R147-I152 PolarHBondContact O-N 2.87Å; R147-I152 VanDerWaalsContact O-N 3.16Å; W148-I152 HydrophobicContact CB-CD1 4.48Å; I152-I156 HydrophobicContact CG2-CD1 4.09Å; I152-I156 WeakPolarHBondContact O-CD1 3.4Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.47Å; I152-I156 PolarHBondContact O-N 2.96Å; I152-I156 VanDerWaalsContact O-N 3.16Å; I152-V177 HydrophobicContact CG2-CG1 4.35Å; I152-L181 HydrophobicContact CD1-CD1 4.24Å; I152-L181 HydrophobicContact CD1-CD2 4.31Å; I152-W202 HydrophobicContact CD1-CB 4.19Å
153	C	92.8	Very high	89.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-38.6	175.4	-69.9	0	0	0	0	112.1	W148 K149 D151 F155 I156 E157 W173 W174	W148-C153 PolarHBondContact O-N 2.93Å; W148-C153 PolarHBondContact O-SG 3.03Å; K149-C153 WeakPolarHBondContact O-CB 3.36Å; D151-C153 PolarHBondContact O-N 2.91Å; C153-F155 VanDerWaalsContact C-N 3.34Å; C153-F155 PolarHBondContact O-N 2.87Å; C153-I156 PolarHBondContact O-N 3.14Å; C153-E157 WeakPolarHBondContact O-CB 3.17Å; C153-E157 PolarHBondContact O-N 3.48Å; C153-W173 HydrophobicContact CB-CH2 3.76Å; C153-W173 HydrophobicContact CB-CZ3 3.92Å; C153-W173 WeakPolarHBondContact O-CH2 3.23Å; C153-W174 HydrophobicContact CB-CD2 4.29Å; C153-W174 HydrophobicContact CB-CE3 3.41Å; C153-W174 VanDerWaalsContact CB-CE3 3.41Å; C153-W174 HydrophobicContact CB-CH2 3.93Å; C153-W174 HydrophobicContact CB-CZ3 3.21Å; C153-W174 VanDerWaalsContact SG-CE3 3.58Å
154	A	92.1	Very high	89.5	Confident	46 Å²	46	43 Å²	43	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-39.5	177.6	0	0	0	0	0	112.4	E150 D151 E157 K158	E150-A154 WeakPolarHBondContact O-CB 3.41Å; D151-A154 PolarHBondContact O-N 3.43Å; A154-E157 PolarHBondContact O-N 2.82Å; A154-K158 VanDerWaalsContact O-CB 3.32Å; A154-K158 WeakPolarHBondContact O-CB 3.48Å; A154-K158 PolarHBondContact O-N 3.09Å
155	F	92.6	Very high	89.5	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.039	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-47.1	172.3	-168.9	-79.5	0	0	0	111.5	L96 A131 N134 L135 D151 C153 E157 K158 H159	L96-F155 HydrophobicContact CD2-CE1 4.14Å; L96-F155 HydrophobicContact CD2-CZ 3.77Å; A131-F155 HydrophobicContact CB-CB 4.48Å; A131-F155 HydrophobicContact CB-CD1 3.56Å; A131-F155 HydrophobicContact CB-CE1 4.16Å; A131-F155 HydrophobicContact CB-CG 4.24Å; N134-F155 HydrophobicContact CB-CE1 4.37Å; N134-F155 HydrophobicContact CB-CE2 3.97Å; N134-F155 HydrophobicContact CB-CZ 3.54Å; L135-F155 HydrophobicContact CD1-CB 4.16Å; L135-F155 HydrophobicContact CD1-CG 4.48Å; L135-F155 HydrophobicContact CD2-CB 4.4Å; L135-F155 HydrophobicContact CD2-CD2 3.8Å; L135-F155 HydrophobicContact CD2-CG 4.44Å; L135-F155 HydrophobicContact CG-CB 4.35Å; L135-F155 HydrophobicContact CG-CD2 3.85Å; L135-F155 HydrophobicContact CG-CG 4.23Å; D151-F155 WeakPolarHBondContact O-CB 3.43Å; D151-F155 PolarHBondContact O-N 3.42Å; C153-F155 VanDerWaalsContact C-N 3.34Å; C153-F155 PolarHBondContact O-N 2.87Å; F155-E157 VanDerWaalsContact C-N 3.31Å; F155-E157 PolarHBondContact O-N 2.76Å; F155-K158 PolarHBondContact O-N 3.06Å; F155-H159 AromaticContact CD1-CD2 3.74Å; F155-H159 HydrophobicContact CE1-CB 4.39Å; F155-H159 AromaticContact CE1-CD2 3.52Å; F155-H159 AromaticContact CE2-CD2 3.84Å; F155-H159 AromaticContact CE2-NE2 3.95Å; F155-H159 AromaticContact CG-CD2 3.99Å; F155-H159 AromaticContact CZ-CD2 3.56Å; F155-H159 AromaticContact CZ-NE2 3.92Å; F155-H159 WeakPolarHBondContact O-CB 3.5Å; F155-H159 PolarHBondContact O-CD2 2.75Å; F155-H159 VanDerWaalsContact O-CD2 3.28Å; F155-H159 PolarHBondContact O-N 2.8Å
156	I	92.8	Very high	88.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-33.2	177.4	-65.7	165.6	0	0	0	111.8	W124 V127 V128 A131 I152 C153 W160 L164 W173 V177	W124-I156 HydrophobicContact CZ3-CG2 4.35Å; V127-I156 HydrophobicContact CG1-CD1 3.95Å; V127-I156 HydrophobicContact CG1-CG1 3.88Å; V127-I156 HydrophobicContact CG1-CG2 3.99Å; V128-I156 HydrophobicContact CG2-CD1 4.06Å; A131-I156 HydrophobicContact CB-CD1 4.24Å; A131-I156 HydrophobicContact CB-CG1 3.83Å; I152-I156 HydrophobicContact CG2-CD1 4.09Å; I152-I156 WeakPolarHBondContact O-CD1 3.4Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.47Å; I152-I156 PolarHBondContact O-N 2.96Å; I152-I156 VanDerWaalsContact O-N 3.16Å; C153-I156 PolarHBondContact O-N 3.14Å; I156-W160 HydrophobicContact CG2-CE3 4.25Å; I156-W160 VanDerWaalsContact O-CA 3.25Å; I156-W160 WeakPolarHBondContact O-CA 3.13Å; I156-W160 WeakPolarHBondContact O-CB 3.49Å; I156-W160 PolarHBondContact O-N 3.46Å; I156-L164 HydrophobicContact CG2-CD1 4.4Å; I156-W173 HydrophobicContact CB-CZ3 4.36Å; I156-W173 HydrophobicContact CG2-CZ3 4.05Å; I156-V177 HydrophobicContact CD1-CG1 4.38Å; I156-V177 HydrophobicContact CD1-CG2 3.97Å
157	E	91.4	Very high	88.3	Confident	71 Å²	71	56.2 Å²	56.2	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-67.6	-45.5	175.4	-178.7	108.2	-105.3	0	0	111.5	C153 A154 F155 W160 K169 W173 W174	C153-E157 WeakPolarHBondContact O-CB 3.17Å; C153-E157 PolarHBondContact O-N 3.48Å; A154-E157 PolarHBondContact O-N 2.82Å; F155-E157 VanDerWaalsContact C-N 3.31Å; F155-E157 PolarHBondContact O-N 2.76Å; E157-W160 WeakPolarHBondContact O-CB 3.42Å; E157-K169 PolarHBondContact O-NZ 2.93Å; E157-K169 WeakPolarHBondContact OE1-CE 3.5Å; E157-K169 IonicContact OE1-NZ 2.7Å; E157-K169 PolarHBondContact OE1-NZ 3.02Å; E157-W173 HydrophobicContact CB-CH2 4.21Å; E157-W173 HydrophobicContact CB-CZ2 4.2Å; E157-W174 WeakPolarHBondContact OE2-CZ2 3.3Å
158	K	90.8	Very high	87.8	Confident	139 Å²	139	61.1 Å²	61.1	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-42.9	176.2	179.1	-174.1	171.4	-159.3	0	112	A154 F155	A154-K158 VanDerWaalsContact O-CB 3.32Å; A154-K158 WeakPolarHBondContact O-CB 3.48Å; A154-K158 PolarHBondContact O-N 3.09Å; F155-K158 PolarHBondContact O-N 3.06Å
159	H	89.2	Confident	87.4	Confident	22 Å²	22	62.5 Å²	62.5	10%	0.102	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	14.9	-176.4	-63.7	-70	0	0	0	114.1	Y95 F155 T161 F162 L163	Y95-H159 AromaticContact CE2-CE1 3.7Å; Y95-H159 AromaticContact CE2-ND1 3.35Å; Y95-H159 VanDerWaalsContact CE2-ND1 3.35Å; Y95-H159 WeakPolarHBondContact CE2-ND1 3.34Å; Y95-H159 AromaticContact CZ-ND1 3.58Å; Y95-H159 PolarHBondContact OH-ND1 3.43Å; F155-H159 AromaticContact CD1-CD2 3.74Å; F155-H159 HydrophobicContact CE1-CB 4.39Å; F155-H159 AromaticContact CE1-CD2 3.52Å; F155-H159 AromaticContact CE2-CD2 3.84Å; F155-H159 AromaticContact CE2-NE2 3.95Å; F155-H159 AromaticContact CG-CD2 3.99Å; F155-H159 AromaticContact CZ-CD2 3.56Å; F155-H159 AromaticContact CZ-NE2 3.92Å; F155-H159 WeakPolarHBondContact O-CB 3.5Å; F155-H159 PolarHBondContact O-CD2 2.75Å; F155-H159 VanDerWaalsContact O-CD2 3.28Å; F155-H159 PolarHBondContact O-N 2.8Å; H159-T161 PolarHBondContact O-N 2.79Å; H159-F162 PolarHBondContact O-N 2.85Å; H159-F162 VanDerWaalsContact O-N 3.15Å; H159-L163 HydrophobicContact CB-CD1 3.74Å; H159-L163 HydrophobicContact CB-CG 4.29Å; H159-L163 PolarHBondContact O-N 2.99Å
160	W	88.1	Confident	87	Confident	17 Å²	17	61.2 Å²	61.2	6%	0.064	31%	0.31	C	S	.	.	H	α-helix	trans	-54.8	-47.4	-172.4	-176.1	-80.3	0	0	0	113.9	W124 I156 E157 F162 L164 G165 R167 K169 W173	W124-W160 AromaticContact CH2-CH2 3.87Å; W124-W160 HydrophobicContact CH2-CH2 3.87Å; W124-W160 AromaticContact CH2-CZ3 3.92Å; W124-W160 HydrophobicContact CH2-CZ3 3.92Å; W124-W160 HydrophobicContact CZ2-CH2 4.44Å; I156-W160 HydrophobicContact CG2-CE3 4.25Å; I156-W160 VanDerWaalsContact O-CA 3.25Å; I156-W160 WeakPolarHBondContact O-CA 3.13Å; I156-W160 WeakPolarHBondContact O-CB 3.49Å; I156-W160 PolarHBondContact O-N 3.46Å; E157-W160 WeakPolarHBondContact O-CB 3.42Å; W160-F162 PolarHBondContact O-N 2.8Å; W160-L164 HydrophobicContact CD2-CB 4.44Å; W160-L164 HydrophobicContact CD2-CD1 3.76Å; W160-L164 HydrophobicContact CE3-CD1 3.59Å; W160-L164 HydrophobicContact CH2-CD1 3.7Å; W160-L164 HydrophobicContact CZ2-CD1 3.85Å; W160-L164 HydrophobicContact CZ3-CD1 3.57Å; W160-L164 WeakPolarHBondContact O-CA 3.46Å; W160-L164 WeakPolarHBondContact O-CB 3.41Å; W160-L164 PolarHBondContact O-N 3.2Å; W160-G165 PolarHBondContact O-N 2.92Å; W160-R167 HydrophobicContact CZ2-CB 4.5Å; W160-R167 PolarHBondContact NE1-O 2.98Å; W160-K169 HydrophobicContact CD2-CD 4.18Å; W160-K169 HydrophobicContact CD2-CG 3.7Å; W160-K169 VanDerWaalsContact CE2-CG 3.42Å; W160-K169 HydrophobicContact CE3-CD 4.38Å; W160-K169 HydrophobicContact CE3-CG 3.98Å; W160-K169 HydrophobicContact CG-CG 4.36Å; W160-K169 HydrophobicContact CH2-CB 4.38Å; W160-K169 HydrophobicContact CH2-CG 3.8Å; W160-K169 HydrophobicContact CZ2-CB 4.19Å; W160-K169 HydrophobicContact CZ2-CG 3.5Å; W160-K169 VanDerWaalsContact CZ2-CG 3.5Å; W160-K169 HydrophobicContact CZ3-CG 4.02Å; W160-W173 HydrophobicContact CH2-CB 4.13Å; W160-W173 HydrophobicContact CH2-CD2 4.34Å; W160-W173 HydrophobicContact CH2-CG 4.01Å; W160-W173 HydrophobicContact CZ3-CB 4.34Å; W160-W173 AromaticContact CZ3-CD2 3.7Å; W160-W173 HydrophobicContact CZ3-CD2 3.7Å; W160-W173 AromaticContact CZ3-CE2 3.99Å; W160-W173 HydrophobicContact CZ3-CE3 4.01Å; W160-W173 AromaticContact CZ3-CG 3.86Å; W160-W173 HydrophobicContact CZ3-CG 3.86Å
161	T	85.9	Confident	86.4	Confident	114 Å²	114	62.9 Å²	62.9	70%	0.699	33%	0.331	S	S	*	.	H	α-helix	trans	-63.7	-27.9	-177	46.8	0	0	0	0	112.9	H159 G165	H159-T161 PolarHBondContact O-N 2.79Å; T161-G165 WeakPolarHBondContact O-CA 3.23Å; T161-G165 PolarHBondContact O-N 2.92Å
162	F	85.3	Confident	86.2	Confident	43 Å²	43	64.5 Å²	64.5	19%	0.189	34%	0.343	C	S	.	.	H	α-helix	trans	-89.7	-43.5	179.2	-178.2	-103	0	0	0	112.7	S94 Y95 L96 D99 F102 R119 H159 W160	S94-F162 WeakPolarHBondContact OG-CZ 3.14Å; Y95-F162 HydrophobicContact CD1-CD2 4.19Å; Y95-F162 HydrophobicContact CD1-CE2 4.14Å; Y95-F162 HydrophobicContact CD1-CG 4.41Å; Y95-F162 HydrophobicContact CD1-CZ 4.34Å; Y95-F162 HydrophobicContact CE1-CB 3.95Å; Y95-F162 AromaticContact CE1-CD1 3.84Å; Y95-F162 HydrophobicContact CE1-CD1 3.84Å; Y95-F162 AromaticContact CE1-CD2 3.54Å; Y95-F162 HydrophobicContact CE1-CD2 3.54Å; Y95-F162 HydrophobicContact CE1-CE1 4.24Å; Y95-F162 AromaticContact CE1-CE2 3.96Å; Y95-F162 HydrophobicContact CE1-CE2 3.96Å; Y95-F162 AromaticContact CE1-CG 3.49Å; Y95-F162 HydrophobicContact CE1-CG 3.49Å; Y95-F162 VanDerWaalsContact CE1-CG 3.49Å; Y95-F162 HydrophobicContact CE1-CZ 4.29Å; Y95-F162 HydrophobicContact CE2-CD1 4.46Å; Y95-F162 AromaticContact CZ-CD1 3.78Å; Y95-F162 AromaticContact CZ-CG 3.71Å; Y95-F162 VanDerWaalsContact OH-CB 3.23Å; Y95-F162 WeakPolarHBondContact OH-CB 3.27Å; L96-F162 HydrophobicContact CB-CE1 4.24Å; L96-F162 HydrophobicContact CD1-CD1 3.76Å; L96-F162 HydrophobicContact CD1-CE1 3.83Å; L96-F162 HydrophobicContact CG-CD1 4.07Å; L96-F162 HydrophobicContact CG-CE1 3.89Å; D99-F162 WeakPolarHBondContact OD2-CE1 3.39Å; F102-F162 HydrophobicContact CZ-CZ 4.25Å; R119-F162 PolarHBondContact NE-O 2.92Å; R119-F162 PolarHBondContact NH2-O 2.9Å; H159-F162 PolarHBondContact O-N 2.85Å; H159-F162 VanDerWaalsContact O-N 3.15Å; W160-F162 PolarHBondContact O-N 2.8Å
163	L	84.8	Confident	86	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-75.1	-33.6	-179.4	-73.1	168	0	0	0	113.2	L96 L122 V127 L130 H159	L96-L163 HydrophobicContact CD1-CD1 4.26Å; L96-L163 HydrophobicContact CD1-CD2 3.58Å; L96-L163 HydrophobicContact CD1-CG 3.93Å; L122-L163 HydrophobicContact CD1-CD2 3.74Å; V127-L163 HydrophobicContact CG1-CD1 4.33Å; V127-L163 HydrophobicContact CG2-CB 4.39Å; L130-L163 HydrophobicContact CB-CD2 4.47Å; L130-L163 HydrophobicContact CD1-CD2 4.14Å; H159-L163 HydrophobicContact CB-CD1 3.74Å; H159-L163 HydrophobicContact CB-CG 4.29Å; H159-L163 PolarHBondContact O-N 2.99Å
164	L	83.4	Confident	85.9	Confident	11 Å²	11	68.5 Å²	68.5	6%	0.058	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-6.8	-170.5	-67.9	168.4	0	0	0	113.8	W124 V127 I156 W160 R167	W124-L164 HydrophobicContact CH2-CD1 3.66Å; W124-L164 HydrophobicContact CZ2-CD1 4.33Å; W124-L164 HydrophobicContact CZ3-CD1 3.95Å; V127-L164 HydrophobicContact CG2-CD2 3.96Å; V127-L164 HydrophobicContact CG2-CG 4.36Å; I156-L164 HydrophobicContact CG2-CD1 4.4Å; W160-L164 HydrophobicContact CD2-CB 4.44Å; W160-L164 HydrophobicContact CD2-CD1 3.76Å; W160-L164 HydrophobicContact CE3-CD1 3.59Å; W160-L164 HydrophobicContact CH2-CD1 3.7Å; W160-L164 HydrophobicContact CZ2-CD1 3.85Å; W160-L164 HydrophobicContact CZ3-CD1 3.57Å; W160-L164 WeakPolarHBondContact O-CA 3.46Å; W160-L164 WeakPolarHBondContact O-CB 3.41Å; W160-L164 PolarHBondContact O-N 3.2Å; L164-R167 HydrophobicContact CB-CB 4.27Å; L164-R167 WeakPolarHBondContact O-CB 3.35Å; L164-R167 WeakPolarHBondContact O-CD 3.47Å; L164-R167 VanDerWaalsContact O-CG 3.23Å; L164-R167 WeakPolarHBondContact O-CG 3.4Å; L164-R167 PolarHBondContact O-N 2.98Å
165	G	81.4	Confident	85.7	Confident	30 Å²	30	69.7 Å²	69.7	31%	0.309	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-142.5	178.1	0	0	0	0	0	112.7	W160 T161 R167	W160-G165 PolarHBondContact O-N 2.92Å; T161-G165 WeakPolarHBondContact O-CA 3.23Å; T161-G165 PolarHBondContact O-N 2.92Å; G165-R167 PolarHBondContact O-N 3.17Å
166	N	75.9	Confident	85.6	Confident	176 Å²	176	71.7 Å²	71.7	94%	0.941	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	20.5	-179.8	-65.2	-15.7	0	0	0	114.5	K168	N166-K168 PolarHBondContact O-N 3.12Å
167	R	80.1	Confident	85.6	Confident	105 Å²	105	71.7 Å²	71.7	40%	0.396	38%	0.376	S	S	.	.			trans	-68.6	120.5	171.5	-76.7	175.2	170.6	165.7	1.8	109.5	L122 W160 L164 G165	L122-R167 PolarHBondContact O-NH1 3.33Å; L122-R167 PolarHBondContact O-NH2 2.97Å; W160-R167 HydrophobicContact CZ2-CB 4.5Å; W160-R167 PolarHBondContact NE1-O 2.98Å; L164-R167 HydrophobicContact CB-CB 4.27Å; L164-R167 WeakPolarHBondContact O-CB 3.35Å; L164-R167 WeakPolarHBondContact O-CD 3.47Å; L164-R167 VanDerWaalsContact O-CG 3.23Å; L164-R167 WeakPolarHBondContact O-CG 3.4Å; L164-R167 PolarHBondContact O-N 2.98Å; G165-R167 PolarHBondContact O-N 3.17Å
168	K	81.3	Confident	85.5	Confident	193 Å²	193	69.6 Å²	69.6	84%	0.839	37%	0.371	S	S	*	.			trans	-64.1	133.3	175.3	-63.2	-173.1	178	-173.8	0	110.6	N166 T170	N166-K168 PolarHBondContact O-N 3.12Å; K168-T170 PolarHBondContact O-N 3.33Å
169	K	82.8	Confident	85.5	Confident	99 Å²	99	64.6 Å²	64.6	43%	0.43	36%	0.359	S	S	.	.			trans	-63	104.8	173.7	-73.5	-180	176.7	-178.3	0	109.9	E157 W160	E157-K169 PolarHBondContact O-NZ 2.93Å; E157-K169 WeakPolarHBondContact OE1-CE 3.5Å; E157-K169 IonicContact OE1-NZ 2.7Å; E157-K169 PolarHBondContact OE1-NZ 3.02Å; W160-K169 HydrophobicContact CD2-CD 4.18Å; W160-K169 HydrophobicContact CD2-CG 3.7Å; W160-K169 VanDerWaalsContact CE2-CG 3.42Å; W160-K169 HydrophobicContact CE3-CD 4.38Å; W160-K169 HydrophobicContact CE3-CG 3.98Å; W160-K169 HydrophobicContact CG-CG 4.36Å; W160-K169 HydrophobicContact CH2-CB 4.38Å; W160-K169 HydrophobicContact CH2-CG 3.8Å; W160-K169 HydrophobicContact CZ2-CB 4.19Å; W160-K169 HydrophobicContact CZ2-CG 3.5Å; W160-K169 VanDerWaalsContact CZ2-CG 3.5Å; W160-K169 HydrophobicContact CZ3-CG 4.02Å
170	T	82.9	Confident	85.6	Confident	78 Å²	78	64.5 Å²	64.5	48%	0.479	36%	0.361	S	S	.	.			trans	-79.3	137.3	172.8	53.7	0	0	0	0	110	K168 T172 W173	K168-T170 PolarHBondContact O-N 3.33Å; T170-T172 PolarHBondContact O-N 3.41Å; T170-W173 WeakPolarHBondContact O-CB 3.35Å; T170-W173 PolarHBondContact O-N 3.27Å
171	S	77.9	Confident	85.7	Confident	119 Å²	119	63.7 Å²	63.7	83%	0.832	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-23.2	-179.1	53	0	0	0	0	115
172	T	86.2	Confident	85.9	Confident	78 Å²	78	61.8 Å²	61.8	48%	0.479	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.1	176.2	58	0	0	0	0	115.1	T170 W174 S175 T176	T170-T172 PolarHBondContact O-N 3.41Å; T172-W174 VanDerWaalsContact C-N 3.34Å; T172-W174 PolarHBondContact O-N 2.96Å; T172-S175 PolarHBondContact O-N 2.77Å; T172-S175 PolarHBondContact O-OG 2.74Å; T172-T176 PolarHBondContact O-N 2.83Å; T172-T176 PolarHBondContact O-OG1 2.93Å
173	W	89.4	Confident	86.1	Confident	7 Å²	7	66 Å²	66	3%	0.027	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-39.6	-171.6	76.4	-105.9	0	0	0	112.7	W124 C153 I156 E157 W160 T170 S175 T176 V177	W124-W173 HydrophobicContact CH2-CB 4.15Å; W124-W173 HydrophobicContact CH2-CE3 4.42Å; W124-W173 HydrophobicContact CZ2-CB 4.47Å; W124-W173 HydrophobicContact CZ3-CE3 4.49Å; C153-W173 HydrophobicContact CB-CH2 3.76Å; C153-W173 HydrophobicContact CB-CZ3 3.92Å; C153-W173 WeakPolarHBondContact O-CH2 3.23Å; I156-W173 HydrophobicContact CB-CZ3 4.36Å; I156-W173 HydrophobicContact CG2-CZ3 4.05Å; E157-W173 HydrophobicContact CB-CH2 4.21Å; E157-W173 HydrophobicContact CB-CZ2 4.2Å; W160-W173 HydrophobicContact CH2-CB 4.13Å; W160-W173 HydrophobicContact CH2-CD2 4.34Å; W160-W173 HydrophobicContact CH2-CG 4.01Å; W160-W173 HydrophobicContact CZ3-CB 4.34Å; W160-W173 AromaticContact CZ3-CD2 3.7Å; W160-W173 HydrophobicContact CZ3-CD2 3.7Å; W160-W173 AromaticContact CZ3-CE2 3.99Å; W160-W173 HydrophobicContact CZ3-CE3 4.01Å; W160-W173 AromaticContact CZ3-CG 3.86Å; W160-W173 HydrophobicContact CZ3-CG 3.86Å; T170-W173 WeakPolarHBondContact O-CB 3.35Å; T170-W173 PolarHBondContact O-N 3.27Å; W173-S175 VanDerWaalsContact C-N 3.28Å; W173-S175 PolarHBondContact O-N 3.37Å; W173-T176 WeakPolarHBondContact O-CA 3.47Å; W173-T176 VanDerWaalsContact O-CB 3.25Å; W173-T176 WeakPolarHBondContact O-CB 2.96Å; W173-T176 PolarHBondContact O-N 3.41Å; W173-V177 HydrophobicContact CE3-CG2 4.03Å; W173-V177 HydrophobicContact CZ3-CG2 4.06Å; W173-V177 PolarHBondContact O-N 2.85Å; W173-V177 VanDerWaalsContact O-N 3.15Å
174	W	89.8	Confident	86	Confident	77 Å²	77	66.3 Å²	66.3	29%	0.292	38%	0.382	S	S	.	.	H	α-helix	trans	-50.5	-44.2	170.8	-59.8	82	0	0	0	112.9	W148 K149 C153 E157 T172 T176 V177 A178	W148-W174 HydrophobicContact CZ3-CB 4.34Å; K149-W174 HydrophobicContact CG-CE3 3.84Å; K149-W174 HydrophobicContact CG-CZ3 3.57Å; K149-W174 WeakPolarHBondContact O-CZ3 3.47Å; C153-W174 HydrophobicContact CB-CD2 4.29Å; C153-W174 HydrophobicContact CB-CE3 3.41Å; C153-W174 VanDerWaalsContact CB-CE3 3.41Å; C153-W174 HydrophobicContact CB-CH2 3.93Å; C153-W174 HydrophobicContact CB-CZ3 3.21Å; C153-W174 VanDerWaalsContact SG-CE3 3.58Å; E157-W174 WeakPolarHBondContact OE2-CZ2 3.3Å; T172-W174 VanDerWaalsContact C-N 3.34Å; T172-W174 PolarHBondContact O-N 2.96Å; W174-T176 PolarHBondContact O-N 3.38Å; W174-V177 PolarHBondContact O-N 3.34Å; W174-A178 PolarHBondContact O-N 3.48Å
175	S	87.4	Confident	85.9	Confident	71 Å²	71	68.1 Å²	68.1	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-69.5	-21.3	177.8	71	0	0	0	0	113.4	T172 W173 G179	T172-S175 PolarHBondContact O-N 2.77Å; T172-S175 PolarHBondContact O-OG 2.74Å; W173-S175 VanDerWaalsContact C-N 3.28Å; W173-S175 PolarHBondContact O-N 3.37Å; S175-G179 PolarHBondContact O-N 2.7Å
176	T	91.3	Very high	85.9	Confident	51 Å²	51	71.7 Å²	71.7	31%	0.313	41%	0.413	S	S	.	.	H	α-helix	trans	-77	-36.6	174.1	-48	0	0	0	0	110.8	W124 T172 W173 W174 C180	W124-T176 HydrophobicContact CB-CG2 4.43Å; W124-T176 HydrophobicContact CD2-CG2 3.95Å; W124-T176 HydrophobicContact CG-CG2 3.75Å; T172-T176 PolarHBondContact O-N 2.83Å; T172-T176 PolarHBondContact O-OG1 2.93Å; W173-T176 WeakPolarHBondContact O-CA 3.47Å; W173-T176 VanDerWaalsContact O-CB 3.25Å; W173-T176 WeakPolarHBondContact O-CB 2.96Å; W173-T176 PolarHBondContact O-N 3.41Å; W174-T176 PolarHBondContact O-N 3.38Å; T176-C180 WeakPolarHBondContact O-CB 3.27Å; T176-C180 PolarHBondContact O-N 2.88Å
177	V	92.6	Very high	86.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-50.4	171.5	174.7	0	0	0	0	110.7	W124 V128 I152 I156 W173 W174 G179 C180 L181	W124-V177 HydrophobicContact CE3-CG2 4.12Å; W124-V177 HydrophobicContact CZ3-CG2 3.94Å; V128-V177 HydrophobicContact CG2-CG1 3.96Å; V128-V177 HydrophobicContact CG2-CG2 4.36Å; I152-V177 HydrophobicContact CG2-CG1 4.35Å; I156-V177 HydrophobicContact CD1-CG1 4.38Å; I156-V177 HydrophobicContact CD1-CG2 3.97Å; W173-V177 HydrophobicContact CE3-CG2 4.03Å; W173-V177 HydrophobicContact CZ3-CG2 4.06Å; W173-V177 PolarHBondContact O-N 2.85Å; W173-V177 VanDerWaalsContact O-N 3.15Å; W174-V177 PolarHBondContact O-N 3.34Å; V177-G179 PolarHBondContact O-N 3.37Å; V177-C180 WeakPolarHBondContact O-CB 3.08Å; V177-C180 PolarHBondContact O-N 2.99Å; V177-C180 VanDerWaalsContact O-N 3.1Å; V177-L181 HydrophobicContact CG1-CD1 4.17Å; V177-L181 PolarHBondContact O-N 3.27Å
178	A	89.9	Confident	86.5	Confident	27 Å²	27	68.4 Å²	68.4	22%	0.223	40%	0.395	C	S	.	.	H	α-helix	trans	-58.3	-45.2	176.5	0	0	0	0	0	112.3	W148 W174 C180 L181 S182	W148-A178 HydrophobicContact CD2-CB 4.39Å; W148-A178 HydrophobicContact CE3-CB 3.95Å; W148-A178 HydrophobicContact CH2-CB 4.22Å; W148-A178 HydrophobicContact CZ3-CB 3.87Å; W174-A178 PolarHBondContact O-N 3.48Å; A178-C180 VanDerWaalsContact C-N 3.32Å; A178-C180 PolarHBondContact O-N 3.15Å; A178-L181 PolarHBondContact O-N 3.31Å; A178-S182 PolarHBondContact O-N 3.25Å; A178-S182 VanDerWaalsContact O-N 3.1Å; A178-S182 PolarHBondContact O-OG 3.44Å
179	G	89.2	Confident	87.1	Confident	34 Å²	34	59.2 Å²	59.2	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-35.6	174.8	0	0	0	0	0	113.5	S175 V177 V183	S175-G179 PolarHBondContact O-N 2.7Å; V177-G179 PolarHBondContact O-N 3.37Å; G179-V183 WeakPolarHBondContact O-CB 3.31Å; G179-V183 VanDerWaalsContact O-CG2 3.28Å; G179-V183 WeakPolarHBondContact O-CG2 3.32Å; G179-V183 PolarHBondContact O-N 3.47Å
180	C	91.7	Very high	87.4	Confident	21 Å²	21	60.6 Å²	60.6	14%	0.142	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-38.2	176.8	-168.4	0	0	0	0	112.6	Q125 T176 V177 A178 G184 F189	Q125-C180 WeakPolarHBondContact CA-SG 3.35Å; T176-C180 WeakPolarHBondContact O-CB 3.27Å; T176-C180 PolarHBondContact O-N 2.88Å; V177-C180 WeakPolarHBondContact O-CB 3.08Å; V177-C180 PolarHBondContact O-N 2.99Å; V177-C180 VanDerWaalsContact O-N 3.1Å; A178-C180 VanDerWaalsContact C-N 3.32Å; A178-C180 PolarHBondContact O-N 3.15Å; C180-G184 PolarHBondContact O-N 2.99Å; C180-F189 WeakPolarHBondContact O-CE2 3.35Å
181	L	90.8	Very high	87.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-47.5	173.9	-72.8	165.4	0	0	0	111	V128 M132 W148 I152 V177 A178 G184 S185 F189 W202	V128-L181 HydrophobicContact CG1-CD2 3.64Å; V128-L181 HydrophobicContact CG1-CG 4.12Å; M132-L181 HydrophobicContact SD-CD2 3.74Å; W148-L181 HydrophobicContact CB-CD1 3.5Å; W148-L181 VanDerWaalsContact CB-CD1 3.5Å; W148-L181 HydrophobicContact CG-CD1 4.49Å; I152-L181 HydrophobicContact CD1-CD1 4.24Å; I152-L181 HydrophobicContact CD1-CD2 4.31Å; V177-L181 HydrophobicContact CG1-CD1 4.17Å; V177-L181 PolarHBondContact O-N 3.27Å; A178-L181 PolarHBondContact O-N 3.31Å; L181-G184 PolarHBondContact O-N 3.03Å; L181-S185 WeakPolarHBondContact O-CB 3.3Å; L181-S185 PolarHBondContact O-N 2.95Å; L181-F189 HydrophobicContact CD2-CB 4.21Å; L181-F189 HydrophobicContact CD2-CD1 3.96Å; L181-F189 HydrophobicContact CD2-CD2 4.09Å; L181-F189 HydrophobicContact CD2-CE1 4.35Å; L181-F189 HydrophobicContact CD2-CE2 4.48Å; L181-F189 HydrophobicContact CD2-CG 3.81Å; L181-W202 HydrophobicContact CB-CD2 3.95Å; L181-W202 HydrophobicContact CB-CE3 4.02Å; L181-W202 HydrophobicContact CB-CH2 4.08Å; L181-W202 HydrophobicContact CB-CZ2 4.01Å; L181-W202 HydrophobicContact CB-CZ3 4.09Å; L181-W202 HydrophobicContact CD1-CD2 4.28Å; L181-W202 HydrophobicContact CD1-CG 4.11Å; L181-W202 HydrophobicContact CD2-CB 4.23Å; L181-W202 HydrophobicContact CD2-CD2 4.19Å; L181-W202 HydrophobicContact CD2-CE3 4.35Å; L181-W202 HydrophobicContact CD2-CG 4.15Å; L181-W202 HydrophobicContact CG-CD2 4.38Å; L181-W202 WeakPolarHBondContact O-CZ3 3.36Å
182	S	89.8	Confident	88.2	Confident	73 Å²	73	53.2 Å²	53.2	51%	0.51	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-44	177.5	-58.8	0	0	0	0	113.3	A178 S185	A178-S182 PolarHBondContact O-N 3.25Å; A178-S182 VanDerWaalsContact O-N 3.1Å; A178-S182 PolarHBondContact O-OG 3.44Å; S182-S185 PolarHBondContact O-N 2.57Å
183	V	89.2	Confident	88.3	Confident	132 Å²	132	51.2 Å²	51.2	80%	0.8	30%	0.301	S	S	*	.	H	α-helix	trans	-74.2	-28.7	-179.4	172.1	0	0	0	0	112.3	G179 S185	G179-V183 WeakPolarHBondContact O-CB 3.31Å; G179-V183 VanDerWaalsContact O-CG2 3.28Å; G179-V183 WeakPolarHBondContact O-CG2 3.32Å; G179-V183 PolarHBondContact O-N 3.47Å; V183-S185 VanDerWaalsContact C-N 3.29Å; V183-S185 PolarHBondContact O-N 2.93Å
184	G	82.3	Confident	87.9	Confident	10 Å²	10	60 Å²	60	10%	0.103	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3	175.2	0	0	0	0	0	114.6	C180 L181 M187 Y188 F189	C180-G184 PolarHBondContact O-N 2.99Å; L181-G184 PolarHBondContact O-N 3.03Å; G184-M187 PolarHBondContact O-N 3.27Å; G184-M187 VanDerWaalsContact O-N 3.16Å; G184-Y188 PolarHBondContact O-N 3.24Å; G184-F189 PolarHBondContact O-N 3.33Å
185	S	83	Confident	87.5	Confident	49 Å²	49	61.1 Å²	61.1	34%	0.343	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	136.1	178.6	174.8	0	0	0	0	111.2	L181 S182 V183 F189	L181-S185 WeakPolarHBondContact O-CB 3.3Å; L181-S185 PolarHBondContact O-N 2.95Å; S182-S185 PolarHBondContact O-N 2.57Å; V183-S185 VanDerWaalsContact C-N 3.29Å; V183-S185 PolarHBondContact O-N 2.93Å; S185-F189 VanDerWaalsContact CA-O 3.3Å; S185-F189 WeakPolarHBondContact CA-O 3.34Å; S185-F189 WeakPolarHBondContact CB-O 3.25Å; S185-F189 PolarHBondContact OG-O 3.26Å
186	P	81.3	Confident	87.3	Confident	105 Å²	105	59.8 Å²	59.8	68%	0.682	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.3	15.5	3.1	38.7	-36.9	0	0	0	113.9	F189 V205	P186-F189 WeakPolarHBondContact CA-O 3.3Å; P186-V205 WeakPolarHBondContact O-CG2 3.39Å
187	M	83.8	Confident	86.6	Confident	131 Å²	131	60.5 Å²	60.5	65%	0.645	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-34.7	-169.4	-172.4	176.9	-176.4	0	0	114.1	G184	G184-M187 PolarHBondContact O-N 3.27Å; G184-M187 VanDerWaalsContact O-N 3.16Å
188	Y	84.9	Confident	86.1	Confident	81 Å²	81	65 Å²	65	32%	0.318	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-35.9	-178.8	-57.7	-83.1	0	0	0	111.7	Q125 M129 G184 V205	Q125-Y188 VanDerWaalsContact NE2-CD2 3.29Å; M129-Y188 HydrophobicContact CE-CD1 3.79Å; M129-Y188 HydrophobicContact CE-CE1 4.41Å; M129-Y188 HydrophobicContact SD-CD1 3.74Å; M129-Y188 HydrophobicContact SD-CE1 4.34Å; M129-Y188 HydrophobicContact SD-CG 4.22Å; G184-Y188 PolarHBondContact O-N 3.24Å; Y188-V205 PolarHBondContact O-N 3.34Å
189	F	92.1	Very high	85.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	-177.2	-45.1	-61.9	0	0	0	110.8	V128 M129 M132 C180 L181 G184 S185 P186 W202 K203 L204 V205	V128-F189 HydrophobicContact CB-CE1 4.47Å; V128-F189 HydrophobicContact CB-CZ 4.07Å; V128-F189 HydrophobicContact CG1-CD1 4.5Å; V128-F189 HydrophobicContact CG1-CE1 3.7Å; V128-F189 HydrophobicContact CG1-CE2 4.38Å; V128-F189 HydrophobicContact CG1-CZ 3.63Å; M129-F189 HydrophobicContact CG-CE1 3.72Å; M129-F189 HydrophobicContact CG-CZ 3.75Å; M132-F189 HydrophobicContact CE-CD1 4.32Å; M132-F189 HydrophobicContact SD-CD1 3.52Å; M132-F189 VanDerWaalsContact SD-CD1 3.52Å; M132-F189 HydrophobicContact SD-CE1 3.74Å; C180-F189 WeakPolarHBondContact O-CE2 3.35Å; L181-F189 HydrophobicContact CD2-CB 4.21Å; L181-F189 HydrophobicContact CD2-CD1 3.96Å; L181-F189 HydrophobicContact CD2-CD2 4.09Å; L181-F189 HydrophobicContact CD2-CE1 4.35Å; L181-F189 HydrophobicContact CD2-CE2 4.48Å; L181-F189 HydrophobicContact CD2-CG 3.81Å; G184-F189 PolarHBondContact O-N 3.33Å; S185-F189 VanDerWaalsContact CA-O 3.3Å; S185-F189 WeakPolarHBondContact CA-O 3.34Å; S185-F189 WeakPolarHBondContact CB-O 3.25Å; S185-F189 PolarHBondContact OG-O 3.26Å; P186-F189 WeakPolarHBondContact CA-O 3.3Å; F189-W202 HydrophobicContact CB-CE3 4.13Å; F189-K203 CarbonylContact C-O 3.54Å; F189-K203 WeakPolarHBondContact CA-O 3.14Å; F189-L204 HydrophobicContact CD1-CD2 4Å; F189-L204 HydrophobicContact CE1-CD2 3.96Å; F189-V205 VanDerWaalsContact C-CG2 3.46Å
190	R	90.6	Very high	85.7	Confident	128 Å²	128	68.5 Å²	68.5	48%	0.483	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.3	171.2	-176.9	179.2	-66.2	-177.9	3.6	108.6	Y145 W202 K203 V205	Y145-R190 HydrophobicContact CE1-CG 4.46Å; Y145-R190 WeakPolarHBondContact OH-CD 3.49Å; R190-W202 CarbonylContact O-C 3.51Å; R190-W202 VanDerWaalsContact O-CA 3.26Å; R190-W202 WeakPolarHBondContact O-CA 3.42Å; R190-K203 PolarHBondContact N-O 3.09Å; R190-K203 PolarHBondContact O-N 3.32Å; R190-V205 HydrophobicContact CB-CG2 3.99Å
191	S	91.4	Very high	85.7	Confident	42 Å²	42	68.8 Å²	68.8	29%	0.294	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.3	171.9	-169.9	0	0	0	0	110.7	A193 W201	S191-A193 VanDerWaalsContact C-N 3.25Å; S191-A193 PolarHBondContact O-N 2.82Å; S191-A193 PolarHBondContact OG-N 3.44Å; S191-W201 WeakPolarHBondContact CA-O 3.36Å; S191-W201 PolarHBondContact OG-O 2.8Å
192	G	86.5	Confident	85.8	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.394	C	S	.	.			trans	-84.3	9.7	174.8	0	0	0	0	0	113.7	Y145 Q194 E195 F196 W201	Y145-G192 VanDerWaalsContact CE1-CA 3.49Å; G192-Q194 PolarHBondContact O-N 3.37Å; G192-E195 PolarHBondContact O-N 2.98Å; G192-F196 WeakPolarHBondContact O-CD2 3.34Å; G192-F196 PolarHBondContact O-N 2.67Å; G192-W201 PolarHBondContact N-O 2.97Å
193	A	87.4	Confident	85.9	Confident	36 Å²	36	70.2 Å²	70.2	30%	0.298	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-28.4	-175.4	0	0	0	0	0	113.9	S191 G197 E198	S191-A193 VanDerWaalsContact C-N 3.25Å; S191-A193 PolarHBondContact O-N 2.82Å; S191-A193 PolarHBondContact OG-N 3.44Å; A193-G197 CarbonylContact O-C 3.42Å; A193-G197 WeakPolarHBondContact O-CA 3.33Å; A193-G197 PolarHBondContact O-N 3.01Å; A193-E198 WeakPolarHBondContact CA-O 3.49Å
194	Q	81.1	Confident	85.9	Confident	193 Å²	193	64.7 Å²	64.7	90%	0.902	35%	0.351	S	S	*	.	H	α-helix	trans	-83.4	-22.8	174.1	-170.9	172.7	5.2	0	0	113	G192	G192-Q194 PolarHBondContact O-N 3.37Å
195	E	82.3	Confident	86.1	Confident	99 Å²	99	66 Å²	66	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-87.7	-33	-178	-65.4	175.5	-163.7	0	0	112	Y145 G192	Y145-E195 WeakPolarHBondContact CE2-OE2 3.4Å; Y145-E195 PolarHBondContact OH-OE1 2.9Å; Y145-E195 PolarHBondContact OH-OE2 3Å; G192-E195 PolarHBondContact O-N 2.98Å
196	F	81.8	Confident	86.1	Confident	43 Å²	43	70 Å²	70	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-108.9	-3.6	-179.8	-59.2	-68.4	0	0	0	114.6	R142 Y145 G192 E198 W201	R142-F196 HydrophobicContact CB-CZ 4.44Å; R142-F196 HydrophobicContact CG-CE1 4.03Å; R142-F196 HydrophobicContact CG-CZ 4.32Å; Y145-F196 HydrophobicContact CD1-CE2 4.39Å; Y145-F196 AromaticContact CD2-CE2 3.64Å; Y145-F196 HydrophobicContact CD2-CE2 3.64Å; Y145-F196 AromaticContact CD2-CZ 3.99Å; Y145-F196 HydrophobicContact CD2-CZ 3.99Å; Y145-F196 HydrophobicContact CE2-CE2 4.24Å; Y145-F196 AromaticContact CG-CE2 3.72Å; Y145-F196 HydrophobicContact CG-CE2 3.72Å; Y145-F196 HydrophobicContact CG-CZ 4.41Å; G192-F196 WeakPolarHBondContact O-CD2 3.34Å; G192-F196 PolarHBondContact O-N 2.67Å; F196-E198 PolarHBondContact O-N 2.89Å; F196-W201 HydrophobicContact CD2-CB 3.84Å; F196-W201 AromaticContact CD2-CD1 3.94Å; F196-W201 HydrophobicContact CD2-CD2 4.21Å; F196-W201 AromaticContact CD2-CG 3.72Å; F196-W201 HydrophobicContact CD2-CG 3.72Å; F196-W201 HydrophobicContact CE2-CB 4.29Å; F196-W201 HydrophobicContact CE2-CG 4.36Å; F196-W201 HydrophobicContact CG-CG 4.35Å
197	G	76.3	Confident	86	Confident	67 Å²	67	68.8 Å²	68.8	69%	0.691	36%	0.358	S	S	*	.	S	Bend	trans	69.1	-12.9	-173.1	0	0	0	0	0	115.3	A193	A193-G197 CarbonylContact O-C 3.42Å; A193-G197 WeakPolarHBondContact O-CA 3.33Å; A193-G197 PolarHBondContact O-N 3.01Å
198	E	83.3	Confident	85.7	Confident	95 Å²	95	70 Å²	70	44%	0.444	36%	0.36	S	S	.	.	S	Bend	trans	-102	131	-178.8	-65.4	-175.1	148.5	0	0	112.6	A193 F196 G200 W201	A193-E198 WeakPolarHBondContact CA-O 3.49Å; F196-E198 PolarHBondContact O-N 2.89Å; E198-G200 PolarHBondContact O-N 3.27Å; E198-W201 PolarHBondContact OE2-NE1 3.17Å
199	P	83.6	Confident	85.2	Confident	121 Å²	121	68 Å²	68	79%	0.786	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	126	174.4	30.3	-33.7	0	0	0	111.5
200	G	87.7	Confident	84.6	Confident	12 Å²	12	68.6 Å²	68.6	12%	0.124	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	133.5	-4.9	169.9	0	0	0	0	0	116.2	R147 W148 E198	R147-G200 WeakPolarHBondContact CA-O 3.31Å; W148-G200 PolarHBondContact N-O 3.03Å; E198-G200 PolarHBondContact O-N 3.27Å
201	W	90.9	Very high	83.9	Confident	28 Å²	28	67.3 Å²	67.3	11%	0.106	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.9	171.6	-64.3	98.6	0	0	0	111.2	R142 Y145 F146 R147 S191 G192 F196 E198	R142-W201 HydrophobicContact CB-CE3 4.48Å; R142-W201 HydrophobicContact CB-CH2 4.15Å; R142-W201 HydrophobicContact CB-CZ3 3.84Å; Y145-W201 HydrophobicContact CD1-CB 4.4Å; F146-W201 CarbonylContact O-C 3.59Å; R147-W201 HydrophobicContact CG-CD2 4.04Å; R147-W201 HydrophobicContact CG-CE3 3.81Å; R147-W201 HydrophobicContact CG-CH2 3.65Å; R147-W201 HydrophobicContact CG-CZ2 3.87Å; R147-W201 HydrophobicContact CG-CZ3 3.62Å; S191-W201 WeakPolarHBondContact CA-O 3.36Å; S191-W201 PolarHBondContact OG-O 2.8Å; G192-W201 PolarHBondContact N-O 2.97Å; F196-W201 HydrophobicContact CD2-CB 3.84Å; F196-W201 AromaticContact CD2-CD1 3.94Å; F196-W201 HydrophobicContact CD2-CD2 4.21Å; F196-W201 AromaticContact CD2-CG 3.72Å; F196-W201 HydrophobicContact CD2-CG 3.72Å; F196-W201 HydrophobicContact CE2-CB 4.29Å; F196-W201 HydrophobicContact CE2-CG 4.36Å; F196-W201 HydrophobicContact CG-CG 4.35Å; E198-W201 PolarHBondContact OE2-NE1 3.17Å
202	W	92.9	Very high	83.1	Confident	26 Å²	26	67.6 Å²	67.6	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.7	-179.9	-60	85.3	0	0	0	113.2	M132 Y145 F146 I152 L181 F189 R190	M132-W202 HydrophobicContact CE-CB 3.88Å; M132-W202 WeakPolarHBondContact CE-O 3.38Å; Y145-W202 WeakPolarHBondContact CA-O 3.36Å; Y145-W202 VanDerWaalsContact CD1-C 3.49Å; F146-W202 PolarHBondContact N-O 2.94Å; F146-W202 PolarHBondContact O-N 2.89Å; I152-W202 HydrophobicContact CD1-CB 4.19Å; L181-W202 HydrophobicContact CB-CD2 3.95Å; L181-W202 HydrophobicContact CB-CE3 4.02Å; L181-W202 HydrophobicContact CB-CH2 4.08Å; L181-W202 HydrophobicContact CB-CZ2 4.01Å; L181-W202 HydrophobicContact CB-CZ3 4.09Å; L181-W202 HydrophobicContact CD1-CD2 4.28Å; L181-W202 HydrophobicContact CD1-CG 4.11Å; L181-W202 HydrophobicContact CD2-CB 4.23Å; L181-W202 HydrophobicContact CD2-CD2 4.19Å; L181-W202 HydrophobicContact CD2-CE3 4.35Å; L181-W202 HydrophobicContact CD2-CG 4.15Å; L181-W202 HydrophobicContact CG-CD2 4.38Å; L181-W202 WeakPolarHBondContact O-CZ3 3.36Å; F189-W202 HydrophobicContact CB-CE3 4.13Å; R190-W202 CarbonylContact O-C 3.51Å; R190-W202 VanDerWaalsContact O-CA 3.26Å; R190-W202 WeakPolarHBondContact O-CA 3.42Å
203	K	91.9	Very high	82.1	Confident	77 Å²	77	76 Å²	76	34%	0.335	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152	179	-179.6	164.7	-171.9	175.9	0	111.1	M132 Q143 G144 Y145 F189 R190	M132-K203 VanDerWaalsContact CE-C 3.42Å; Q143-K203 PolarHBondContact O-NZ 2.89Å; G144-K203 WeakPolarHBondContact O-CD 3.33Å; G144-K203 WeakPolarHBondContact O-CG 3.38Å; Y145-K203 HydrophobicContact CD1-CB 3.41Å; Y145-K203 VanDerWaalsContact CD1-CB 3.41Å; Y145-K203 HydrophobicContact CD2-CB 4.21Å; Y145-K203 HydrophobicContact CD2-CD 3.86Å; Y145-K203 HydrophobicContact CE1-CB 3.41Å; Y145-K203 VanDerWaalsContact CE1-CB 3.41Å; Y145-K203 HydrophobicContact CE1-CD 4.4Å; Y145-K203 HydrophobicContact CE2-CB 4.25Å; Y145-K203 HydrophobicContact CE2-CD 3.73Å; Y145-K203 HydrophobicContact CG-CB 3.81Å; Y145-K203 HydrophobicContact CG-CD 4.29Å; F189-K203 CarbonylContact C-O 3.54Å; F189-K203 WeakPolarHBondContact CA-O 3.14Å; R190-K203 PolarHBondContact N-O 3.09Å; R190-K203 PolarHBondContact O-N 3.32Å
204	L	89.4	Confident	80.8	Confident	15 Å²	15	75.6 Å²	75.6	8%	0.079	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.7	169.9	-81.3	171	0	0	0	110.1	M129 M132 F189 H206	M129-L204 HydrophobicContact CG-CD2 4.26Å; M132-L204 HydrophobicContact CB-CD1 3.83Å; M132-L204 HydrophobicContact CB-CD2 4.38Å; M132-L204 HydrophobicContact CB-CG 3.74Å; M132-L204 HydrophobicContact CE-CG 4.48Å; F189-L204 HydrophobicContact CD1-CD2 4Å; F189-L204 HydrophobicContact CE1-CD2 3.96Å; L204-H206 VanDerWaalsContact C-N 3.29Å; L204-H206 PolarHBondContact O-N 3.43Å
205	V	86.6	Confident	79.5	Confident	37 Å²	37	73.4 Å²	73.4	22%	0.224	39%	0.385	C	S	.	.	S	Bend	trans	-68.2	-32.7	-178.2	174.3	0	0	0	0	111.7	P186 Y188 F189 R190	P186-V205 WeakPolarHBondContact O-CG2 3.39Å; Y188-V205 PolarHBondContact O-N 3.34Å; F189-V205 VanDerWaalsContact C-CG2 3.46Å; R190-V205 HydrophobicContact CB-CG2 3.99Å
206	H	82.5	Confident	77.8	Confident	133 Å²	133	69.8 Å²	69.8	62%	0.616	37%	0.374	S	S	*	.	S	Bend	trans	-130.7	127.5	168.9	-56.3	-46.1	0	0	0	107.3	L204 K208	L204-H206 VanDerWaalsContact C-N 3.29Å; L204-H206 PolarHBondContact O-N 3.43Å; H206-K208 PolarHBondContact O-N 3.14Å
207	N	78.6	Confident	75.9	Confident	80 Å²	80	75.3 Å²	75.3	43%	0.428	40%	0.401	S	S	.	.			trans	-79.3	66.5	179.6	-159.7	32.4	0	0	0	111.1	Y133 S136	Y133-N207 WeakPolarHBondContact CD2-OD1 3.45Å; S136-N207 VanDerWaalsContact OG-CG 3.26Å; S136-N207 PolarHBondContact OG-ND2 3.24Å; S136-N207 PolarHBondContact OG-OD1 3.42Å
208	K	77.3	Confident	74.2	Confident	157 Å²	157	79.2 Å²	79.2	68%	0.683	40%	0.399	S	S	*	.			trans	-132.4	137.8	179.5	-63.6	-167.8	176.6	-168.7	0	109.4	H206	H206-K208 PolarHBondContact O-N 3.14Å
209	P	75.8	Confident	72.1	Confident	38 Å²	38	81.5 Å²	81.5	25%	0.247	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-69.7	153.9	179.9	29.4	-33.9	0	0	0	111.4	G98 Y133 T211	G98-P209 WeakPolarHBondContact O-CB 3.15Å; Y133-P209 HydrophobicContact CD1-CB 3.91Å; Y133-P209 HydrophobicContact CE1-CB 3.94Å; Y133-P209 HydrophobicContact CE1-CG 4.13Å; Y133-P209 HydrophobicContact CG-CB 4.25Å; P209-T211 PolarHBondContact O-N 3.1Å
210	P	79.6	Confident	69.7	Low	13 Å²	13	80.9 Å²	80.9	8%	0.084	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-66.9	128.1	174.9	27.1	-31	0	0	0	110.1	F101 Q126 M129 L130	F101-P210 HydrophobicContact CE2-CB 4.24Å; F101-P210 HydrophobicContact CE2-CG 3.96Å; F101-P210 WeakPolarHBondContact CE2-O 3.25Å; F101-P210 HydrophobicContact CZ-CB 4.06Å; F101-P210 HydrophobicContact CZ-CG 4.27Å; F101-P210 VanDerWaalsContact CZ-O 3.27Å; F101-P210 WeakPolarHBondContact CZ-O 3.34Å; Q126-P210 HydrophobicContact CG-CB 4.37Å; M129-P210 HydrophobicContact CB-CB 4.35Å; M129-P210 HydrophobicContact CB-CG 3.91Å; M129-P210 HydrophobicContact CE-CB 3.96Å; M129-P210 HydrophobicContact SD-CB 4.16Å; L130-P210 HydrophobicContact CD2-CG 3.94Å; L130-P210 HydrophobicContact CG-CG 3.8Å
211	T	74.8	Confident	67.1	Low	102 Å²	102	83.4 Å²	83.4	63%	0.626	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-97.9	135.2	-175.1	48.2	0	0	0	0	113.4	P209	P209-T211 PolarHBondContact O-N 3.1Å
212	M	74.1	Confident	64.4	Low	47 Å²	47	85.5 Å²	85.5	23%	0.232	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.9	164	-88.4	-68.1	-70.3	0	0	112.5	N100 F101 L120	N100-M212 WeakPolarHBondContact O-CG 3.4Å; N100-M212 WeakPolarHBondContact OD1-CB 3.47Å; N100-M212 WeakPolarHBondContact OD1-CG 3.43Å; N100-M212 PolarHBondContact OD1-N 3.24Å; N100-M212 VanDerWaalsContact OD1-N 3.07Å; F101-M212 HydrophobicContact CD1-CG 3.57Å; F101-M212 HydrophobicContact CD1-SD 3.41Å; F101-M212 WeakPolarHBondContact CD1-SD 3.44Å; F101-M212 HydrophobicContact CE1-CG 3.7Å; F101-M212 HydrophobicContact CE1-SD 3.66Å; F101-M212 HydrophobicContact CG-CG 4.09Å; F101-M212 HydrophobicContact CG-SD 4.36Å; F101-M212 HydrophobicContact CZ-CG 4.33Å; L120-M212 HydrophobicContact CD1-CE 3.33Å; L120-M212 HydrophobicContact CD1-SD 3.75Å
213	K	66.3	Low	61.6	Low	176 Å²	176	90.3 Å²	90.3	77%	0.765	48%	0.483	S	S	*	.			trans	-124.8	121.1	167.7	-65.1	-172.4	178.8	-173.7	0	109.1
214	P	59.6	Low	59.1	Low	29 Å²	29	94.9 Å²	94.9	19%	0.188	51%	0.51	C	S	.	.			trans	-73.9	152.1	-179.1	30.6	-35	0	0	0	111.8	F76 W83 G216	F76-P214 HydrophobicContact CB-CB 4.45Å; F76-P214 HydrophobicContact CD1-CB 3.39Å; F76-P214 HydrophobicContact CD1-CG 4.08Å; F76-P214 HydrophobicContact CD2-CB 4.14Å; F76-P214 HydrophobicContact CD2-CG 3.89Å; F76-P214 HydrophobicContact CE1-CB 3.43Å; F76-P214 VanDerWaalsContact CE1-CB 3.43Å; F76-P214 HydrophobicContact CE1-CG 4.03Å; F76-P214 HydrophobicContact CE2-CB 4.17Å; F76-P214 HydrophobicContact CE2-CG 3.84Å; F76-P214 HydrophobicContact CG-CB 3.73Å; F76-P214 HydrophobicContact CG-CG 3.98Å; F76-P214 HydrophobicContact CZ-CB 3.82Å; F76-P214 HydrophobicContact CZ-CG 3.89Å; W83-P214 HydrophobicContact CZ2-CG 4.25Å; P214-G216 VanDerWaalsContact C-N 3.26Å; P214-G216 PolarHBondContact O-N 3.06Å
215	E	53.7	Low	56.4	Low	146 Å²	146	101.8 Å²	101.8	68%	0.682	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-77.6	-8.5	-177.4	-63.8	-155	77.3	0	0	114.7	E217 K218	E215-E217 PolarHBondContact O-N 3.37Å; E215-K218 WeakPolarHBondContact O-CD 3.43Å; E215-K218 IonicContact OE1-NZ 4Å; E215-K218 PolarHBondContact OE1-NZ 3.27Å
216	G	47.2	Very low	53.8	Low	23 Å²	23	108.2 Å²	108.2	24%	0.237	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-75.4	-19.4	-165.5	0	0	0	0	0	117.2	P214 K218 L219	P214-G216 VanDerWaalsContact C-N 3.26Å; P214-G216 PolarHBondContact O-N 3.06Å; G216-K218 PolarHBondContact O-N 3.11Å; G216-L219 PolarHBondContact O-N 3.04Å
217	E	41.1	Very low	51.8	Low	160 Å²	160	112 Å²	112	75%	0.748	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-62.7	-4.4	-177.4	-65.6	-169.1	129.1	0	0	114.5	E215 L219	E215-E217 PolarHBondContact O-N 3.37Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.95Å
218	K	41.6	Very low	49.3	Very low	148 Å²	148	112.5 Å²	112.5	64%	0.643	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-73.8	-17.7	-178.2	-62.3	169.2	-169.3	161.5	0	114	E215 G216	E215-K218 WeakPolarHBondContact O-CD 3.43Å; E215-K218 IonicContact OE1-NZ 4Å; E215-K218 PolarHBondContact OE1-NZ 3.27Å; G216-K218 PolarHBondContact O-N 3.11Å
219	L	38.8	Very low	47.1	Very low	143 Å²	143	110.8 Å²	110.8	75%	0.749	61%	0.609	S	S	*	*	S	Bend	trans	-104.9	-29.5	-168	-65.5	178	0	0	0	116	G216 E217 A221 S222	G216-L219 PolarHBondContact O-N 3.04Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.95Å; L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 3.22Å; L219-S222 WeakPolarHBondContact O-CB 3.49Å; L219-S222 PolarHBondContact O-OG 2.96Å
220	S	32.9	Very low	44.9	Very low	108 Å²	108	118.6 Å²	118.6	76%	0.755	64%	0.639	S	S	*	*	S	Bend	trans	-75.9	-12.3	-178.8	51.2	0	0	0	0	114.3	S222	S220-S222 VanDerWaalsContact C-N 3.3Å; S220-S222 PolarHBondContact O-N 3.29Å
221	A	33.1	Very low	42.3	Very low	66 Å²	66	122.9 Å²	122.9	55%	0.545	67%	0.667	S	S	.	*	S	Bend	trans	-90.7	33.1	179.2	0	0	0	0	0	113.9	L219 K225	L219-A221 VanDerWaalsContact C-N 3.3Å; L219-A221 PolarHBondContact O-N 3.22Å; A221-K225 WeakPolarHBondContact O-CE 3.48Å; A221-K225 PolarHBondContact O-NZ 3.04Å
222	S	34.1	Very low	40	Very low	71 Å²	71	122.8 Å²	122.8	50%	0.497	67%	0.666	S	S	.	*			trans	-106.8	-37.2	-168.5	50.2	0	0	0	0	114.6	L219 S220 L224	L219-S222 WeakPolarHBondContact O-CB 3.49Å; L219-S222 PolarHBondContact O-OG 2.96Å; S220-S222 VanDerWaalsContact C-N 3.3Å; S220-S222 PolarHBondContact O-N 3.29Å; S222-L224 PolarHBondContact O-N 3.39Å
223	T	34.7	Very low	37.9	Very low	128 Å²	128	128.6 Å²	128.6	79%	0.785	70%	0.697	S	S	*	*	S	Bend	trans	-89.7	10.3	-164.1	-25.9	0	0	0	0	116.7
224	L	40.4	Very low	36	Very low	172 Å²	172	126.8 Å²	126.8	90%	0.901	70%	0.696	S	S	*	*			trans	-135.8	80.4	169.6	-76.6	179.9	0	0	0	111.4	S222	S222-L224 PolarHBondContact O-N 3.39Å
225	K	31.1	Very low	35	Very low	161 Å²	161	130.9 Å²	130.9	70%	0.7	72%	0.723	S	S	*	*			trans	-138.1	69.3	178.4	-77.2	175.6	175.1	150.4	0	113	A221	A221-K225 WeakPolarHBondContact O-CE 3.48Å; A221-K225 PolarHBondContact O-NZ 3.04Å
226	I	32.8	Very low	33.8	Very low	171 Å²	171	131.8 Å²	131.8	88%	0.877	73%	0.73	S	S	*	*	S	Bend	trans	-71.2	142.9	153.4	-63.2	178.7	0	0	0	107.7	A228	I226-A228 PolarHBondContact O-N 3.35Å; I226-A228 VanDerWaalsContact O-N 3.11Å
227	K	41.4	Very low	33	Very low	212 Å²	212	138 Å²	138	92%	0.922	76%	0.757	S	S	*	*	S	Bend	trans	-54.7	109.8	-158.3	-70.5	176.6	177.8	173.4	0	114.7
228	A	25.1	Very low	32.5	Very low	91 Å²	91	136.4 Å²	136.4	75%	0.752	76%	0.758	S	S	*	*			trans	-139.3	113.8	161.9	0	0	0	0	0	110.1	I226	I226-A228 PolarHBondContact O-N 3.35Å; I226-A228 VanDerWaalsContact O-N 3.11Å
229	S	30.3	Very low	31.9	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-82.5	121.5	-176.5	42.5	0	0	0	0	112.3
230	K	29.7	Very low	31.7	Very low	201 Å²	201	138.7 Å²	138.7	87%	0.874	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-81.2	140.1	163.9	-84.3	-173.4	173	-178	0	110
231	P	26.7	Very low	32	Very low	104 Å²	104	136.7 Å²	136.7	68%	0.675	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-76.3	158.4	173.8	32.7	-35.2	0	0	0	112
232	T	26	Very low	31.7	Very low	99 Å²	99	141.6 Å²	141.6	61%	0.607	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-75.3	148.2	173.9	51.4	0	0	0	0	112.8
233	L	29.2	Very low	31.7	Very low	170 Å²	170	149.5 Å²	149.5	89%	0.89	81%	0.808	S	S	*	*			trans	-111	134.7	167.8	-66.5	172.2	0	0	0	109
234	D	26.8	Very low	31.5	Very low	138 Å²	138	153.1 Å²	153.1	74%	0.738	81%	0.812	S	S	*	*			trans	-148.6	158.2	170.8	-71.2	-67.4	0	0	0	106.4
235	P	37.6	Very low	31.3	Very low	115 Å²	115	156.7 Å²	156.7	75%	0.747	81%	0.814	S	S	*	*				-123.7	159.3	-50.3	37.2	-25.4	0	0	0	111.4
236	I	29.1	Very low	31.5	Very low	164 Å²	164	152.7 Å²	152.7	84%	0.841	81%	0.811	S	S	*	*			trans	-78	131.7	171.9	-66.2	175.7	0	0	0	109.6	T238	I236-T238 PolarHBondContact O-N 3.01Å
237	I	30.2	Very low	31.9	Very low	155 Å²	155	150.8 Å²	150.8	80%	0.795	81%	0.813	S	S	*	*			trans	-68.6	115.9	-179.9	-61.6	173.3	0	0	0	110.1
238	T	30.3	Very low	32.4	Very low	125 Å²	125	148.2 Å²	148.2	77%	0.767	80%	0.797	S	S	*	*			trans	-83.6	121.2	167.8	54.2	0	0	0	0	110.2	I236 E240	I236-T238 PolarHBondContact O-N 3.01Å; T238-E240 PolarHBondContact O-N 3.44Å
239	V	29.3	Very low	34.2	Very low	138 Å²	138	148.7 Å²	148.7	84%	0.836	79%	0.787	S	S	*	*			trans	-62.1	124.1	170.6	178.7	0	0	0	0	109.5	G241	V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.46Å
240	E	34.1	Very low	35.4	Very low	202 Å²	202	147.9 Å²	147.9	94%	0.944	78%	0.779	S	S	*	*	S	Bend	trans	-77.6	75.1	-174	-168.1	162.8	-153.8	0	0	111.7	T238	T238-E240 PolarHBondContact O-N 3.44Å
241	G	39	Very low	36.7	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	76%	0.764	S	S	*	*			trans	-134.1	11.9	-168.6	0	0	0	0	0	116.6	V239	V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.46Å
242	L	28.5	Very low	38.3	Very low	169 Å²	169	142.3 Å²	142.3	89%	0.885	75%	0.753	S	S	*	*	S	Bend	trans	-129.7	136.6	-177.9	-154.2	67.8	0	0	0	114.1	K244	L242-K244 PolarHBondContact O-N 2.89Å
243	R	32.8	Very low	39.9	Very low	237 Å²	237	140 Å²	140	89%	0.894	74%	0.741	S	S	*	*			trans	-71.4	94.4	-165.1	-59.6	174.4	-174.1	153	1.7	113.5	R245	R243-R245 PolarHBondContact O-N 2.89Å
244	K	31.1	Very low	41.3	Very low	203 Å²	203	134.7 Å²	134.7	88%	0.883	72%	0.722	S	S	*	*			trans	-67	116.8	157.9	-76.1	-177.3	178.1	174.7	0	109.4	L242 A246	L242-K244 PolarHBondContact O-N 2.89Å; K244-A246 VanDerWaalsContact C-N 3.29Å; K244-A246 PolarHBondContact O-N 3.07Å
245	R	35.7	Very low	43.1	Very low	248 Å²	248	133.8 Å²	133.8	94%	0.936	71%	0.714	S	S	*	*			trans	-79.4	74.6	173.2	-81.7	-170.2	-97	179.2	-6.4	111	R243	R243-R245 PolarHBondContact O-N 2.89Å
246	A	35.7	Very low	44.6	Very low	77 Å²	77	131.6 Å²	131.6	64%	0.636	69%	0.694	S	S	*	*			trans	-78.4	144.9	154.7	0	0	0	0	0	109	K244 R248	K244-A246 VanDerWaalsContact C-N 3.29Å; K244-A246 PolarHBondContact O-N 3.07Å; A246-R248 PolarHBondContact O-N 3.44Å
247	S	41.8	Very low	46.4	Very low	130 Å²	130	128.5 Å²	128.5	91%	0.909	68%	0.679	S	S	*	*			trans	-73.6	87.6	179.6	51	0	0	0	0	111.4
248	R	50.8	Low	48.6	Very low	159 Å²	159	128.9 Å²	128.9	60%	0.6	68%	0.675	S	S	*	*			trans	-77.8	152.4	173.5	-75.3	-170.2	174.5	177.5	-3.5	112.4	A246 E256	A246-R248 PolarHBondContact O-N 3.44Å; R248-E256 IonicContact NH1-OE2 2.83Å
249	N	62.7	Low	50.6	Low	101 Å²	101	127.5 Å²	127.5	54%	0.54	66%	0.66	S	S	.	*			trans	-67.2	130.7	178.2	-176.1	-22.5	0	0	0	110.5	V251 E252 S253	N249-V251 PolarHBondContact O-N 3Å; N249-V251 VanDerWaalsContact O-N 3.1Å; N249-V251 PolarHBondContact OD1-N 3.02Å; N249-E252 WeakPolarHBondContact O-CB 3.42Å; N249-E252 PolarHBondContact O-N 3.49Å; N249-S253 PolarHBondContact O-N 2.86Å
250	P	56.8	Low	52.8	Low	104 Å²	104	126.5 Å²	126.5	68%	0.675	64%	0.644	S	S	*	*	H	α-helix	trans	-52.3	-34	-179.1	-30.3	36.2	0	0	0	115.1	E252 S253 A254	P250-E252 VanDerWaalsContact C-N 3.34Å; P250-E252 PolarHBondContact O-N 3Å; P250-S253 PolarHBondContact O-N 2.86Å; P250-A254 PolarHBondContact O-N 3.07Å
251	V	56.3	Low	54.5	Low	94 Å²	94	125.1 Å²	125.1	57%	0.57	63%	0.63	S	S	*	*	H	α-helix	trans	-64	-39	-180	-176.2	0	0	0	0	111.8	N249 A254 M255	N249-V251 PolarHBondContact O-N 3Å; N249-V251 VanDerWaalsContact O-N 3.1Å; N249-V251 PolarHBondContact OD1-N 3.02Å; V251-A254 PolarHBondContact O-N 2.65Å; V251-M255 HydrophobicContact CG1-CE 4.47Å; V251-M255 WeakPolarHBondContact O-CG 3.45Å; V251-M255 PolarHBondContact O-N 3.49Å; V251-M255 VanDerWaalsContact O-N 3.08Å
252	E	60	Low	56.1	Low	95 Å²	95	125.5 Å²	125.5	44%	0.444	62%	0.622	S	S	.	*	H	α-helix	trans	-68.1	-41.2	179.7	-168.2	176.6	-127.3	0	0	111	N249 P250 A254 M255 E256	N249-E252 WeakPolarHBondContact O-CB 3.42Å; N249-E252 PolarHBondContact O-N 3.49Å; P250-E252 VanDerWaalsContact C-N 3.34Å; P250-E252 PolarHBondContact O-N 3Å; E252-A254 VanDerWaalsContact C-N 3.32Å; E252-A254 PolarHBondContact O-N 3.28Å; E252-M255 PolarHBondContact O-N 2.93Å; E252-E256 PolarHBondContact O-N 3.29Å
253	S	61.1	Low	57.9	Low	50 Å²	50	124.8 Å²	124.8	35%	0.35	61%	0.608	S	S	.	*	H	α-helix	trans	-66.6	-33.2	175.4	-60.6	0	0	0	0	112.4	N249 P250 L257	N249-S253 PolarHBondContact O-N 2.86Å; P250-S253 PolarHBondContact O-N 2.86Å; S253-L257 WeakPolarHBondContact O-CB 3.49Å; S253-L257 PolarHBondContact O-N 2.85Å
254	A	57.9	Low	59.9	Low	59 Å²	59	117.4 Å²	117.4	49%	0.488	59%	0.59	S	S	.	*	H	α-helix	trans	-68.9	-37.6	174.7	0	0	0	0	0	112.5	P250 V251 E252 K258	P250-A254 PolarHBondContact O-N 3.07Å; V251-A254 PolarHBondContact O-N 2.65Å; E252-A254 VanDerWaalsContact C-N 3.32Å; E252-A254 PolarHBondContact O-N 3.28Å; A254-K258 PolarHBondContact O-N 3.28Å
255	M	64.4	Low	61.9	Low	118 Å²	118	112 Å²	112	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-66	-46.7	173	-69.3	-172.3	-65.6	0	0	111.4	V251 E252 L257 K258 E259	V251-M255 HydrophobicContact CG1-CE 4.47Å; V251-M255 WeakPolarHBondContact O-CG 3.45Å; V251-M255 PolarHBondContact O-N 3.49Å; V251-M255 VanDerWaalsContact O-N 3.08Å; E252-M255 PolarHBondContact O-N 2.93Å; M255-L257 VanDerWaalsContact C-N 3.27Å; M255-L257 PolarHBondContact O-N 2.84Å; M255-K258 PolarHBondContact O-N 3.42Å; M255-E259 PolarHBondContact O-N 3.18Å
256	E	69.5	Low	63.5	Low	70 Å²	70	105.5 Å²	105.5	33%	0.327	55%	0.548	S	S	.	.	H	α-helix	trans	-58.8	-38.1	176.8	-159	-168.7	128.5	0	0	111.9	R248 E252 K260	R248-E256 IonicContact NH1-OE2 2.83Å; E252-E256 PolarHBondContact O-N 3.29Å; E256-K260 HydrophobicContact CG-CD 4.36Å; E256-K260 WeakPolarHBondContact O-CB 3.4Å; E256-K260 VanDerWaalsContact O-CG 3.3Å; E256-K260 WeakPolarHBondContact O-CG 3.24Å; E256-K260 PolarHBondContact O-N 3.37Å; E256-K260 WeakPolarHBondContact OE1-CE 3.48Å; E256-K260 IonicContact OE1-NZ 3.77Å; E256-K260 PolarHBondContact OE1-NZ 3.32Å
257	L	66.3	Low	65.1	Low	99 Å²	99	104 Å²	104	52%	0.518	54%	0.535	S	S	.	.	H	α-helix	trans	-73	-24.1	174.7	-87	165.8	0	0	0	114.6	S253 M255 R261	S253-L257 WeakPolarHBondContact O-CB 3.49Å; S253-L257 PolarHBondContact O-N 2.85Å; M255-L257 VanDerWaalsContact C-N 3.27Å; M255-L257 PolarHBondContact O-N 2.84Å; L257-R261 PolarHBondContact O-N 2.96Å; L257-R261 PolarHBondContact O-NE 3.22Å
258	K	76.6	Confident	66.8	Low	162 Å²	162	103.9 Å²	103.9	70%	0.704	52%	0.518	S	S	*	.	H	α-helix	trans	-78.6	-45.6	172.9	-171.8	-179.7	179.2	-175.1	0	110.2	A254 M255 R261 S262	A254-K258 PolarHBondContact O-N 3.28Å; M255-K258 PolarHBondContact O-N 3.42Å; K258-R261 PolarHBondContact O-N 2.93Å; K258-S262 PolarHBondContact O-N 3.38Å
259	E	71.4	Confident	67.9	Low	97 Å²	97	99.7 Å²	99.7	45%	0.453	51%	0.508	S	S	.	.	H	α-helix	trans	-61.6	-46.8	177.2	-171.3	-176.7	178	0	0	111.8	M255 R261 S262 R263	M255-E259 PolarHBondContact O-N 3.18Å; E259-R261 VanDerWaalsContact C-N 3.3Å; E259-R261 PolarHBondContact O-N 3.43Å; E259-S262 VanDerWaalsContact O-CB 3.31Å; E259-S262 WeakPolarHBondContact O-CB 3.49Å; E259-S262 PolarHBondContact O-N 2.94Å; E259-S262 VanDerWaalsContact O-N 3.08Å; E259-R263 PolarHBondContact O-N 3.32Å; E259-R263 IonicContact OE1-CZ 3.78Å; E259-R263 IonicContact OE1-NE 2.9Å; E259-R263 PolarHBondContact OE1-NE 3Å; E259-R263 IonicContact OE1-NH2 3.44Å; E259-R263 PolarHBondContact OE1-NH2 3.19Å
260	K	75.9	Confident	68.6	Low	117 Å²	117	99 Å²	99	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-39	175.9	-77.2	172.4	174.3	175.1	0	112.5	E256 T264	E256-K260 HydrophobicContact CG-CD 4.36Å; E256-K260 WeakPolarHBondContact O-CB 3.4Å; E256-K260 VanDerWaalsContact O-CG 3.3Å; E256-K260 WeakPolarHBondContact O-CG 3.24Å; E256-K260 PolarHBondContact O-N 3.37Å; E256-K260 WeakPolarHBondContact OE1-CE 3.48Å; E256-K260 IonicContact OE1-NZ 3.77Å; E256-K260 PolarHBondContact OE1-NZ 3.32Å; K260-T264 WeakPolarHBondContact O-CG2 3.2Å; K260-T264 PolarHBondContact O-N 3.19Å; K260-T264 PolarHBondContact O-OG1 3.18Å
261	R	71.3	Confident	69.8	Low	172 Å²	172	102.8 Å²	102.8	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-65.4	-41.8	172.6	-94.1	-176.9	-84.3	-164.2	-7.4	112.5	L257 K258 E259 T264 Q265	L257-R261 PolarHBondContact O-N 2.96Å; L257-R261 PolarHBondContact O-NE 3.22Å; K258-R261 PolarHBondContact O-N 2.93Å; E259-R261 VanDerWaalsContact C-N 3.3Å; E259-R261 PolarHBondContact O-N 3.43Å; R261-T264 WeakPolarHBondContact CA-OG1 3.35Å; R261-T264 PolarHBondContact O-N 2.83Å; R261-T264 PolarHBondContact O-OG1 3.38Å; R261-Q265 PolarHBondContact O-N 3.13Å
262	S	70.9	Confident	70.9	Confident	74 Å²	74	105.4 Å²	105.4	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-56.5	-53.8	176.4	-156.3	0	0	0	0	111.6	K258 E259 T264 Q265 E266	K258-S262 PolarHBondContact O-N 3.38Å; E259-S262 VanDerWaalsContact O-CB 3.31Å; E259-S262 WeakPolarHBondContact O-CB 3.49Å; E259-S262 PolarHBondContact O-N 2.94Å; E259-S262 VanDerWaalsContact O-N 3.08Å; S262-T264 VanDerWaalsContact C-N 3.28Å; S262-T264 PolarHBondContact O-N 3.41Å; S262-Q265 WeakPolarHBondContact O-CB 3.28Å; S262-Q265 PolarHBondContact O-N 2.89Å; S262-E266 WeakPolarHBondContact O-CB 3.14Å; S262-E266 PolarHBondContact O-N 3.37Å
263	R	67.6	Low	71.6	Confident	154 Å²	154	103.5 Å²	103.5	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-60.3	-35.1	179.3	-63.9	-179.9	-174	-146.6	6.3	112.5	E259 Q265 A267	E259-R263 PolarHBondContact O-N 3.32Å; E259-R263 IonicContact OE1-CZ 3.78Å; E259-R263 IonicContact OE1-NE 2.9Å; E259-R263 PolarHBondContact OE1-NE 3Å; E259-R263 IonicContact OE1-NH2 3.44Å; E259-R263 PolarHBondContact OE1-NH2 3.19Å; R263-Q265 VanDerWaalsContact C-N 3.32Å; R263-A267 WeakPolarHBondContact O-CB 3.28Å; R263-A267 PolarHBondContact O-N 3.22Å; R263-A267 VanDerWaalsContact O-N 3.14Å
264	T	74.6	Confident	72.2	Confident	83 Å²	83	107.1 Å²	107.1	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-76.8	-14	175.1	58	0	0	0	0	114.8	K260 R261 S262 K268	K260-T264 WeakPolarHBondContact O-CG2 3.2Å; K260-T264 PolarHBondContact O-N 3.19Å; K260-T264 PolarHBondContact O-OG1 3.18Å; R261-T264 WeakPolarHBondContact CA-OG1 3.35Å; R261-T264 PolarHBondContact O-N 2.83Å; R261-T264 PolarHBondContact O-OG1 3.38Å; S262-T264 VanDerWaalsContact C-N 3.28Å; S262-T264 PolarHBondContact O-N 3.41Å; T264-K268 WeakPolarHBondContact O-CG 3.46Å
265	Q	71.8	Confident	73	Confident	89 Å²	89	112.4 Å²	112.4	42%	0.416	53%	0.527	S	S	.	.	H	α-helix	trans	-89.3	-48.8	174.6	-177.2	55.1	40	0	0	109.8	R261 S262 R263 A267 K268 D269	R261-Q265 PolarHBondContact O-N 3.13Å; S262-Q265 WeakPolarHBondContact O-CB 3.28Å; S262-Q265 PolarHBondContact O-N 2.89Å; R263-Q265 VanDerWaalsContact C-N 3.32Å; Q265-A267 VanDerWaalsContact C-N 3.31Å; Q265-A267 PolarHBondContact O-N 3.25Å; Q265-K268 WeakPolarHBondContact O-CA 3.17Å; Q265-K268 WeakPolarHBondContact O-CB 3.39Å; Q265-K268 PolarHBondContact O-N 2.84Å; Q265-D269 WeakPolarHBondContact CG-OD2 3.24Å; Q265-D269 PolarHBondContact NE2-OD1 3.33Å; Q265-D269 PolarHBondContact NE2-OD2 2.88Å; Q265-D269 PolarHBondContact O-N 3.31Å
266	E	69.6	Low	73.4	Confident	112 Å²	112	112.3 Å²	112.3	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-48.3	-48.7	170	-177.2	177.5	-164.1	0	0	112.2	S262 K268 D269 I270	S262-E266 WeakPolarHBondContact O-CB 3.14Å; S262-E266 PolarHBondContact O-N 3.37Å; E266-K268 PolarHBondContact O-N 2.79Å; E266-D269 PolarHBondContact O-N 2.6Å; E266-I270 HydrophobicContact CG-CD1 4.12Å; E266-I270 VanDerWaalsContact O-CG1 3.31Å; E266-I270 WeakPolarHBondContact O-CG1 3.45Å; E266-I270 PolarHBondContact O-N 2.82Å
267	A	70.8	Confident	73.2	Confident	46 Å²	46	112 Å²	112	38%	0.38	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-14.4	176.3	0	0	0	0	0	115.2	R263 Q265 R271	R263-A267 WeakPolarHBondContact O-CB 3.28Å; R263-A267 PolarHBondContact O-N 3.22Å; R263-A267 VanDerWaalsContact O-N 3.14Å; Q265-A267 VanDerWaalsContact C-N 3.31Å; Q265-A267 PolarHBondContact O-N 3.25Å; A267-R271 WeakPolarHBondContact O-CD 3.36Å; A267-R271 WeakPolarHBondContact O-CG 3.44Å
268	K	77.2	Confident	73	Confident	127 Å²	127	110.7 Å²	110.7	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-89.7	-40	170.2	-69.7	172.7	-178.2	178.9	0	111.3	T264 Q265 E266 R271 R272	T264-K268 WeakPolarHBondContact O-CG 3.46Å; Q265-K268 WeakPolarHBondContact O-CA 3.17Å; Q265-K268 WeakPolarHBondContact O-CB 3.39Å; Q265-K268 PolarHBondContact O-N 2.84Å; E266-K268 PolarHBondContact O-N 2.79Å; K268-R271 PolarHBondContact O-N 3.25Å; K268-R271 VanDerWaalsContact O-N 3.17Å; K268-R272 PolarHBondContact O-N 2.79Å
269	D	72.9	Confident	71.5	Confident	70 Å²	70	106.1 Å²	106.1	37%	0.374	54%	0.537	S	S	.	.	H	α-helix	trans	-71.8	-32.7	-177.6	-61.9	-33.5	0	0	0	111.3	Q265 E266 R272 A273	Q265-D269 WeakPolarHBondContact CG-OD2 3.24Å; Q265-D269 PolarHBondContact NE2-OD1 3.33Å; Q265-D269 PolarHBondContact NE2-OD2 2.88Å; Q265-D269 PolarHBondContact O-N 3.31Å; E266-D269 PolarHBondContact O-N 2.6Å; D269-R272 WeakPolarHBondContact O-CB 3.29Å; D269-R272 PolarHBondContact O-N 2.86Å; D269-A273 WeakPolarHBondContact O-CB 3.21Å; D269-A273 PolarHBondContact O-N 3.27Å
270	I	78.6	Confident	70.3	Confident	87 Å²	87	110.2 Å²	110.2	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-59.3	-46.2	166.4	-68.5	165	0	0	0	111.3	E266 R272 A273 Q274	E266-I270 HydrophobicContact CG-CD1 4.12Å; E266-I270 VanDerWaalsContact O-CG1 3.31Å; E266-I270 WeakPolarHBondContact O-CG1 3.45Å; E266-I270 PolarHBondContact O-N 2.82Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.07Å; I270-A273 PolarHBondContact O-N 3.37Å; I270-Q274 WeakPolarHBondContact O-CB 3.48Å; I270-Q274 WeakPolarHBondContact O-CG 3.48Å; I270-Q274 PolarHBondContact O-N 3.09Å
271	R	80.8	Confident	68.7	Low	183 Å²	183	112.1 Å²	112.1	69%	0.691	57%	0.569	S	S	*	*	H	α-helix	trans	-68.4	-32	179.1	-72.2	175	177.6	171.7	-1.3	112.8	A267 K268 K275	A267-R271 WeakPolarHBondContact O-CD 3.36Å; A267-R271 WeakPolarHBondContact O-CG 3.44Å; K268-R271 PolarHBondContact O-N 3.25Å; K268-R271 VanDerWaalsContact O-N 3.17Å; R271-K275 PolarHBondContact O-N 2.84Å; R271-K275 VanDerWaalsContact O-N 3.15Å
272	R	80.3	Confident	67.1	Low	150 Å²	150	111.7 Å²	111.7	57%	0.566	58%	0.58	S	S	*	*	H	α-helix	trans	-62.3	-54.9	169.8	171.7	-171.5	-72.2	-80.1	4.8	110.1	K268 D269 I270 Q274 K275 E276	K268-R272 PolarHBondContact O-N 2.79Å; D269-R272 WeakPolarHBondContact O-CB 3.29Å; D269-R272 PolarHBondContact O-N 2.86Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.07Å; R272-Q274 VanDerWaalsContact C-N 3.3Å; R272-Q274 PolarHBondContact O-N 2.77Å; R272-K275 PolarHBondContact O-N 3.24Å; R272-E276 WeakPolarHBondContact CD-OE1 3.4Å; R272-E276 HydrophobicContact CG-CG 4.37Å; R272-E276 WeakPolarHBondContact CG-OE1 3.38Å; R272-E276 IonicContact NH1-OE1 3.11Å; R272-E276 PolarHBondContact NH1-OE1 2.62Å; R272-E276 VanDerWaalsContact NH1-OE1 3.11Å; R272-E276 WeakPolarHBondContact O-CG 3.49Å; R272-E276 PolarHBondContact O-N 3.39Å
273	A	73.8	Confident	65.6	Low	55 Å²	55	119 Å²	119	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-59.2	-39.6	-179.4	0	0	0	0	0	112.4	D269 I270 K275 E276 A277	D269-A273 WeakPolarHBondContact O-CB 3.21Å; D269-A273 PolarHBondContact O-N 3.27Å; I270-A273 PolarHBondContact O-N 3.37Å; A273-K275 PolarHBondContact O-N 3.12Å; A273-E276 PolarHBondContact O-N 3.49Å; A273-A277 VanDerWaalsContact O-CB 3.31Å; A273-A277 WeakPolarHBondContact O-CB 3Å; A273-A277 PolarHBondContact O-N 2.86Å
274	Q	75	Confident	63.9	Low	125 Å²	125	117.2 Å²	117.2	58%	0.584	61%	0.607	S	S	*	*	H	α-helix	trans	-61.9	-40.2	173.5	-74.6	172.3	-27.8	0	0	112.7	I270 R272 A278	I270-Q274 WeakPolarHBondContact O-CB 3.48Å; I270-Q274 WeakPolarHBondContact O-CG 3.48Å; I270-Q274 PolarHBondContact O-N 3.09Å; R272-Q274 VanDerWaalsContact C-N 3.3Å; R272-Q274 PolarHBondContact O-N 2.77Å; Q274-A278 PolarHBondContact O-N 3.05Å; Q274-A278 VanDerWaalsContact O-N 3.13Å
275	K	74	Confident	61.7	Low	170 Å²	170	120.3 Å²	120.3	74%	0.739	63%	0.626	S	S	*	*	H	α-helix	trans	-71.9	-36	176.5	-173	173	-179	177.2	0	112.6	R271 R272 A273 G279	R271-K275 PolarHBondContact O-N 2.84Å; R271-K275 VanDerWaalsContact O-N 3.15Å; R272-K275 PolarHBondContact O-N 3.24Å; A273-K275 PolarHBondContact O-N 3.12Å; K275-G279 PolarHBondContact O-N 3.38Å
276	E	71.9	Confident	59.7	Low	117 Å²	117	122.2 Å²	122.2	55%	0.547	65%	0.649	S	S	.	*	H	α-helix	trans	-71.1	-37.3	177.2	-72.5	164.8	-173.8	0	0	111	R272 A273 G279	R272-E276 WeakPolarHBondContact CD-OE1 3.4Å; R272-E276 HydrophobicContact CG-CG 4.37Å; R272-E276 WeakPolarHBondContact CG-OE1 3.38Å; R272-E276 IonicContact NH1-OE1 3.11Å; R272-E276 PolarHBondContact NH1-OE1 2.62Å; R272-E276 VanDerWaalsContact NH1-OE1 3.11Å; R272-E276 WeakPolarHBondContact O-CG 3.49Å; R272-E276 PolarHBondContact O-N 3.39Å; A273-E276 PolarHBondContact O-N 3.49Å; E276-G279 PolarHBondContact O-N 3.29Å
277	A	66.9	Low	58	Low	64 Å²	64	121.4 Å²	121.4	53%	0.529	66%	0.656	S	S	.	*	H	α-helix	trans	-66.1	-40.7	173	0	0	0	0	0	113.2	A273 G279 F280	A273-A277 VanDerWaalsContact O-CB 3.31Å; A273-A277 WeakPolarHBondContact O-CB 3Å; A273-A277 PolarHBondContact O-N 2.86Å; A277-G279 PolarHBondContact O-N 2.9Å; A277-F280 PolarHBondContact O-N 2.98Å
278	A	61.5	Low	56.2	Low	70 Å²	70	125.3 Å²	125.3	58%	0.579	68%	0.675	S	S	*	*	H	α-helix	trans	-61.6	-29.7	176.9	0	0	0	0	0	112.9	Q274 F280	Q274-A278 PolarHBondContact O-N 3.05Å; Q274-A278 VanDerWaalsContact O-N 3.13Å; A278-F280 VanDerWaalsContact C-N 3.26Å; A278-F280 PolarHBondContact O-N 3.18Å
279	G	44.7	Very low	54.3	Low	66 Å²	66	125.4 Å²	125.4	68%	0.68	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-2.1	179.1	0	0	0	0	0	115.8	K275 E276 A277	K275-G279 PolarHBondContact O-N 3.38Å; E276-G279 PolarHBondContact O-N 3.29Å; A277-G279 PolarHBondContact O-N 2.9Å
280	F	45.6	Very low	52.2	Low	183 Å²	183	127.9 Å²	127.9	80%	0.803	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-14.5	-175.7	-160.2	-98.1	0	0	0	114.3	A277 A278	A277-F280 PolarHBondContact O-N 2.98Å; A278-F280 VanDerWaalsContact C-N 3.26Å; A278-F280 PolarHBondContact O-N 3.18Å
281	L	43.8	Very low	49.8	Very low	157 Å²	157	132.2 Å²	132.2	82%	0.822	72%	0.722	S	S	*	*	S	Bend	trans	-81.3	-22.2	-175.9	-80.7	160.2	0	0	0	114.1	R283	L281-R283 VanDerWaalsContact C-N 3.26Å; L281-R283 PolarHBondContact O-N 3.05Å; L281-R283 VanDerWaalsContact O-N 3.17Å
282	D	37	Very low	47.1	Very low	164 Å²	164	131.8 Å²	131.8	88%	0.877	73%	0.725	S	S	*	*	S	Bend	trans	-84	16.4	-169.4	-117.8	-5.2	0	0	0	114.8
283	R	39.6	Very low	44.4	Very low	226 Å²	226	132.1 Å²	132.1	85%	0.853	74%	0.737	S	S	*	*	S	Bend	trans	-154.3	72.7	-175.4	-162.4	173.8	-179.8	147.6	2.2	115.7	L281	L281-R283 VanDerWaalsContact C-N 3.26Å; L281-R283 PolarHBondContact O-N 3.05Å; L281-R283 VanDerWaalsContact O-N 3.17Å
284	S	32.1	Very low	42.1	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	75%	0.747	S	S	*	*			trans	179.8	97	139.4	-81.7	0	0	0	0	114.7
285	T	28.7	Very low	39.7	Very low	149 Å²	149	139.9 Å²	139.9	91%	0.914	76%	0.764	S	S	*	*			trans	-157.8	102.8	148.3	43.6	0	0	0	0	111.5
286	S	28.2	Very low	37.4	Very low	129 Å²	129	135.4 Å²	135.4	90%	0.902	77%	0.766	S	S	*	*			trans	-166.7	155.1	153	-169.9	0	0	0	0	108.6
287	S	33.8	Very low	35.1	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	78%	0.783	S	S	*	*			trans	-144.4	153.6	-140.8	49.2	0	0	0	0	117.7
288	T	32.9	Very low	33.5	Very low	128 Å²	128	149.2 Å²	149.2	79%	0.785	80%	0.799	S	S	*	*			trans	69.4	167	152.1	42.3	0	0	0	0	117.2
289	P	38.6	Very low	32.5	Very low	129 Å²	129	150.6 Å²	150.6	84%	0.838	80%	0.802	S	S	*	*			cis	-131.6	-162.5	15.6	43	-24	0	0	0	117.6
290	V	28.7	Very low	31.5	Very low	122 Å²	122	153.9 Å²	153.9	74%	0.739	80%	0.804	S	S	*	*			trans	-102.9	149.9	-155.1	177.2	0	0	0	0	113.4
291	K	28.5	Very low	30.7	Very low	178 Å²	178	150.3 Å²	150.3	77%	0.774	80%	0.797	S	S	*	*				175.1	128.6	129.3	-95.9	167	-177.9	175.2	0	118.5
292	F	23.9	Very low	29.8	Very low	174 Å²	174	150.4 Å²	150.4	76%	0.763	80%	0.797	S	S	*	*			trans	76.4	140.7	132.8	-83.4	-49.7	0	0	0	127.2
293	I	22.6	Very low	29.6	Very low	157 Å²	157	149.6 Å²	149.6	81%	0.805	79%	0.792	S	S	*	*			trans	87.1	154.4	143.4	-72.9	163.1	0	0	0	119.1
294	S	25.4	Very low	29.2	Very low	97 Å²	97	145.3 Å²	145.3	68%	0.678	78%	0.781	S	S	*	*			trans	-150.3	175.7	-156.1	63	0	0	0	0	113.7
295	R	25.8	Very low	29.1	Very low	245 Å²	245	148 Å²	148	93%	0.925	78%	0.778	S	S	*	*			trans	79.9	135.2	167.9	-60.8	178.7	169.1	-173.5	-3	119.1
296	G	24.3	Very low	29.1	Very low	76 Å²	76	144 Å²	144	78%	0.784	77%	0.767	S	S	*	*			trans	119.3	136.8	160.5	0	0	0	0	0	113.9
297	R	23.9	Very low	29.1	Very low	244 Å²	244	147 Å²	147	92%	0.921	77%	0.767	S	S	*	*			cis	-153.5	150.6	-1.6	-155.4	-179.4	-70.6	-143.4	-1.7	111.5
298	R	33.4	Very low	28.8	Very low	228 Å²	228	148.7 Å²	148.7	86%	0.86	77%	0.773	S	S	*	*			trans	-74	-169.4	162.1	-117.2	-169.4	-164.7	176.7	4.7	109.6
299	P	41.5	Very low	28.8	Very low	99 Å²	99	149.7 Å²	149.7	64%	0.643	77%	0.772	S	S	*	*			cis	-131.6	-139.8	17.3	35.7	-9.5	0	0	0	111.1
300	D	23.7	Very low	28.3	Very low	134 Å²	134	150.2 Å²	150.2	72%	0.717	77%	0.768	S	S	*	*			cis	-167.1	169.9	-3.3	-126.8	-20.1	0	0	0	107.7
301	V	27.8	Very low	28	Very low	109 Å²	109	152.9 Å²	152.9	66%	0.661	77%	0.77	S	S	*	*			cis	-142.3	177.4	-12.6	-148.5	0	0	0	0	106
302	I	26.1	Very low	27.8	Very low	159 Å²	159	148.8 Å²	148.8	82%	0.815	76%	0.764	S	S	*	*			trans	165.1	165.8	130.6	-87.5	169.6	0	0	0	111.8
303	L	32.1	Very low	28.1	Very low	146 Å²	146	145.8 Å²	145.8	76%	0.764	76%	0.764	S	S	*	*			trans	-110.9	-173.8	-178.1	-54.9	89.7	0	0	0	110.8
304	E	31.6	Very low	28.3	Very low	136 Å²	136	146.4 Å²	146.4	64%	0.636	77%	0.768	S	S	*	*			cis	-166.1	165.6	20.4	-146.6	-157.4	158.7	0	0	113.1
305	K	30.4	Very low	28.3	Very low	173 Å²	173	146.3 Å²	146.3	75%	0.752	77%	0.768	S	S	*	*			trans	63.5	140.7	163.9	-67.7	170.7	168.3	69.4	0	118.8
306	G	27.7	Very low	28.4	Very low	67 Å²	67	139 Å²	139	69%	0.691	75%	0.754	S	S	*	*			cis	154.7	145	-13.1	0	0	0	0	0	114.8
307	E	27.9	Very low	28.7	Very low	192 Å²	192	140.1 Å²	140.1	90%	0.897	75%	0.75	S	S	*	*			trans	64.3	144.6	145.1	-76.6	-178.8	168.7	0	0	120.8
308	V	27.3	Very low	29.2	Very low	130 Å²	130	135.5 Å²	135.5	79%	0.788	74%	0.744	S	S	*	*			cis	-140.6	176.6	-14.4	-153	0	0	0	0	108.7
309	I	34.6	Very low	29	Very low	149 Å²	149	135.4 Å²	135.4	76%	0.764	74%	0.743	S	S	*	*			trans	-97.4	150.5	175.3	-26.8	174.9	0	0	0	110.5
310	D	26.4	Very low	28.6	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	75%	0.75	S	S	*	*				-176.1	145.2	128.1	-104.9	10.1	0	0	0	118.2
311	F	23.1	Very low	29.6	Very low	177 Å²	177	135.9 Å²	135.9	78%	0.776	75%	0.751	S	S	*	*			trans	24.4	126.4	146.8	-76.4	-104.9	0	0	0	125.5
312	S	24.8	Very low	29.6	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	76%	0.757	S	S	*	*				74.3	113.6	124.5	-68.3	0	0	0	0	124.7
313	S	30.1	Very low	29.8	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	75%	0.754	S	S	*	*				64.7	112	120.1	-52.1	0	0	0	0	121.5
314	L	26.3	Very low	30.1	Very low	170 Å²	170	134.2 Å²	134.2	89%	0.89	75%	0.753	S	S	*	*				-168.6	138.9	128.9	-105.2	172.2	0	0	0	113.6
315	S	25.4	Very low	31.3	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	76%	0.761	S	S	*	*			trans	60.6	121.6	142.4	-147.3	0	0	0	0	124.8
316	S	28.8	Very low	31.5	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	76%	0.76	S	S	*	*			trans	62.8	121.8	130.2	64.9	0	0	0	0	124.3
317	S	30.9	Very low	32.8	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	77%	0.766	S	S	*	*			trans	47.7	143.6	135.1	60.2	0	0	0	0	121.3
318	D	32.7	Very low	33.1	Very low	148 Å²	148	129.1 Å²	129.1	79%	0.791	76%	0.759	S	S	*	*			cis	-160.8	157.8	-4.5	-94.8	-30	0	0	0	106.1
319	R	30.6	Very low	34.5	Very low	226 Å²	226	128.4 Å²	128.4	85%	0.853	76%	0.757	S	S	*	*				-156.4	124	52.2	-82.4	-177.1	161.4	171.8	-5.8	114.2
320	T	33.4	Very low	34.1	Very low	127 Å²	127	126.2 Å²	126.2	78%	0.779	76%	0.755	S	S	*	*			trans	61.3	111.3	140	54.4	0	0	0	0	122
321	P	42.9	Very low	34.3	Very low	115 Å²	115	127 Å²	127	75%	0.747	76%	0.758	S	S	*	*			trans	-95.1	-170.2	171.6	40.4	-33.1	0	0	0	112.6
322	L	28.2	Very low	34.4	Very low	150 Å²	150	125 Å²	125	79%	0.785	76%	0.756	S	S	*	*			cis	-133.2	173.5	23.1	-69.7	163.3	0	0	0	111.7
323	T	30.9	Very low	34.6	Very low	123 Å²	123	130.2 Å²	130.2	76%	0.755	77%	0.767	S	S	*	*			cis	88.1	139.9	19.9	-26.7	0	0	0	0	117.3
324	S	39	Very low	34.7	Very low	107 Å²	107	130 Å²	130	75%	0.748	77%	0.766	S	S	*	*			trans	-94.1	-170	173.6	59.5	0	0	0	0	111.3
325	P	56.3	Low	35	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	76%	0.758	S	S	*	*			cis	-136.4	-150.8	0.1	42.3	-20.2	0	0	0	114.2
326	S	33.3	Very low	35.7	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	77%	0.766	S	S	*	*			trans	-65.6	171.8	168.1	-38	0	0	0	0	113.4
327	P	56.6	Low	35.9	Very low	124 Å²	124	127.1 Å²	127.1	81%	0.805	78%	0.775	S	S	*	*			cis	-139.3	-152.7	14.5	43.3	-21.3	0	0	0	115.9
328	S	33.4	Very low	35.8	Very low	109 Å²	109	129 Å²	129	76%	0.762	78%	0.782	S	S	*	*			trans	-63.5	177.2	-177.8	-31.8	0	0	0	0	116.3
329	P	56.2	Low	36.3	Very low	114 Å²	114	128 Å²	128	74%	0.74	78%	0.783	S	S	*	*			cis	-144.1	-177.4	6.8	43.8	-24.2	0	0	0	119.1
330	S	26.1	Very low	36.2	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	78%	0.778	S	S	*	*			trans	84.5	130.2	143.4	67	0	0	0	0	125.3
331	L	30.8	Very low	36.2	Very low	155 Å²	155	119.8 Å²	119.8	81%	0.812	77%	0.771	S	S	*	*			trans	90.9	141.6	141.2	-80.3	164.8	0	0	0	124.8
332	D	26.1	Very low	35.7	Very low	135 Å²	135	122 Å²	122	72%	0.722	77%	0.772	S	S	*	*			trans	52.5	113.9	165.9	-64.8	-18.7	0	0	0	123.4
333	F	28.8	Very low	35.7	Very low	204 Å²	204	120 Å²	120	90%	0.895	77%	0.77	S	S	*	*				-157.7	144.4	103.1	-128.5	-94.6	0	0	0	114.8
334	S	31.3	Very low	35.7	Very low	105 Å²	105	118.6 Å²	118.6	73%	0.734	77%	0.771	S	S	*	*			trans	-53	162.1	169.8	-61.9	0	0	0	0	115.5
335	A	32.6	Very low	36	Very low	88 Å²	88	119.9 Å²	119.9	73%	0.727	77%	0.774	S	S	*	*			cis	-174.1	-144.8	-10.7	0	0	0	0	0	108.1
336	P	41.6	Very low	35	Very low	131 Å²	131	119.9 Å²	119.9	85%	0.851	77%	0.774	S	S	*	*				-109.2	170.5	-78.3	36.3	-26	0	0	0	114.3
337	G	31.3	Very low	35.4	Very low	79 Å²	79	120.4 Å²	120.4	81%	0.814	78%	0.778	S	S	*	*			trans	-179.3	21.7	175.7	0	0	0	0	0	120.1
338	T	30.7	Very low	34.4	Very low	138 Å²	138	121.9 Å²	121.9	85%	0.847	78%	0.778	S	S	*	*			trans	-80.1	168.7	171.7	32.6	0	0	0	0	112.1
339	P	41.4	Very low	34.3	Very low	125 Å²	125	123.3 Å²	123.3	81%	0.812	78%	0.777	S	S	*	*			cis	-122.2	-176.8	14.2	45.7	-32	0	0	0	113.1
340	A	29.9	Very low	33.5	Very low	91 Å²	91	122.5 Å²	122.5	75%	0.752	77%	0.774	S	S	*	*			cis	-147.5	-173	7.2	0	0	0	0	0	108.6
341	S	32.2	Very low	34	Very low	90 Å²	90	127.1 Å²	127.1	63%	0.629	78%	0.784	S	S	*	*			cis	-158.8	-174.4	0.8	-159.3	0	0	0	0	110
342	H	32.6	Very low	34.3	Very low	163 Å²	163	123.4 Å²	123.4	76%	0.755	78%	0.776	S	S	*	*			trans	49.9	75.3	157.3	-58.8	-55.6	0	0	0	119.5
343	S	29.5	Very low	34.9	Very low	108 Å²	108	121.9 Å²	121.9	76%	0.755	77%	0.767	S	S	*	*				10.4	139.1	119.1	57.9	0	0	0	0	118.8
344	A	30.8	Very low	35.2	Very low	93 Å²	93	119.7 Å²	119.7	77%	0.769	76%	0.764	S	S	*	*			cis	-163.5	164.4	0.8	0	0	0	0	0	112.3
345	T	44.7	Very low	35.4	Very low	134 Å²	134	121 Å²	121	82%	0.822	76%	0.761	S	S	*	*			trans	-111.6	158	152.6	57.9	0	0	0	0	108.4
346	P	35	Very low	35.5	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	77%	0.766	S	S	*	*				-143.2	167.5	94.5	39.1	-25.6	0	0	0	114.3
347	S	42.3	Very low	35	Very low	118 Å²	118	123.3 Å²	123.3	83%	0.825	76%	0.761	S	S	*	*			trans	-79.6	119.5	169.2	-52.1	0	0	0	0	111.4
348	L	34.6	Very low	35.2	Very low	156 Å²	156	125.7 Å²	125.7	82%	0.817	76%	0.76	S	S	*	*			trans	-157.3	120.7	153	-78.7	-172.8	0	0	0	108.7
349	L	31.6	Very low	35.3	Very low	139 Å²	139	126.9 Å²	126.9	73%	0.728	76%	0.758	S	S	*	*			trans	-157	161.2	132.8	-79.3	-165	0	0	0	107.8	D353	L349-D353 VanDerWaalsContact CB-OD2 3.23Å; L349-D353 WeakPolarHBondContact CB-OD2 3.36Å; L349-D353 WeakPolarHBondContact CD1-OD1 3.39Å; L349-D353 WeakPolarHBondContact CD1-OD2 3.48Å
350	S	39.3	Very low	34.9	Very low	97 Å²	97	126 Å²	126	68%	0.678	75%	0.752	S	S	*	*			trans	-120.8	-167.1	-161.8	-60.1	0	0	0	0	112.1	A352	S350-A352 PolarHBondContact O-N 2.71Å
351	E	36.2	Very low	35.1	Very low	201 Å²	201	127.3 Å²	127.3	94%	0.939	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	30.9	-179.2	-155.2	171	179.4	0	0	114.9
352	A	38.8	Very low	34.9	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-16.7	-176.9	0	0	0	0	0	114.1	S350 L354	S350-A352 PolarHBondContact O-N 2.71Å; A352-L354 PolarHBondContact O-N 3.38Å; A352-L354 VanDerWaalsContact O-N 3.12Å
353	D	37.8	Very low	34.9	Very low	103 Å²	103	128.1 Å²	128.1	55%	0.551	76%	0.761	S	S	*	*			trans	-79.2	11.2	-174.3	-64.1	-14.1	0	0	0	114.6	L349	L349-D353 VanDerWaalsContact CB-OD2 3.23Å; L349-D353 WeakPolarHBondContact CB-OD2 3.36Å; L349-D353 WeakPolarHBondContact CD1-OD1 3.39Å; L349-D353 WeakPolarHBondContact CD1-OD2 3.48Å
354	L	35.4	Very low	34.9	Very low	157 Å²	157	129.9 Å²	129.9	82%	0.822	76%	0.761	S	S	*	*			trans	-104	38.8	-172.5	-67.9	-178.6	0	0	0	114.2	A352	A352-L354 PolarHBondContact O-N 3.38Å; A352-L354 VanDerWaalsContact O-N 3.12Å
355	I	35.4	Very low	34.9	Very low	133 Å²	133	133.7 Å²	133.7	68%	0.682	76%	0.761	S	S	*	*			trans	-132.7	111.7	169	-51.9	178.7	0	0	0	110.6
356	P	34.3	Very low	34.2	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	76%	0.761	S	S	*	*			trans	-91.3	126.8	152.3	-8.3	27.4	0	0	0	109.8
357	D	31.9	Very low	34.1	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	76%	0.759	S	S	*	*			trans	-70	174.6	-176.9	-69.6	-66.9	0	0	0	115.3
358	V	34.6	Very low	33.6	Very low	130 Å²	130	138.9 Å²	138.9	79%	0.788	76%	0.762	S	S	*	*			trans	81.8	93.7	164	-167.1	0	0	0	0	116.6
359	M	34.2	Very low	33.7	Very low	163 Å²	163	139.4 Å²	139.4	80%	0.803	77%	0.766	S	S	*	*			trans	-120.1	120.4	148.5	-87.3	-173.4	58.6	0	0	110.1
360	P	33	Very low	33.9	Very low	106 Å²	106	142 Å²	142	69%	0.688	77%	0.774	S	S	*	*			trans	-92.2	159.9	160.7	35	-28.8	0	0	0	110.9
361	P	33.4	Very low	33.5	Very low	119 Å²	119	144.3 Å²	144.3	77%	0.773	78%	0.776	S	S	*	*				-107	162.6	-111.5	36.6	-38.4	0	0	0	115.7
362	Q	28.6	Very low	33.3	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	77%	0.77	S	S	*	*			trans	-98.6	130.8	156.1	-64.2	-178.4	-71.1	0	0	108.3
363	A	30.9	Very low	32.8	Very low	84 Å²	84	142.5 Å²	142.5	69%	0.694	77%	0.771	S	S	*	*			trans	-142.4	165	174.7	0	0	0	0	0	108.9
364	L	29.8	Very low	32.4	Very low	144 Å²	144	145.5 Å²	145.5	75%	0.754	79%	0.788	S	S	*	*			trans	70.5	115.9	-169.2	-48.6	174.1	0	0	0	112.1
365	F	30	Very low	32	Very low	173 Å²	173	140.8 Å²	140.8	76%	0.759	78%	0.777	S	S	*	*			cis	-141.2	175	9.6	-66.8	-87.4	0	0	0	111.7
366	H	31.7	Very low	31.8	Very low	178 Å²	178	140.4 Å²	140.4	82%	0.824	78%	0.78	S	S	*	*			trans	94.6	133.6	-160.2	-63.5	67.4	0	0	0	110.5
367	D	33.1	Very low	31.5	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	78%	0.779	S	S	*	*			cis	-116.6	-179.4	8.8	-64	-66.8	0	0	0	113.2
368	D	30.3	Very low	31.3	Very low	166 Å²	166	141.7 Å²	141.7	89%	0.888	78%	0.779	S	S	*	*				-179.6	120.9	129.1	-90.9	-16	0	0	0	109.6
369	D	37.8	Very low	31.5	Very low	168 Å²	168	141 Å²	141	90%	0.898	78%	0.777	S	S	*	*			trans	-153.3	72.8	-173	-149.7	2.6	0	0	0	111.9
370	E	35.7	Very low	31.1	Very low	194 Å²	194	135.4 Å²	135.4	91%	0.907	76%	0.761	S	S	*	*			trans	-152.7	156.4	172.7	-85	-162.7	146.6	0	0	108.2
371	M	31	Very low	30.9	Very low	145 Å²	145	138.6 Å²	138.6	71%	0.714	77%	0.769	S	S	*	*			cis	-171.2	152.9	-15.9	169.1	57	168.8	0	0	107.5
372	E	31.3	Very low	30.5	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	77%	0.772	S	S	*	*			trans	62.2	157.1	176	-75.5	164	-169.2	0	0	117.1
373	G	28.4	Very low	30.7	Very low	64 Å²	64	141.7 Å²	141.7	66%	0.66	77%	0.766	S	S	*	*			cis	-177.1	177.9	-3.8	0	0	0	0	0	111.9
374	D	28.7	Very low	30.6	Very low	167 Å²	167	144.1 Å²	144.1	89%	0.893	77%	0.772	S	S	*	*			trans	66.4	148.2	179.6	-145	41.5	0	0	0	115.8
375	G	27.5	Very low	30.9	Very low	58 Å²	58	141.1 Å²	141.1	60%	0.598	76%	0.761	S	S	*	*			cis	167.4	164.6	-11.6	0	0	0	0	0	113.9
376	V	31.5	Very low	31.9	Very low	124 Å²	124	138.4 Å²	138.4	75%	0.752	76%	0.761	S	S	*	*			trans	79.2	131.7	151.9	-176.7	0	0	0	0	120.6
377	I	27.5	Very low	32.2	Very low	155 Å²	155	135.5 Å²	135.5	80%	0.795	76%	0.758	S	S	*	*			trans	82.4	102.5	168.1	-69	156.1	0	0	0	119.6
378	D	27.6	Very low	32	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	77%	0.767	S	S	*	*			trans	-97.7	152.6	145.4	174.8	50.4	0	0	0	107.9	G380	D378-G380 PolarHBondContact OD1-N 3.06Å; D378-G380 PolarHBondContact OD2-N 3.45Å
379	P	38.3	Very low	31.9	Very low	116 Å²	116	129.6 Å²	129.6	75%	0.753	76%	0.758	S	S	*	*				-147.1	124.5	104.2	34.6	-16.8	0	0	0	115.2
380	G	26.6	Very low	31.5	Very low	45 Å²	45	127.2 Å²	127.2	46%	0.464	75%	0.754	S	S	.	*			trans	-86.8	167.2	160.2	0	0	0	0	0	113.9	D378	D378-G380 PolarHBondContact OD1-N 3.06Å; D378-G380 PolarHBondContact OD2-N 3.45Å
381	M	28.1	Very low	31.2	Very low	172 Å²	172	125.4 Å²	125.4	85%	0.847	76%	0.756	S	S	*	*			trans	180	154.8	155.8	-123.8	74.2	85.3	0	0	107.6
382	E	26.6	Very low	31.2	Very low	181 Å²	181	122.4 Å²	122.4	85%	0.846	75%	0.754	S	S	*	*			cis	-149	175.8	0.9	-160.3	160.2	-145.4	0	0	110.7
383	Y	32.4	Very low	31.2	Very low	189 Å²	189	119.9 Å²	119.9	74%	0.741	76%	0.756	S	S	*	*			trans	-120.6	151.4	-174.4	173.4	-92	0	0	0	110.9	P385	Y383-P385 HydrophobicContact CE1-CB 3.88Å; Y383-P385 HydrophobicContact CE1-CG 3.78Å
384	V	28.7	Very low	31.2	Very low	135 Å²	135	120.5 Å²	120.5	82%	0.818	76%	0.762	S	S	*	*			trans	-164.8	150.3	151.3	128.2	0	0	0	0	111.9
385	P	36.7	Very low	32.1	Very low	81 Å²	81	118.4 Å²	118.4	53%	0.526	76%	0.758	S	S	.	*			trans	-126.4	-142.9	-159.7	51.3	-35.2	0	0	0	112.6	Y383	Y383-P385 HydrophobicContact CE1-CB 3.88Å; Y383-P385 HydrophobicContact CE1-CG 3.78Å
386	P	50.1	Low	32	Very low	116 Å²	116	122.8 Å²	122.8	75%	0.753	77%	0.772	S	S	*	*			trans	-127	-178.4	-138.5	36.6	-13	0	0	0	116.4
387	P	39.1	Very low	31.7	Very low	117 Å²	117	123.2 Å²	123.2	76%	0.76	78%	0.775	S	S	*	*			trans	-139.9	146.3	157.1	37.8	-22.9	0	0	0	116.3
388	A	28.9	Very low	31.5	Very low	112 Å²	112	119.4 Å²	119.4	93%	0.926	77%	0.774	S	S	*	*			trans	58.4	165.6	153.6	0	0	0	0	0	119.6
389	G	28	Very low	31.4	Very low	67 Å²	67	118.5 Å²	118.5	69%	0.691	77%	0.773	S	S	*	*			cis	158	104.2	-12.6	0	0	0	0	0	114.4
390	S	29.2	Very low	30.8	Very low	119 Å²	119	124.3 Å²	124.3	83%	0.832	78%	0.78	S	S	*	*			trans	36.2	128.5	153.2	62.1	0	0	0	0	123
391	V	28.6	Very low	30.7	Very low	156 Å²	156	131.6 Å²	131.6	95%	0.945	80%	0.799	S	S	*	*			trans	-135.7	148.4	139.1	-177	0	0	0	0	108.1
392	A	30.7	Very low	30.5	Very low	81 Å²	81	132.5 Å²	132.5	67%	0.669	80%	0.799	S	S	*	*			trans	-140.7	152	-166.9	0	0	0	0	0	116.5
393	S	31	Very low	30.4	Very low	122 Å²	122	129.4 Å²	129.4	85%	0.853	79%	0.792	S	S	*	*			trans	62.5	134.3	139.2	63.6	0	0	0	0	123.1
394	G	28.3	Very low	30	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	80%	0.8	S	S	*	*			trans	-174.2	105.6	162.4	0	0	0	0	0	112.7
395	P	48.6	Very low	29.9	Very low	123 Å²	123	129 Å²	129	80%	0.799	80%	0.795	S	S	*	*			trans	-125	162.2	-167.7	41.3	-30.8	0	0	0	116.6
396	V	25	Very low	29.7	Very low	150 Å²	150	131.2 Å²	131.2	91%	0.909	81%	0.81	S	S	*	*			trans	-143.2	144.8	158.9	-175.3	0	0	0	0	112.6
397	V	25.1	Very low	28.9	Very low	133 Å²	133	134.5 Å²	134.5	81%	0.806	82%	0.815	S	S	*	*			trans	-77.2	159.3	-178.2	175.6	0	0	0	0	113.6
398	G	24.4	Very low	28.3	Very low	75 Å²	75	137.4 Å²	137.4	77%	0.773	82%	0.819	S	S	*	*			trans	-162.5	5.2	-179.1	0	0	0	0	0	125.2
399	V	24.7	Very low	28.2	Very low	121 Å²	121	139.4 Å²	139.4	73%	0.733	81%	0.812	S	S	*	*			trans	5.9	125.1	166.8	-172.5	0	0	0	0	121
400	R	26	Very low	27.9	Very low	238 Å²	238	144.3 Å²	144.3	90%	0.898	82%	0.815	S	S	*	*			trans	-178	111.5	131.2	-102.2	162.3	-166.9	-160.2	3.8	119
401	K	25.4	Very low	27.6	Very low	199 Å²	199	144.5 Å²	144.5	87%	0.865	80%	0.803	S	S	*	*			trans	40	143.5	131.7	-95.1	178.3	176.9	173.3	0	125.3
402	K	23.6	Very low	27.3	Very low	191 Å²	191	144.6 Å²	144.6	83%	0.83	79%	0.793	S	S	*	*			trans	85	151.5	152.3	-78.5	-163.6	170.7	-174.8	0	119.6
403	V	24.1	Very low	27	Very low	116 Å²	116	145.9 Å²	145.9	70%	0.703	79%	0.792	S	S	*	*			cis	-177.7	140.6	-39	123.2	0	0	0	0	111.6
404	R	24.2	Very low	26.5	Very low	245 Å²	245	148.4 Å²	148.4	93%	0.925	79%	0.79	S	S	*	*			trans	61.1	161	166.9	-78.9	175.5	177.1	-178.2	-2.7	117.2
405	G	25.6	Very low	26.3	Very low	69 Å²	69	150 Å²	150	71%	0.711	79%	0.789	S	S	*	*			cis	-163.1	-176.6	3.8	0	0	0	0	0	114.7
406	P	34	Very low	25.1	Very low	129 Å²	129	152.6 Å²	152.6	84%	0.838	79%	0.79	S	S	*	*			trans	-121.8	-169	-160	44.5	-32.8	0	0	0	115.7
407	E	32.5	Very low	25	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	78%	0.784	S	S	*	*			trans	-81.9	157.4	174.1	-54.6	170.3	115.7	0	0	114.4
408	Q	25.9	Very low	25	Very low	178 Å²	178	155 Å²	155	83%	0.832	78%	0.783	S	S	*	*			trans	-176.5	126.3	154.9	-101.3	164.1	13	0	0	107.9
409	I	27.2	Very low	25	Very low	154 Å²	154	160.1 Å²	160.1	79%	0.79	78%	0.784	S	S	*	*				84.6	122.4	64.7	-70	172.4	0	0	0	115.3
410	K	22.8	Very low	25.5	Very low	169 Å²	169	159.3 Å²	159.3	74%	0.735	78%	0.781	S	S	*	*			trans	-178	132.6	144.5	-101.2	173.4	176.1	-76.1	0	110.4
411	Q	21.4	Very low	25.4	Very low	124 Å²	124	153.7 Å²	153.7	58%	0.579	77%	0.769	S	S	*	*				62.3	136.8	88.5	-58.9	-168.3	-78.5	0	0	114.1
412	E	22.4	Very low	25.5	Very low	158 Å²	158	153.1 Å²	153.1	74%	0.738	76%	0.761	S	S	*	*			cis	-175.3	-179.3	-1.2	-114.9	144.6	-146.9	0	0	108.5
413	V	24.9	Very low	25.6	Very low	108 Å²	108	151 Å²	151	66%	0.655	76%	0.756	S	S	*	*			cis	-162.9	157.2	11.2	80.9	0	0	0	0	113.7
414	E	21.4	Very low	25.8	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.813	76%	0.756	S	S	*	*			trans	40.9	169.9	148.2	-76.9	165.9	169	0	0	128.2
415	S	22.9	Very low	26	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	75%	0.75	S	S	*	*			trans	84.9	128.8	177.6	57.6	0	0	0	0	118.1
416	E	24.2	Very low	26	Very low	178 Å²	178	150.6 Å²	150.6	83%	0.832	75%	0.75	S	S	*	*			cis	80.3	137.4	40.8	-66.7	-173.8	162.7	0	0	114.6
417	E	23	Very low	25.9	Very low	164 Å²	164	149 Å²	149	77%	0.766	74%	0.742	S	S	*	*			cis	-158.4	172.9	-1.7	-138.3	-171	170.1	0	0	113
418	E	24.5	Very low	25.8	Very low	169 Å²	169	148.2 Å²	148.2	79%	0.79	74%	0.739	S	S	*	*			trans	62	-178.3	149.3	-86	-98.5	75.1	0	0	124.4
419	K	24.8	Very low	25.8	Very low	184 Å²	184	146.6 Å²	146.6	80%	0.8	74%	0.736	S	S	*	*			trans	-128.8	-164.5	-166.4	-128.7	177.3	-177.4	177	0	108.6
420	P	34.8	Very low	26	Very low	104 Å²	104	145.5 Å²	145.5	68%	0.675	74%	0.736	S	S	*	*			cis	-134.8	-170.7	-19.9	38.5	-18.1	0	0	0	115.2
421	D	23.4	Very low	26.1	Very low	119 Å²	119	144.4 Å²	144.4	64%	0.636	74%	0.738	S	S	*	*			trans	60.4	120.9	145.2	-91.9	17.4	0	0	0	125.2
422	R	27.8	Very low	26.4	Very low	188 Å²	188	142.2 Å²	142.2	71%	0.709	74%	0.737	S	S	*	*				75.9	134.8	129.9	-69.9	-179.5	-156.3	-141.8	2.8	124
423	M	26.6	Very low	26.6	Very low	146 Å²	146	141 Å²	141	72%	0.719	74%	0.736	S	S	*	*			trans	68.4	149.5	139.4	-67.8	163	163	0	0	116.7
424	D	27.2	Very low	26.6	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	74%	0.743	S	S	*	*			cis	-159.6	177.7	-12.4	-118.5	-31.2	0	0	0	108.2
425	I	28.9	Very low	26.8	Very low	159 Å²	159	138.3 Å²	138.3	82%	0.815	74%	0.736	S	S	*	*			trans	69.7	152.2	157.5	-74.9	155.6	0	0	0	117.5
426	D	26.4	Very low	27.1	Very low	133 Å²	133	139.8 Å²	139.8	71%	0.711	73%	0.734	S	S	*	*			cis	-171.7	164.6	-38.5	-158.9	-4.8	0	0	0	107.5
427	S	31	Very low	27.2	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	73%	0.731	S	S	*	*			trans	61.3	157.8	158.4	71.4	0	0	0	0	119.2
428	E	30.3	Very low	27.5	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	73%	0.728	S	S	*	*			cis	-157.2	145.7	-20.3	-115.9	173	-175.1	0	0	109.5
429	D	26.1	Very low	27.6	Very low	145 Å²	145	140 Å²	140	78%	0.775	73%	0.733	S	S	*	*			trans	40.7	167.7	139.5	-69.2	-0.1	0	0	0	125.9
430	T	30.7	Very low	27.9	Very low	130 Å²	130	136.6 Å²	136.6	80%	0.798	74%	0.739	S	S	*	*			trans	108.3	62	156	-32.5	0	0	0	0	119
431	D	25.5	Very low	27.6	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	75%	0.75	S	S	*	*				58.3	145.7	107.2	-141.2	41.4	0	0	0	124.2
432	S	27.4	Very low	28	Very low	79 Å²	79	146.6 Å²	146.6	55%	0.552	76%	0.762	S	S	*	*			trans	79.2	100.1	147.6	-80.5	0	0	0	0	124.8
433	N	26.3	Very low	28.3	Very low	132 Å²	132	147.1 Å²	147.1	71%	0.706	77%	0.77	S	S	*	*				79.8	131.9	117.7	-75.1	-59.3	0	0	0	125.1
434	T	25.3	Very low	28.4	Very low	131 Å²	131	152.1 Å²	152.1	80%	0.804	78%	0.781	S	S	*	*			trans	67.1	146	144.5	53.2	0	0	0	0	121.3
435	S	26.2	Very low	28.5	Very low	95 Å²	95	155.7 Å²	155.7	66%	0.664	79%	0.79	S	S	*	*			cis	-164	165.2	-17.1	71	0	0	0	0	113.6
436	L	27.8	Very low	28.5	Very low	140 Å²	140	154 Å²	154	73%	0.733	79%	0.789	S	S	*	*			trans	70.3	125.7	148.6	-73.1	172.1	0	0	0	123.6
437	Q	27.5	Very low	28.7	Very low	165 Å²	165	156.6 Å²	156.6	77%	0.771	80%	0.797	S	S	*	*			trans	73.9	147.8	154.1	-57.9	177.4	55.4	0	0	117.2
438	T	28.3	Very low	28.7	Very low	114 Å²	114	159.9 Å²	159.9	70%	0.699	81%	0.806	S	S	*	*			cis	-148.8	152	16	-29.5	0	0	0	0	114
439	R	27.8	Very low	28.7	Very low	238 Å²	238	160.3 Å²	160.3	90%	0.898	81%	0.808	S	S	*	*			trans	7.8	121.5	158.8	-63.5	168.8	-179.2	178	0.3	120.9
440	A	30.3	Very low	29	Very low	111 Å²	111	162.2 Å²	162.2	92%	0.917	81%	0.81	S	S	*	*				-167.8	169.8	128.8	0	0	0	0	0	111.1
441	R	29.7	Very low	29	Very low	242 Å²	242	162.4 Å²	162.4	91%	0.913	81%	0.806	S	S	*	*			trans	-139.2	106.3	-168	179.7	-162.5	-174.3	-171.8	5	113.3
442	E	30.4	Very low	29.6	Very low	191 Å²	191	161.6 Å²	161.6	89%	0.893	81%	0.806	S	S	*	*			trans	-134.1	163.7	167.9	-88.2	-92.9	91.4	0	0	110.3
443	K	34	Very low	30.2	Very low	200 Å²	200	165.1 Å²	165.1	87%	0.87	81%	0.812	S	S	*	*			trans	-103.2	123.6	-162.9	-59.8	166.5	-174.1	162.7	0	113.9
444	R	29.9	Very low	30.8	Very low	251 Å²	251	164.6 Å²	164.6	95%	0.947	82%	0.816	S	S	*	*			trans	-148.9	147	147.3	-105.4	168.6	-171.7	-176.8	1.6	110.1
445	K	29.4	Very low	31.6	Very low	204 Å²	204	167.9 Å²	167.9	89%	0.887	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.5	137.8	174.1	-82.9	-176.7	173.8	179.5	0	109.3
446	P	27.5	Very low	32.2	Very low	124 Å²	124	171.7 Å²	171.7	81%	0.805	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.3	146.7	169.8	29.8	-34.1	0	0	0	110.6
447	Q	30.4	Very low	32.9	Very low	186 Å²	186	169 Å²	169	87%	0.869	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-77.8	126.3	170	-173.1	165.1	-34	0	0	107.8	E449	Q447-E449 PolarHBondContact O-N 3.34Å; Q447-E449 VanDerWaalsContact O-N 3.09Å
448	L	31.6	Very low	33.7	Very low	164 Å²	164	172.5 Å²	172.5	86%	0.859	82%	0.823	S	S	*	*			trans	-72.9	106.2	-177.8	-175.8	71.5	0	0	0	109.4	K450	L448-K450 PolarHBondContact O-N 3.08Å
449	E	29.9	Very low	34.9	Very low	179 Å²	179	176.9 Å²	176.9	84%	0.836	83%	0.828	S	S	*	*			trans	-58.4	129.7	170.3	-67.4	-176.5	123.2	0	0	109.8	Q447 D451	Q447-E449 PolarHBondContact O-N 3.34Å; Q447-E449 VanDerWaalsContact O-N 3.09Å; E449-D451 PolarHBondContact O-N 2.9Å
450	K	32	Very low	36.1	Very low	185 Å²	185	170.1 Å²	170.1	80%	0.804	81%	0.813	S	S	*	*			trans	-80.1	107.1	168.3	-87	-176.2	176.4	174.4	0	108.2	L448 T452	L448-K450 PolarHBondContact O-N 3.08Å; K450-T452 VanDerWaalsContact C-N 3.3Å; K450-T452 PolarHBondContact O-N 3.1Å; K450-T452 PolarHBondContact O-OG1 3.37Å
451	D	31.2	Very low	37.2	Very low	133 Å²	133	169.3 Å²	169.3	71%	0.711	80%	0.799	S	S	*	*			trans	-42.8	91.5	160	-144.5	16.2	0	0	0	109.5	E449 K453	E449-D451 PolarHBondContact O-N 2.9Å; D451-K453 PolarHBondContact O-N 3.37Å; D451-K453 WeakPolarHBondContact OD2-CE 3.47Å; D451-K453 IonicContact OD2-NZ 3.7Å
452	T	39.2	Very low	38.9	Very low	129 Å²	129	161.2 Å²	161.2	79%	0.791	78%	0.776	S	S	*	*			trans	-85.6	64.4	-171.9	-60.4	0	0	0	0	108.5	K450	K450-T452 VanDerWaalsContact C-N 3.3Å; K450-T452 PolarHBondContact O-N 3.1Å; K450-T452 PolarHBondContact O-OG1 3.37Å
453	K	38.6	Very low	40.7	Very low	154 Å²	154	153.1 Å²	153.1	67%	0.67	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56	126.8	175.5	-64.5	-169.8	179.2	-172.3	0	108.5	D451 K455	D451-K453 PolarHBondContact O-N 3.37Å; D451-K453 WeakPolarHBondContact OD2-CE 3.47Å; D451-K453 IonicContact OD2-NZ 3.7Å; K453-K455 PolarHBondContact O-N 3.02Å
454	P	40	Very low	42.4	Very low	121 Å²	121	147.6 Å²	147.6	79%	0.786	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-58.5	130	178.6	24.1	-33	0	0	0	108.6	E456	P454-E456 PolarHBondContact O-N 3.29Å
455	K	41.7	Very low	44.1	Very low	200 Å²	200	137.7 Å²	137.7	87%	0.87	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-64.5	119.2	172.9	-74.8	176	-179.7	167.1	0	107.8	K453	K453-K455 PolarHBondContact O-N 3.02Å
456	E	38.7	Very low	46.3	Very low	175 Å²	175	131.7 Å²	131.7	82%	0.818	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-52.5	131.9	169.1	-65.7	178.7	135.5	0	0	109.4	P454 R458	P454-E456 PolarHBondContact O-N 3.29Å; E456-R458 PolarHBondContact O-N 3.01Å
457	P	42.3	Very low	48.7	Very low	82 Å²	82	126.1 Å²	126.1	53%	0.532	62%	0.621	S	S	.	*			trans	-63	111.4	178.5	23.8	-32.6	0	0	0	109.8	Y459	P457-Y459 VanDerWaalsContact C-N 3.3Å; P457-Y459 HydrophobicContact CB-CE1 4.1Å; P457-Y459 HydrophobicContact CB-CE2 4.2Å; P457-Y459 HydrophobicContact CG-CE1 4.23Å; P457-Y459 HydrophobicContact CG-CE2 3.71Å; P457-Y459 VanDerWaalsContact CG-CZ 3.5Å; P457-Y459 VanDerWaalsContact CG-OH 3.3Å; P457-Y459 WeakPolarHBondContact CG-OH 3.28Å; P457-Y459 VanDerWaalsContact O-CD2 3.25Å; P457-Y459 WeakPolarHBondContact O-CD2 3.36Å; P457-Y459 PolarHBondContact O-N 3.44Å
458	R	45.1	Very low	50.9	Low	239 Å²	239	121.1 Å²	121.1	90%	0.902	60%	0.596	S	S	*	*			trans	-70.8	86.8	172.6	-73.8	-172.6	174.8	-167.5	-2.4	109.8	E456 T460	E456-R458 PolarHBondContact O-N 3.01Å; R458-T460 PolarHBondContact O-N 3.08Å
459	Y	52.6	Low	53.2	Low	206 Å²	206	115.3 Å²	115.3	81%	0.808	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63	118.8	172.8	-58.3	-69.1	0	0	0	110.4	P457	P457-Y459 VanDerWaalsContact C-N 3.3Å; P457-Y459 HydrophobicContact CB-CE1 4.1Å; P457-Y459 HydrophobicContact CB-CE2 4.2Å; P457-Y459 HydrophobicContact CG-CE1 4.23Å; P457-Y459 HydrophobicContact CG-CE2 3.71Å; P457-Y459 VanDerWaalsContact CG-CZ 3.5Å; P457-Y459 VanDerWaalsContact CG-OH 3.3Å; P457-Y459 WeakPolarHBondContact CG-OH 3.28Å; P457-Y459 VanDerWaalsContact O-CD2 3.25Å; P457-Y459 WeakPolarHBondContact O-CD2 3.36Å; P457-Y459 PolarHBondContact O-N 3.44Å
460	T	53	Low	55.7	Low	97 Å²	97	109.7 Å²	109.7	60%	0.595	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-98.1	143.8	171.1	47.5	0	0	0	0	110.4	R458 V462	R458-T460 PolarHBondContact O-N 3.08Å; T460-V462 PolarHBondContact O-N 2.97Å
461	P	54.6	Low	58.2	Low	93 Å²	93	101.2 Å²	101.2	60%	0.604	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-65.2	128.4	175.4	27.5	-34	0	0	0	110.4	A540	P461-A540 HydrophobicContact CG-CB 4.22Å
462	V	65	Low	60.6	Low	73 Å²	73	100 Å²	100	44%	0.442	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-71.9	129.2	178.6	-178.4	0	0	0	0	109.8	T460 E466 E467 L470	T460-V462 PolarHBondContact O-N 2.97Å; V462-E466 HydrophobicContact CG1-CB 3.58Å; V462-E467 HydrophobicContact CG1-CB 4.25Å; V462-L470 HydrophobicContact CG1-CD1 4.11Å
463	S	68.6	Low	62.8	Low	20 Å²	20	101.3 Å²	101.3	14%	0.14	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-69.9	164.5	177.6	68.9	0	0	0	0	112.8	Y465 E466 E467 Y542	S463-Y465 PolarHBondContact O-N 3.32Å; S463-E466 WeakPolarHBondContact CB-OE2 3.45Å; S463-E466 PolarHBondContact N-OE2 2.85Å; S463-E466 PolarHBondContact O-N 3.08Å; S463-E466 WeakPolarHBondContact OG-CB 3.38Å; S463-E466 VanDerWaalsContact OG-CD 3.28Å; S463-E466 VanDerWaalsContact OG-CG 3.28Å; S463-E466 WeakPolarHBondContact OG-CG 3.45Å; S463-E466 PolarHBondContact OG-N 3.3Å; S463-E466 VanDerWaalsContact OG-N 3.13Å; S463-E466 PolarHBondContact OG-OE2 3.05Å; S463-E467 VanDerWaalsContact O-CB 3.3Å; S463-E467 WeakPolarHBondContact O-CB 3.22Å; S463-E467 PolarHBondContact O-N 3.3Å; S463-Y542 WeakPolarHBondContact CB-OH 3.39Å
464	I	69.6	Low	65	Low	84 Å²	84	95.1 Å²	95.1	43%	0.431	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-33.6	175.9	-57	177.7	0	0	0	111	K468	I464-K468 WeakPolarHBondContact O-CG 3.4Å; I464-K468 PolarHBondContact O-N 2.93Å
465	Y	65.3	Low	67.1	Low	43 Å²	43	94 Å²	94	17%	0.169	44%	0.442	C	S	.	.	H	α-helix	trans	-66	-54.1	175.8	-175.5	-106.2	0	0	0	111.6	S463 E467 K468 L469 D761 L766	S463-Y465 PolarHBondContact O-N 3.32Å; Y465-E467 VanDerWaalsContact C-N 3.26Å; Y465-E467 PolarHBondContact O-N 3.1Å; Y465-K468 PolarHBondContact O-N 3.49Å; Y465-L469 HydrophobicContact CE1-CD2 4.02Å; Y465-L469 WeakPolarHBondContact O-CB 3.25Å; Y465-L469 PolarHBondContact O-N 2.83Å; Y465-D761 WeakPolarHBondContact CD2-O 3.21Å; Y465-D761 HydrophobicContact CE1-CB 4.25Å; Y465-D761 WeakPolarHBondContact CE2-O 3.14Å; Y465-D761 VanDerWaalsContact OH-CG 3.31Å; Y465-D761 PolarHBondContact OH-OD2 3.28Å; Y465-L766 HydrophobicContact CD2-CD2 4.39Å; Y465-L766 HydrophobicContact CE2-CD2 3.44Å; Y465-L766 VanDerWaalsContact CE2-CD2 3.44Å; Y465-L766 HydrophobicContact CE2-CG 4.28Å
466	E	74.6	Confident	69.1	Low	78 Å²	78	88.1 Å²	88.1	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-36.1	177.9	-68	159.8	129.9	0	0	111.6	V462 S463 L469 L470	V462-E466 HydrophobicContact CG1-CB 3.58Å; S463-E466 WeakPolarHBondContact CB-OE2 3.45Å; S463-E466 PolarHBondContact N-OE2 2.85Å; S463-E466 PolarHBondContact O-N 3.08Å; S463-E466 WeakPolarHBondContact OG-CB 3.38Å; S463-E466 VanDerWaalsContact OG-CD 3.28Å; S463-E466 VanDerWaalsContact OG-CG 3.28Å; S463-E466 WeakPolarHBondContact OG-CG 3.45Å; S463-E466 PolarHBondContact OG-N 3.3Å; S463-E466 VanDerWaalsContact OG-N 3.13Å; S463-E466 PolarHBondContact OG-OE2 3.05Å; E466-L469 PolarHBondContact O-N 2.92Å; E466-L470 VanDerWaalsContact O-CB 3.28Å; E466-L470 WeakPolarHBondContact O-CB 3.34Å; E466-L470 WeakPolarHBondContact O-CD1 3.4Å; E466-L470 WeakPolarHBondContact O-CG 3.49Å; E466-L470 PolarHBondContact O-N 3.43Å
467	E	78.9	Confident	71.1	Confident	7 Å²	7	83 Å²	83	3%	0.033	41%	0.414	C	S	.	.	H	α-helix	trans	-63.9	-43.9	177.8	-159.7	-178.7	103.7	0	0	111.9	V462 S463 Y465 L471 L494 R497 R501	V462-E467 HydrophobicContact CG1-CB 4.25Å; S463-E467 VanDerWaalsContact O-CB 3.3Å; S463-E467 WeakPolarHBondContact O-CB 3.22Å; S463-E467 PolarHBondContact O-N 3.3Å; Y465-E467 VanDerWaalsContact C-N 3.26Å; Y465-E467 PolarHBondContact O-N 3.1Å; E467-L471 PolarHBondContact O-N 3.23Å; E467-L494 HydrophobicContact CB-CD2 4.47Å; E467-L494 HydrophobicContact CG-CD2 3.27Å; E467-R497 WeakPolarHBondContact OE1-CB 3.38Å; E467-R497 WeakPolarHBondContact OE1-CD 3.42Å; E467-R497 WeakPolarHBondContact OE2-CD 3.17Å; E467-R497 IonicContact OE2-CZ 2.79Å; E467-R497 IonicContact OE2-NE 2.87Å; E467-R497 IonicContact OE2-NH1 3.86Å; E467-R497 PolarHBondContact OE2-NH1 3.09Å; E467-R501 IonicContact OE1-CZ 3.37Å; E467-R501 VanDerWaalsContact OE1-CZ 3.28Å; E467-R501 IonicContact OE1-NH1 2.71Å; E467-R501 PolarHBondContact OE1-NH1 2.78Å; E467-R501 IonicContact OE1-NH2 3.56Å; E467-R501 PolarHBondContact OE1-NH2 3.48Å; E467-R501 IonicContact OE2-NH2 3.79Å; E467-R501 PolarHBondContact OE2-NH2 2.77Å
468	K	76.9	Confident	72.8	Confident	81 Å²	81	83.3 Å²	83.3	35%	0.352	42%	0.416	S	S	.	.	H	α-helix	trans	-68.1	-41.3	173.7	-69	-175.4	170.5	-166	0	112.1	I464 Y465 L471 K472 L766	I464-K468 WeakPolarHBondContact O-CG 3.4Å; I464-K468 PolarHBondContact O-N 2.93Å; Y465-K468 PolarHBondContact O-N 3.49Å; K468-L471 WeakPolarHBondContact O-CB 3.48Å; K468-L471 PolarHBondContact O-N 3.15Å; K468-K472 PolarHBondContact O-N 3.35Å; K468-L766 HydrophobicContact CB-CD1 3.47Å; K468-L766 VanDerWaalsContact CB-CD1 3.47Å; K468-L766 HydrophobicContact CB-CG 4.4Å; K468-L766 HydrophobicContact CD-CD1 4.25Å
469	L	79.3	Confident	74.3	Confident	43 Å²	43	74.2 Å²	74.2	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-64.8	-39.4	179.2	-179.7	61.1	0	0	0	111.9	Y465 E466 L471 K472 R473	Y465-L469 HydrophobicContact CE1-CD2 4.02Å; Y465-L469 WeakPolarHBondContact O-CB 3.25Å; Y465-L469 PolarHBondContact O-N 2.83Å; E466-L469 PolarHBondContact O-N 2.92Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L469-K472 PolarHBondContact O-N 3.33Å; L469-R473 VanDerWaalsContact O-CG 3.32Å; L469-R473 WeakPolarHBondContact O-CG 3.36Å; L469-R473 PolarHBondContact O-N 2.65Å
470	L	82.9	Confident	75.3	Confident	60 Å²	60	67.4 Å²	67.4	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-41.4	171.8	-76.8	166.8	0	0	0	111.5	V462 E466 R473 L474 L494	V462-L470 HydrophobicContact CG1-CD1 4.11Å; E466-L470 VanDerWaalsContact O-CB 3.28Å; E466-L470 WeakPolarHBondContact O-CB 3.34Å; E466-L470 WeakPolarHBondContact O-CD1 3.4Å; E466-L470 WeakPolarHBondContact O-CG 3.49Å; E466-L470 PolarHBondContact O-N 3.43Å; L470-R473 PolarHBondContact O-N 3.1Å; L470-L474 WeakPolarHBondContact O-CB 3.42Å; L470-L474 WeakPolarHBondContact O-CD1 3.31Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.3Å; L470-L474 PolarHBondContact O-N 3.06Å; L470-L494 HydrophobicContact CB-CD1 4.03Å
471	L	83.8	Confident	76.5	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-48	175.8	-179.8	54.8	0	0	0	111.5	E467 K468 L469 R473 L474 E475 K491 L494 I495	E467-L471 PolarHBondContact O-N 3.23Å; K468-L471 WeakPolarHBondContact O-CB 3.48Å; K468-L471 PolarHBondContact O-N 3.15Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L471-R473 VanDerWaalsContact C-N 3.3Å; L471-R473 PolarHBondContact O-N 3.42Å; L471-L474 CarbonylContact O-C 3.59Å; L471-L474 WeakPolarHBondContact O-CA 3.23Å; L471-L474 PolarHBondContact O-N 2.89Å; L471-E475 HydrophobicContact CD1-CG 4.34Å; L471-E475 WeakPolarHBondContact CD1-OE1 3.4Å; L471-E475 WeakPolarHBondContact O-CG 3.36Å; L471-E475 PolarHBondContact O-N 3.35Å; L471-K491 HydrophobicContact CD1-CG 3.85Å; L471-L494 HydrophobicContact CB-CB 4.18Å; L471-L494 HydrophobicContact CB-CD1 4.05Å; L471-L494 HydrophobicContact CD1-CB 4.28Å; L471-L494 HydrophobicContact CD2-CB 4.43Å; L471-I495 HydrophobicContact CD1-CD1 4.24Å; L471-I495 HydrophobicContact CD1-CG1 3.74Å; L471-I495 HydrophobicContact CD2-CG1 4.03Å
472	K	82.3	Confident	77.6	Confident	108 Å²	108	62 Å²	62	47%	0.47	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-39	176.9	-165.7	168.5	-176.1	173.2	0	112	K468 L469 E475 A476 L766	K468-K472 PolarHBondContact O-N 3.35Å; L469-K472 PolarHBondContact O-N 3.33Å; K472-E475 PolarHBondContact O-N 2.86Å; K472-A476 PolarHBondContact O-N 3.45Å; K472-L766 HydrophobicContact CD-CD1 4.23Å; K472-L766 PolarHBondContact NZ-O 3.28Å; K472-L766 VanDerWaalsContact NZ-O 3.11Å
473	R	84.4	Confident	78.3	Confident	156 Å²	156	66 Å²	66	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-66.1	-38.3	172.5	-72.2	173.2	179.5	-178.3	0.6	112.9	L469 L470 L471 E475 C477	L469-R473 VanDerWaalsContact O-CG 3.32Å; L469-R473 WeakPolarHBondContact O-CG 3.36Å; L469-R473 PolarHBondContact O-N 2.65Å; L470-R473 PolarHBondContact O-N 3.1Å; L471-R473 VanDerWaalsContact C-N 3.3Å; L471-R473 PolarHBondContact O-N 3.42Å; R473-E475 PolarHBondContact O-N 2.91Å; R473-C477 PolarHBondContact O-N 2.95Å
474	L	84.7	Confident	79.1	Confident	25 Å²	25	68 Å²	68	13%	0.131	38%	0.381	C	S	.	.	H	α-helix	trans	-76	-5.3	173.8	-67.1	163.1	0	0	0	113.3	L470 L471 V481 A487 L490 K491 L494	L470-L474 WeakPolarHBondContact O-CB 3.42Å; L470-L474 WeakPolarHBondContact O-CD1 3.31Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.3Å; L470-L474 PolarHBondContact O-N 3.06Å; L471-L474 CarbonylContact O-C 3.59Å; L471-L474 WeakPolarHBondContact O-CA 3.23Å; L471-L474 PolarHBondContact O-N 2.89Å; L474-V481 HydrophobicContact CB-CG2 4.12Å; L474-V481 HydrophobicContact CD2-CG2 3.6Å; L474-V481 HydrophobicContact CG-CG2 4.49Å; L474-V481 WeakPolarHBondContact O-CG2 3.32Å; L474-A487 HydrophobicContact CD2-CB 4Å; L474-L490 HydrophobicContact CD1-CB 4.46Å; L474-L490 HydrophobicContact CD1-CD2 3.92Å; L474-L490 HydrophobicContact CD1-CG 3.88Å; L474-K491 HydrophobicContact CB-CB 4.35Å; L474-K491 HydrophobicContact CB-CD 4.24Å; L474-K491 HydrophobicContact CB-CG 4.36Å; L474-K491 HydrophobicContact CD1-CB 4.31Å; L474-K491 PolarHBondContact O-NZ 3.35Å; L474-L494 HydrophobicContact CD1-CD1 3.56Å
475	E	83.8	Confident	79.6	Confident	96 Å²	96	67.2 Å²	67.2	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-97.3	-38.2	171.3	-77	166.5	170.5	0	0	111.7	L471 K472 R473 C477 K491	L471-E475 HydrophobicContact CD1-CG 4.34Å; L471-E475 WeakPolarHBondContact CD1-OE1 3.4Å; L471-E475 WeakPolarHBondContact O-CG 3.36Å; L471-E475 PolarHBondContact O-N 3.35Å; K472-E475 PolarHBondContact O-N 2.86Å; R473-E475 PolarHBondContact O-N 2.91Å; E475-C477 VanDerWaalsContact C-N 3.27Å; E475-C477 PolarHBondContact O-N 2.84Å; E475-K491 VanDerWaalsContact CG-CE 3.46Å
476	A	83.9	Confident	80.3	Confident	78 Å²	78	71.4 Å²	71.4	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-64.4	-25.5	171.7	0	0	0	0	0	114.2	K472 P478	K472-A476 PolarHBondContact O-N 3.45Å; A476-P478 WeakPolarHBondContact O-CD 3.5Å
477	C	81.1	Confident	80.5	Confident	68 Å²	68	68.4 Å²	68.4	46%	0.459	39%	0.391	S	S	.	.			trans	-114.2	61.1	-175.2	-64.1	0	0	0	0	113.9	R473 E475 G479 A480 V481	R473-C477 PolarHBondContact O-N 2.95Å; E475-C477 VanDerWaalsContact C-N 3.27Å; E475-C477 PolarHBondContact O-N 2.84Å; C477-G479 VanDerWaalsContact C-N 3.33Å; C477-G479 PolarHBondContact O-N 2.92Å; C477-A480 HydrophobicContact CB-CB 4.31Å; C477-A480 PolarHBondContact O-N 2.96Å; C477-V481 WeakPolarHBondContact O-CG2 3.45Å; C477-V481 PolarHBondContact O-N 3.4Å
478	P	77.9	Confident	80.6	Confident	88 Å²	88	73.2 Å²	73.2	57%	0.571	41%	0.409	S	S	*	.	H	α-helix	trans	-62	-34.8	-173	25.4	-34.3	0	0	0	113.6	A476 V481 A482	A476-P478 WeakPolarHBondContact O-CD 3.5Å; P478-V481 PolarHBondContact O-N 2.71Å; P478-A482 PolarHBondContact O-N 2.94Å
479	G	77.3	Confident	80.9	Confident	47 Å²	47	78.9 Å²	78.9	49%	0.485	43%	0.428	S	S	.	.	H	α-helix	trans	-64.5	-49.7	177.6	0	0	0	0	0	113.2	C477 V481 A482 M483	C477-G479 VanDerWaalsContact C-N 3.33Å; C477-G479 PolarHBondContact O-N 2.92Å; G479-V481 PolarHBondContact O-N 3.08Å; G479-A482 WeakPolarHBondContact O-CB 3.13Å; G479-A482 PolarHBondContact O-N 3.33Å; G479-A482 VanDerWaalsContact O-N 3.07Å; G479-M483 WeakPolarHBondContact O-CG 3.32Å; G479-M483 PolarHBondContact O-N 3.16Å; G479-M483 VanDerWaalsContact O-N 3.09Å
480	A	72.4	Confident	81.1	Confident	63 Å²	63	80.2 Å²	80.2	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-61.1	-35.8	176.7	0	0	0	0	0	112.2	C477 T484	C477-A480 HydrophobicContact CB-CB 4.31Å; C477-A480 PolarHBondContact O-N 2.96Å; A480-T484 PolarHBondContact O-N 3.21Å; A480-T484 PolarHBondContact O-OG1 3.39Å
481	V	79.7	Confident	81.2	Confident	13 Å²	13	79.4 Å²	79.4	8%	0.079	43%	0.429	C	S	.	.	H	α-helix	trans	-71.5	-33.9	174.1	176.7	0	0	0	0	112.1	L474 C477 P478 G479 A487 R488 K491	L474-V481 HydrophobicContact CB-CG2 4.12Å; L474-V481 HydrophobicContact CD2-CG2 3.6Å; L474-V481 HydrophobicContact CG-CG2 4.49Å; L474-V481 WeakPolarHBondContact O-CG2 3.32Å; C477-V481 WeakPolarHBondContact O-CG2 3.45Å; C477-V481 PolarHBondContact O-N 3.4Å; P478-V481 PolarHBondContact O-N 2.71Å; G479-V481 PolarHBondContact O-N 3.08Å; V481-A487 HydrophobicContact CB-CB 4.5Å; V481-A487 HydrophobicContact CG2-CB 4.14Å; V481-R488 HydrophobicContact CG1-CG 4.03Å; V481-R488 WeakPolarHBondContact O-CD 2.98Å; V481-R488 WeakPolarHBondContact O-CG 3.3Å; V481-K491 HydrophobicContact CG1-CD 4.03Å
482	A	76.6	Confident	81.2	Confident	63 Å²	63	87.6 Å²	87.6	52%	0.521	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-46.5	174.3	0	0	0	0	0	111.4	P478 G479 R488	P478-A482 PolarHBondContact O-N 2.94Å; G479-A482 WeakPolarHBondContact O-CB 3.13Å; G479-A482 PolarHBondContact O-N 3.33Å; G479-A482 VanDerWaalsContact O-N 3.07Å; A482-R488 PolarHBondContact O-NE 3.33Å
483	M	79.2	Confident	81.3	Confident	159 Å²	159	88.1 Å²	88.1	78%	0.783	46%	0.462	S	S	*	.	H	α-helix	trans	-66.2	-40.2	-175.5	-64.9	-63.3	-77	0	0	113.5	G479	G479-M483 WeakPolarHBondContact O-CG 3.32Å; G479-M483 PolarHBondContact O-N 3.16Å; G479-M483 VanDerWaalsContact O-N 3.09Å
484	T	85.4	Confident	81.4	Confident	61 Å²	61	81 Å²	81	37%	0.374	44%	0.435	S	S	.	.			trans	-101.7	119.8	-172	54.1	0	0	0	0	113	A480 E486 A487 R488	A480-T484 PolarHBondContact O-N 3.21Å; A480-T484 PolarHBondContact O-OG1 3.39Å; T484-E486 PolarHBondContact O-N 2.81Å; T484-A487 PolarHBondContact O-N 3.41Å; T484-A487 WeakPolarHBondContact OG1-CB 3.42Å; T484-R488 PolarHBondContact O-N 3.28Å
485	P	80.4	Confident	81.4	Confident	68 Å²	68	83.3 Å²	83.3	44%	0.442	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-28	177.9	21.8	-27.1	0	0	0	113	R488 R489	P485-R488 PolarHBondContact O-N 3.44Å; P485-R489 WeakPolarHBondContact O-CB 3.38Å; P485-R489 PolarHBondContact O-N 3.27Å
486	E	79.9	Confident	81.4	Confident	131 Å²	131	82.9 Å²	82.9	61%	0.612	45%	0.451	S	S	*	.	H	α-helix	trans	-63.4	-47.1	176.2	-67.3	57.9	-122.9	0	0	110.5	T484 R489 L490	T484-E486 PolarHBondContact O-N 2.81Å; E486-R489 PolarHBondContact O-N 2.98Å; E486-L490 WeakPolarHBondContact O-CB 3.34Å; E486-L490 PolarHBondContact O-N 3.02Å
487	A	79.8	Confident	81.3	Confident	15 Å²	15	82.7 Å²	82.7	12%	0.124	43%	0.433	C	S	.	.	H	α-helix	trans	-68.3	-34.5	178.4	0	0	0	0	0	111.8	L474 V481 T484 L490 K491	L474-A487 HydrophobicContact CD2-CB 4Å; V481-A487 HydrophobicContact CB-CB 4.5Å; V481-A487 HydrophobicContact CG2-CB 4.14Å; T484-A487 PolarHBondContact O-N 3.41Å; T484-A487 WeakPolarHBondContact OG1-CB 3.42Å; A487-L490 PolarHBondContact O-N 2.85Å; A487-K491 VanDerWaalsContact O-CB 3.27Å; A487-K491 WeakPolarHBondContact O-CB 3.31Å; A487-K491 PolarHBondContact O-N 3.13Å
488	R	81.6	Confident	81.3	Confident	108 Å²	108	83 Å²	83	41%	0.408	43%	0.428	S	S	.	.	H	α-helix	trans	-63.5	-44.3	170.6	-65.1	-174.7	-87.5	155.5	-3.3	111.8	V481 A482 T484 P485 R492	V481-R488 HydrophobicContact CG1-CG 4.03Å; V481-R488 WeakPolarHBondContact O-CD 2.98Å; V481-R488 WeakPolarHBondContact O-CG 3.3Å; A482-R488 PolarHBondContact O-NE 3.33Å; T484-R488 PolarHBondContact O-N 3.28Å; P485-R488 PolarHBondContact O-N 3.44Å; R488-R492 WeakPolarHBondContact O-CB 3.35Å; R488-R492 VanDerWaalsContact O-CG 3.24Å; R488-R492 WeakPolarHBondContact O-CG 3.47Å; R488-R492 PolarHBondContact O-N 3.28Å
489	R	82.6	Confident	81.4	Confident	199 Å²	199	80.5 Å²	80.5	75%	0.751	42%	0.415	S	S	*	.	H	α-helix	trans	-63.5	-42.7	176.1	-178.7	179	-80	-163.8	-3.2	111	P485 E486 K493	P485-R489 WeakPolarHBondContact O-CB 3.38Å; P485-R489 PolarHBondContact O-N 3.27Å; E486-R489 PolarHBondContact O-N 2.98Å; R489-K493 WeakPolarHBondContact O-CB 3.46Å; R489-K493 PolarHBondContact O-N 3.38Å
490	L	83.9	Confident	81.4	Confident	71 Å²	71	81.6 Å²	81.6	37%	0.372	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-55.4	176.2	-178.7	57.2	0	0	0	111	L474 E486 A487 R492 K493 L494	L474-L490 HydrophobicContact CD1-CB 4.46Å; L474-L490 HydrophobicContact CD1-CD2 3.92Å; L474-L490 HydrophobicContact CD1-CG 3.88Å; E486-L490 WeakPolarHBondContact O-CB 3.34Å; E486-L490 PolarHBondContact O-N 3.02Å; A487-L490 PolarHBondContact O-N 2.85Å; L490-R492 VanDerWaalsContact C-N 3.32Å; L490-R492 PolarHBondContact O-N 2.92Å; L490-K493 CarbonylContact O-C 3.6Å; L490-K493 WeakPolarHBondContact O-CA 3.34Å; L490-K493 WeakPolarHBondContact O-CB 3.4Å; L490-K493 PolarHBondContact O-N 2.97Å; L490-L494 HydrophobicContact CD1-CD1 4.23Å; L490-L494 HydrophobicContact CD1-CD2 4.17Å; L490-L494 HydrophobicContact CD1-CG 4.09Å; L490-L494 HydrophobicContact CG-CD1 4.04Å; L490-L494 HydrophobicContact CG-CG 4.35Å; L490-L494 WeakPolarHBondContact O-CG 3.45Å; L490-L494 PolarHBondContact O-N 3.29Å
491	K	83.9	Confident	81.5	Confident	44 Å²	44	81.8 Å²	81.8	19%	0.191	39%	0.393	C	S	.	.	H	α-helix	trans	-52.7	-47.3	178.4	-174.5	170.6	-173.8	165.5	0	112	L471 L474 E475 V481 A487 K493 L494 I495	L471-K491 HydrophobicContact CD1-CG 3.85Å; L474-K491 HydrophobicContact CB-CB 4.35Å; L474-K491 HydrophobicContact CB-CD 4.24Å; L474-K491 HydrophobicContact CB-CG 4.36Å; L474-K491 HydrophobicContact CD1-CB 4.31Å; L474-K491 PolarHBondContact O-NZ 3.35Å; E475-K491 VanDerWaalsContact CG-CE 3.46Å; V481-K491 HydrophobicContact CG1-CD 4.03Å; A487-K491 VanDerWaalsContact O-CB 3.27Å; A487-K491 WeakPolarHBondContact O-CB 3.31Å; A487-K491 PolarHBondContact O-N 3.13Å; K491-K493 PolarHBondContact O-N 3.36Å; K491-L494 PolarHBondContact O-N 3.11Å; K491-I495 HydrophobicContact CG-CD1 3.87Å; K491-I495 VanDerWaalsContact O-CG1 3.31Å; K491-I495 WeakPolarHBondContact O-CG1 3.34Å; K491-I495 PolarHBondContact O-N 2.98Å
492	R	84.4	Confident	81.1	Confident	178 Å²	178	86.7 Å²	86.7	67%	0.672	42%	0.419	S	S	*	.	H	α-helix	trans	-60.3	-41.4	174.5	-71.6	172.8	-179.9	-174.3	-0.6	112.5	R488 L490 V496	R488-R492 WeakPolarHBondContact O-CB 3.35Å; R488-R492 VanDerWaalsContact O-CG 3.24Å; R488-R492 WeakPolarHBondContact O-CG 3.47Å; R488-R492 PolarHBondContact O-N 3.28Å; L490-R492 VanDerWaalsContact C-N 3.32Å; L490-R492 PolarHBondContact O-N 2.92Å; R492-V496 WeakPolarHBondContact O-CB 3.08Å; R492-V496 VanDerWaalsContact O-CG2 3.28Å; R492-V496 WeakPolarHBondContact O-CG2 3.21Å; R492-V496 PolarHBondContact O-N 3.2Å
493	K	85	Confident	81	Confident	119 Å²	119	92.8 Å²	92.8	52%	0.517	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-39.3	177	-172.9	177.5	-178.6	179.5	0	112.2	R489 L490 K491 R497	R489-K493 WeakPolarHBondContact O-CB 3.46Å; R489-K493 PolarHBondContact O-N 3.38Å; L490-K493 CarbonylContact O-C 3.6Å; L490-K493 WeakPolarHBondContact O-CA 3.34Å; L490-K493 WeakPolarHBondContact O-CB 3.4Å; L490-K493 PolarHBondContact O-N 2.97Å; K491-K493 PolarHBondContact O-N 3.36Å; K493-R497 WeakPolarHBondContact O-CB 3.5Å; K493-R497 VanDerWaalsContact O-CG 3.3Å; K493-R497 WeakPolarHBondContact O-CG 3.36Å; K493-R497 PolarHBondContact O-N 2.96Å; K493-R497 VanDerWaalsContact O-N 3.09Å
494	L	85.9	Confident	80.5	Confident	7 Å²	7	88.6 Å²	88.6	4%	0.037	43%	0.426	C	S	.	.	H	α-helix	trans	-67.3	-49.4	176.3	-57.9	170.3	0	0	0	110.9	E467 L470 L471 L474 L490 K491 V496 R497 Q498	E467-L494 HydrophobicContact CB-CD2 4.47Å; E467-L494 HydrophobicContact CG-CD2 3.27Å; L470-L494 HydrophobicContact CB-CD1 4.03Å; L471-L494 HydrophobicContact CB-CB 4.18Å; L471-L494 HydrophobicContact CB-CD1 4.05Å; L471-L494 HydrophobicContact CD1-CB 4.28Å; L471-L494 HydrophobicContact CD2-CB 4.43Å; L474-L494 HydrophobicContact CD1-CD1 3.56Å; L490-L494 HydrophobicContact CD1-CD1 4.23Å; L490-L494 HydrophobicContact CD1-CD2 4.17Å; L490-L494 HydrophobicContact CD1-CG 4.09Å; L490-L494 HydrophobicContact CG-CD1 4.04Å; L490-L494 HydrophobicContact CG-CG 4.35Å; L490-L494 WeakPolarHBondContact O-CG 3.45Å; L490-L494 PolarHBondContact O-N 3.29Å; K491-L494 PolarHBondContact O-N 3.11Å; L494-V496 VanDerWaalsContact C-N 3.34Å; L494-V496 PolarHBondContact O-N 3.07Å; L494-R497 PolarHBondContact O-N 3.06Å; L494-Q498 PolarHBondContact O-N 3.18Å
495	I	85	Confident	79.7	Confident	74 Å²	74	89.9 Å²	89.9	38%	0.379	43%	0.43	S	S	.	.	H	α-helix	trans	-57	-45.1	176.6	-67.8	166.7	0	0	0	111.3	L471 K491 R497 Q498 A499	L471-I495 HydrophobicContact CD1-CD1 4.24Å; L471-I495 HydrophobicContact CD1-CG1 3.74Å; L471-I495 HydrophobicContact CD2-CG1 4.03Å; K491-I495 HydrophobicContact CG-CD1 3.87Å; K491-I495 VanDerWaalsContact O-CG1 3.31Å; K491-I495 WeakPolarHBondContact O-CG1 3.34Å; K491-I495 PolarHBondContact O-N 2.98Å; I495-R497 VanDerWaalsContact C-N 3.32Å; I495-R497 PolarHBondContact O-N 3.13Å; I495-Q498 PolarHBondContact O-N 3.27Å; I495-A499 WeakPolarHBondContact O-CB 3.25Å; I495-A499 PolarHBondContact O-N 2.58Å
496	V	82.8	Confident	79	Confident	86 Å²	86	91.5 Å²	91.5	52%	0.521	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-33.3	177.4	169.1	0	0	0	0	112.1	R492 L494 K500	R492-V496 WeakPolarHBondContact O-CB 3.08Å; R492-V496 VanDerWaalsContact O-CG2 3.28Å; R492-V496 WeakPolarHBondContact O-CG2 3.21Å; R492-V496 PolarHBondContact O-N 3.2Å; L494-V496 VanDerWaalsContact C-N 3.34Å; L494-V496 PolarHBondContact O-N 3.07Å; V496-K500 WeakPolarHBondContact O-CB 3.35Å; V496-K500 WeakPolarHBondContact O-CG 3.5Å; V496-K500 PolarHBondContact O-N 3.35Å; V496-K500 VanDerWaalsContact O-N 3.08Å
497	R	83	Confident	78.7	Confident	75 Å²	75	88.1 Å²	88.1	28%	0.283	43%	0.427	S	S	.	.	H	α-helix	trans	-73.1	-39.2	174.8	-76.9	-179.2	167.9	-173	-5.5	112.6	E467 K493 L494 I495 K500 R501 L507	E467-R497 WeakPolarHBondContact OE1-CB 3.38Å; E467-R497 WeakPolarHBondContact OE1-CD 3.42Å; E467-R497 WeakPolarHBondContact OE2-CD 3.17Å; E467-R497 IonicContact OE2-CZ 2.79Å; E467-R497 IonicContact OE2-NE 2.87Å; E467-R497 IonicContact OE2-NH1 3.86Å; E467-R497 PolarHBondContact OE2-NH1 3.09Å; K493-R497 WeakPolarHBondContact O-CB 3.5Å; K493-R497 VanDerWaalsContact O-CG 3.3Å; K493-R497 WeakPolarHBondContact O-CG 3.36Å; K493-R497 PolarHBondContact O-N 2.96Å; K493-R497 VanDerWaalsContact O-N 3.09Å; L494-R497 PolarHBondContact O-N 3.06Å; I495-R497 VanDerWaalsContact C-N 3.32Å; I495-R497 PolarHBondContact O-N 3.13Å; R497-K500 PolarHBondContact O-N 3.02Å; R497-R501 WeakPolarHBondContact O-CG 3.42Å; R497-R501 PolarHBondContact O-N 2.96Å; R497-R501 PolarHBondContact O-NH1 3.18Å; R497-L507 HydrophobicContact CB-CD1 4.47Å; R497-L507 HydrophobicContact CB-CD2 4.21Å; R497-L507 HydrophobicContact CG-CD1 4.27Å; R497-L507 HydrophobicContact CG-CD2 4.08Å
498	Q	81.1	Confident	78	Confident	75 Å²	75	94 Å²	94	35%	0.35	45%	0.45	S	S	.	.	H	α-helix	trans	-59.1	-59.1	171.4	178	172.8	3.7	0	0	110.2	L494 I495 K500 R501 D502	L494-Q498 PolarHBondContact O-N 3.18Å; I495-Q498 PolarHBondContact O-N 3.27Å; Q498-K500 CarbonylContact O-C 3.58Å; Q498-K500 PolarHBondContact O-N 3.42Å; Q498-R501 WeakPolarHBondContact O-CA 3.22Å; Q498-R501 PolarHBondContact O-N 3.42Å; Q498-D502 WeakPolarHBondContact CG-OD2 3.38Å; Q498-D502 PolarHBondContact O-N 3.49Å
499	A	78.8	Confident	77.3	Confident	35 Å²	35	92.3 Å²	92.3	29%	0.289	45%	0.449	S	S	.	.	H	α-helix	trans	-59.7	-21.6	179.8	0	0	0	0	0	114.3	I495 R503	I495-A499 WeakPolarHBondContact O-CB 3.25Å; I495-A499 PolarHBondContact O-N 2.58Å; A499-R503 VanDerWaalsContact O-CD 3.28Å; A499-R503 WeakPolarHBondContact O-CD 3.3Å; A499-R503 VanDerWaalsContact O-CG 3.23Å; A499-R503 WeakPolarHBondContact O-CG 3.49Å
500	K	77.6	Confident	76.2	Confident	69 Å²	69	87.6 Å²	87.6	30%	0.3	44%	0.438	S	S	.	.	H	α-helix	trans	-75.3	-47.9	167.8	-84.8	-173	164.8	-152.1	0	112.6	V496 R497 Q498 D502 R503 G504 L505 P506 L507	V496-K500 WeakPolarHBondContact O-CB 3.35Å; V496-K500 WeakPolarHBondContact O-CG 3.5Å; V496-K500 PolarHBondContact O-N 3.35Å; V496-K500 VanDerWaalsContact O-N 3.08Å; R497-K500 PolarHBondContact O-N 3.02Å; Q498-K500 CarbonylContact O-C 3.58Å; Q498-K500 PolarHBondContact O-N 3.42Å; K500-D502 VanDerWaalsContact C-N 3.34Å; K500-D502 PolarHBondContact O-N 2.67Å; K500-R503 CarbonylContact O-C 3.57Å; K500-R503 PolarHBondContact O-N 3.28Å; K500-R503 VanDerWaalsContact O-N 3.16Å; K500-G504 PolarHBondContact O-N 3.19Å; K500-G504 VanDerWaalsContact O-N 3.14Å; K500-L505 HydrophobicContact CB-CB 4.14Å; K500-L505 HydrophobicContact CG-CB 4.08Å; K500-L505 HydrophobicContact CG-CD1 4.42Å; K500-L505 PolarHBondContact O-N 2.95Å; K500-P506 PolarHBondContact NZ-O 2.83Å; K500-L507 HydrophobicContact CB-CD2 3.6Å; K500-L507 HydrophobicContact CD-CD2 3.8Å; K500-L507 HydrophobicContact CG-CD2 4.36Å
501	R	75.8	Confident	75	Confident	68 Å²	68	89.8 Å²	89.8	26%	0.257	45%	0.45	S	S	.	.	H	α-helix	trans	-59.8	-44.1	176.6	-70.7	-171.1	-164.3	86.6	-4.6	111.5	E467 R497 Q498 R503 G504	E467-R501 IonicContact OE1-CZ 3.37Å; E467-R501 VanDerWaalsContact OE1-CZ 3.28Å; E467-R501 IonicContact OE1-NH1 2.71Å; E467-R501 PolarHBondContact OE1-NH1 2.78Å; E467-R501 IonicContact OE1-NH2 3.56Å; E467-R501 PolarHBondContact OE1-NH2 3.48Å; E467-R501 IonicContact OE2-NH2 3.79Å; E467-R501 PolarHBondContact OE2-NH2 2.77Å; R497-R501 WeakPolarHBondContact O-CG 3.42Å; R497-R501 PolarHBondContact O-N 2.96Å; R497-R501 PolarHBondContact O-NH1 3.18Å; Q498-R501 WeakPolarHBondContact O-CA 3.22Å; Q498-R501 PolarHBondContact O-N 3.42Å; R501-R503 PolarHBondContact O-N 2.77Å; R501-R503 VanDerWaalsContact O-N 3.1Å; R501-G504 PolarHBondContact O-N 3.35Å
502	D	71.4	Confident	74.1	Confident	115 Å²	115	94.3 Å²	94.3	62%	0.615	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.3	179.1	-52.6	-23.4	0	0	0	112.6	Q498 K500	Q498-D502 WeakPolarHBondContact CG-OD2 3.38Å; Q498-D502 PolarHBondContact O-N 3.49Å; K500-D502 VanDerWaalsContact C-N 3.34Å; K500-D502 PolarHBondContact O-N 2.67Å
503	R	72.9	Confident	73.4	Confident	191 Å²	191	89.3 Å²	89.3	72%	0.721	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	8.3	177.7	-62.7	176.1	-172.9	-173.7	0.5	113.3	A499 K500 R501 L505	A499-R503 VanDerWaalsContact O-CD 3.28Å; A499-R503 WeakPolarHBondContact O-CD 3.3Å; A499-R503 VanDerWaalsContact O-CG 3.23Å; A499-R503 WeakPolarHBondContact O-CG 3.49Å; K500-R503 CarbonylContact O-C 3.57Å; K500-R503 PolarHBondContact O-N 3.28Å; K500-R503 VanDerWaalsContact O-N 3.16Å; R501-R503 PolarHBondContact O-N 2.77Å; R501-R503 VanDerWaalsContact O-N 3.1Å; R503-L505 HydrophobicContact CB-CD1 4.07Å; R503-L505 HydrophobicContact CB-CG 4Å; R503-L505 PolarHBondContact O-N 3.4Å
504	G	68.6	Low	72.5	Confident	71 Å²	71	86.7 Å²	86.7	73%	0.732	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	15.3	-177.3	0	0	0	0	0	115.2	K500 R501	K500-G504 PolarHBondContact O-N 3.19Å; K500-G504 VanDerWaalsContact O-N 3.14Å; R501-G504 PolarHBondContact O-N 3.35Å
505	L	68.5	Low	71.5	Confident	88 Å²	88	90.8 Å²	90.8	46%	0.461	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-82.6	140.2	-174.5	-65.8	174.7	0	0	0	111.8	K500 R503 L507	K500-L505 HydrophobicContact CB-CB 4.14Å; K500-L505 HydrophobicContact CG-CB 4.08Å; K500-L505 HydrophobicContact CG-CD1 4.42Å; K500-L505 PolarHBondContact O-N 2.95Å; R503-L505 HydrophobicContact CB-CD1 4.07Å; R503-L505 HydrophobicContact CB-CG 4Å; R503-L505 PolarHBondContact O-N 3.4Å; L505-L507 PolarHBondContact O-N 3.25Å
506	P	67.4	Low	70.6	Confident	103 Å²	103	89.8 Å²	89.8	67%	0.669	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-62.5	136.8	178.3	25.1	-33.6	0	0	0	112	K500	K500-P506 PolarHBondContact NZ-O 2.83Å
507	L	72.1	Confident	69.9	Low	59 Å²	59	88 Å²	88	31%	0.309	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-77.2	141.6	168	-57.9	-170.8	0	0	0	108.9	R497 K500 L505 D509	R497-L507 HydrophobicContact CB-CD1 4.47Å; R497-L507 HydrophobicContact CB-CD2 4.21Å; R497-L507 HydrophobicContact CG-CD1 4.27Å; R497-L507 HydrophobicContact CG-CD2 4.08Å; K500-L507 HydrophobicContact CB-CD2 3.6Å; K500-L507 HydrophobicContact CD-CD2 3.8Å; K500-L507 HydrophobicContact CG-CD2 4.36Å; L505-L507 PolarHBondContact O-N 3.25Å; L507-D509 PolarHBondContact O-N 3.29Å
508	F	64.9	Low	69.1	Low	139 Å²	139	89.4 Å²	89.4	61%	0.61	49%	0.486	S	S	*	.			trans	-77.8	113.1	173.3	178.9	-99.6	0	0	0	108.6	L510 V513	F508-L510 HydrophobicContact CE1-CB 3.94Å; F508-L510 HydrophobicContact CE1-CD1 3.94Å; F508-L510 HydrophobicContact CZ-CB 4.49Å; F508-L510 HydrophobicContact CZ-CD1 3.89Å; F508-V513 HydrophobicContact CE2-CG2 4.11Å
509	D	67.4	Low	68.5	Low	73 Å²	73	92.4 Å²	92.4	39%	0.39	50%	0.504	S	S	.	.			trans	-105.4	107.2	174.4	-175.2	-28.7	0	0	0	107.8	L507 D511 Q512 V513	L507-D509 PolarHBondContact O-N 3.29Å; D509-D511 VanDerWaalsContact C-N 3.31Å; D509-D511 PolarHBondContact OD1-N 3.1Å; D509-Q512 HydrophobicContact CB-CB 3.87Å; D509-Q512 PolarHBondContact OD1-N 3.28Å; D509-V513 VanDerWaalsContact O-CG2 3.29Å; D509-V513 WeakPolarHBondContact O-CG2 3.37Å; D509-V513 PolarHBondContact O-N 3.48Å; D509-V513 VanDerWaalsContact O-N 3.12Å
510	L	59.4	Low	67.8	Low	99 Å²	99	97.1 Å²	97.1	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-36.4	-178.5	-177.3	64.7	0	0	0	110.9	F508 V513 V514	F508-L510 HydrophobicContact CE1-CB 3.94Å; F508-L510 HydrophobicContact CE1-CD1 3.94Å; F508-L510 HydrophobicContact CZ-CB 4.49Å; F508-L510 HydrophobicContact CZ-CD1 3.89Å; L510-V513 PolarHBondContact O-N 2.73Å; L510-V514 HydrophobicContact CD1-CG2 4.07Å; L510-V514 HydrophobicContact CG-CG2 4.2Å; L510-V514 WeakPolarHBondContact O-CB 3.4Å; L510-V514 VanDerWaalsContact O-CG2 3.25Å; L510-V514 WeakPolarHBondContact O-CG2 3.03Å; L510-V514 PolarHBondContact O-N 3.44Å
511	D	58.2	Low	66.8	Low	117 Å²	117	98.1 Å²	98.1	63%	0.626	54%	0.536	S	S	*	.	H	α-helix	trans	-72.6	-38.8	-176	-56.3	-46.8	0	0	0	110.1	D509 N515	D509-D511 VanDerWaalsContact C-N 3.31Å; D509-D511 PolarHBondContact OD1-N 3.1Å; D511-N515 WeakPolarHBondContact O-CB 3.33Å; D511-N515 PolarHBondContact O-N 2.99Å; D511-N515 PolarHBondContact O-ND2 3.42Å
512	Q	66.9	Low	65.6	Low	140 Å²	140	101.7 Å²	101.7	65%	0.654	56%	0.559	S	S	*	*	H	α-helix	trans	-63.6	-42.7	171.2	-175.7	173.4	79.9	0	0	112	D509 A516	D509-Q512 HydrophobicContact CB-CB 3.87Å; D509-Q512 PolarHBondContact OD1-N 3.28Å; Q512-A516 WeakPolarHBondContact O-CB 3.45Å; Q512-A516 PolarHBondContact O-N 2.86Å
513	V	67.9	Low	64.4	Low	72 Å²	72	99.5 Å²	99.5	44%	0.436	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-41.3	178.2	169.6	0	0	0	0	111.6	F508 D509 L510 A516 A517	F508-V513 HydrophobicContact CE2-CG2 4.11Å; D509-V513 VanDerWaalsContact O-CG2 3.29Å; D509-V513 WeakPolarHBondContact O-CG2 3.37Å; D509-V513 PolarHBondContact O-N 3.48Å; D509-V513 VanDerWaalsContact O-N 3.12Å; L510-V513 PolarHBondContact O-N 2.73Å; V513-A516 PolarHBondContact O-N 2.71Å; V513-A517 WeakPolarHBondContact O-CB 3.23Å; V513-A517 PolarHBondContact O-N 2.64Å
514	V	67.2	Low	63.3	Low	65 Å²	65	96.6 Å²	96.6	39%	0.394	56%	0.562	S	S	.	*	H	α-helix	trans	-67.9	-42.6	176.7	168.6	0	0	0	0	111.1	L510 A516 A517 L518	L510-V514 HydrophobicContact CD1-CG2 4.07Å; L510-V514 HydrophobicContact CG-CG2 4.2Å; L510-V514 WeakPolarHBondContact O-CB 3.4Å; L510-V514 VanDerWaalsContact O-CG2 3.25Å; L510-V514 WeakPolarHBondContact O-CG2 3.03Å; L510-V514 PolarHBondContact O-N 3.44Å; V514-A516 VanDerWaalsContact C-N 3.34Å; V514-A516 PolarHBondContact O-N 3.04Å; V514-A517 PolarHBondContact O-N 3.28Å; V514-L518 HydrophobicContact CG1-CD1 3.9Å; V514-L518 HydrophobicContact CG1-CG 4.32Å; V514-L518 WeakPolarHBondContact O-CB 3.45Å; V514-L518 VanDerWaalsContact O-CG 3.3Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.03Å
515	N	63.8	Low	61.8	Low	93 Å²	93	102.7 Å²	102.7	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-61.7	-40.9	173.3	-83	-79.8	0	0	0	111.8	D511 A517 L518 L519	D511-N515 WeakPolarHBondContact O-CB 3.33Å; D511-N515 PolarHBondContact O-N 2.99Å; D511-N515 PolarHBondContact O-ND2 3.42Å; N515-A517 VanDerWaalsContact C-N 3.34Å; N515-A517 PolarHBondContact O-N 2.62Å; N515-L518 PolarHBondContact O-N 2.98Å; N515-L519 WeakPolarHBondContact O-CB 3.24Å; N515-L519 VanDerWaalsContact O-CG 3.26Å; N515-L519 WeakPolarHBondContact O-CG 3.46Å; N515-L519 PolarHBondContact O-N 3.21Å
516	A	66.3	Low	60.6	Low	52 Å²	52	103 Å²	103	43%	0.43	59%	0.588	S	S	.	*	H	α-helix	trans	-64.5	-36.3	175	0	0	0	0	0	112.7	Q512 V513 V514 L520	Q512-A516 WeakPolarHBondContact O-CB 3.45Å; Q512-A516 PolarHBondContact O-N 2.86Å; V513-A516 PolarHBondContact O-N 2.71Å; V514-A516 VanDerWaalsContact C-N 3.34Å; V514-A516 PolarHBondContact O-N 3.04Å; A516-L520 PolarHBondContact O-N 3.12Å
517	A	69.4	Low	59	Low	50 Å²	50	102.6 Å²	102.6	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-70.5	-41.7	175.1	0	0	0	0	0	112.5	V513 V514 N515 L520 V521	V513-A517 WeakPolarHBondContact O-CB 3.23Å; V513-A517 PolarHBondContact O-N 2.64Å; V514-A517 PolarHBondContact O-N 3.28Å; N515-A517 VanDerWaalsContact C-N 3.34Å; N515-A517 PolarHBondContact O-N 2.62Å; A517-L520 WeakPolarHBondContact O-CA 3.25Å; A517-L520 WeakPolarHBondContact O-CB 3.46Å; A517-L520 PolarHBondContact O-N 3.3Å; A517-V521 WeakPolarHBondContact O-CG2 3.39Å; A517-V521 PolarHBondContact O-N 3.02Å
518	L	65.1	Low	57.1	Low	104 Å²	104	109.8 Å²	109.8	55%	0.545	62%	0.622	S	S	.	*	H	α-helix	trans	-62.1	-43.8	176	-71.7	168.6	0	0	0	111.3	V514 N515 L520 V521 D522	V514-L518 HydrophobicContact CG1-CD1 3.9Å; V514-L518 HydrophobicContact CG1-CG 4.32Å; V514-L518 WeakPolarHBondContact O-CB 3.45Å; V514-L518 VanDerWaalsContact O-CG 3.3Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.03Å; N515-L518 PolarHBondContact O-N 2.98Å; L518-L520 PolarHBondContact O-N 2.9Å; L518-V521 PolarHBondContact O-N 3.05Å; L518-V521 VanDerWaalsContact O-N 3.12Å; L518-D522 PolarHBondContact O-N 3.25Å
519	L	69.2	Low	56	Low	137 Å²	137	113 Å²	113	72%	0.717	64%	0.64	S	S	*	*	H	α-helix	trans	-62.1	-20.3	173.3	-71.8	169.1	0	0	0	113.8	N515	N515-L519 WeakPolarHBondContact O-CB 3.24Å; N515-L519 VanDerWaalsContact O-CG 3.26Å; N515-L519 WeakPolarHBondContact O-CG 3.46Å; N515-L519 PolarHBondContact O-N 3.21Å
520	L	63.8	Low	54.3	Low	135 Å²	135	112.9 Å²	112.9	71%	0.707	66%	0.655	S	S	*	*	H	α-helix	trans	-86.1	-33.2	173.9	-99.3	159.6	0	0	0	112.6	A516 A517 L518	A516-L520 PolarHBondContact O-N 3.12Å; A517-L520 WeakPolarHBondContact O-CA 3.25Å; A517-L520 WeakPolarHBondContact O-CB 3.46Å; A517-L520 PolarHBondContact O-N 3.3Å; L518-L520 PolarHBondContact O-N 2.9Å
521	V	57.1	Low	52.8	Low	90 Å²	90	112 Å²	112	55%	0.545	67%	0.671	S	S	.	*	H	α-helix	trans	-77.8	-37.7	179.5	173.2	0	0	0	0	112.1	A517 L518 G523 I524	A517-V521 WeakPolarHBondContact O-CG2 3.39Å; A517-V521 PolarHBondContact O-N 3.02Å; L518-V521 PolarHBondContact O-N 3.05Å; L518-V521 VanDerWaalsContact O-N 3.12Å; V521-G523 PolarHBondContact O-N 2.88Å; V521-I524 PolarHBondContact O-N 3.14Å; V521-I524 VanDerWaalsContact O-N 3.07Å
522	D	49.3	Very low	51.4	Low	142 Å²	142	113.6 Å²	113.6	76%	0.759	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-19.5	175.7	-107	17.9	0	0	0	113	L518 I524	L518-D522 PolarHBondContact O-N 3.25Å; D522-I524 VanDerWaalsContact C-N 3.28Å; D522-I524 PolarHBondContact O-N 2.93Å
523	G	48.1	Very low	49.5	Very low	70 Å²	70	112.2 Å²	112.2	72%	0.722	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-8.2	176	0	0	0	0	0	115.5	V521	V521-G523 PolarHBondContact O-N 2.88Å
524	I	48.2	Very low	47.5	Very low	130 Å²	130	119.2 Å²	119.2	67%	0.667	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-27.7	-170.4	-60.2	178.8	0	0	0	112.9	V521 D522	V521-I524 PolarHBondContact O-N 3.14Å; V521-I524 VanDerWaalsContact O-N 3.07Å; D522-I524 VanDerWaalsContact C-N 3.28Å; D522-I524 PolarHBondContact O-N 2.93Å
525	Y	36.9	Very low	45.6	Very low	199 Å²	199	123.5 Å²	123.5	78%	0.78	72%	0.721	S	S	*	*	S	Bend	trans	-111.2	101.5	177.6	-74.7	-83.7	0	0	0	110.8	A527	Y525-A527 PolarHBondContact O-N 3.24Å
526	G	44.2	Very low	43.9	Very low	93 Å²	93	124.7 Å²	124.7	96%	0.959	73%	0.734	S	S	*	*			trans	-60.8	100.8	-170.9	0	0	0	0	0	114.9
527	A	33.4	Very low	42.2	Very low	96 Å²	96	127.3 Å²	127.3	79%	0.793	76%	0.756	S	S	*	*			trans	-114.4	153.4	168	0	0	0	0	0	111	Y525	Y525-A527 PolarHBondContact O-N 3.24Å
528	K	32.6	Very low	40.4	Very low	209 Å²	209	128.5 Å²	128.5	91%	0.909	77%	0.773	S	S	*	*			trans	-66.7	156.3	-163.4	-67	175.9	-178.8	178.7	0	114.7	G530	K528-G530 PolarHBondContact O-N 2.9Å
529	E	42.7	Very low	38.8	Very low	208 Å²	208	132.2 Å²	132.2	97%	0.972	79%	0.788	S	S	*	*			trans	-42.1	124.5	-178.9	-61.2	168.9	105.5	0	0	115
530	G	29.7	Very low	36.8	Very low	69 Å²	69	126.9 Å²	126.9	71%	0.711	76%	0.763	S	S	*	*			trans	-146	110.3	170.4	0	0	0	0	0	110.6	K528 I532	K528-G530 PolarHBondContact O-N 2.9Å; G530-I532 PolarHBondContact O-N 3.1Å
531	G	28.8	Very low	35.1	Very low	82 Å²	82	124.8 Å²	124.8	85%	0.845	76%	0.756	S	S	*	*			trans	-69.7	90.2	-168.6	0	0	0	0	0	115.6	S533	G531-S533 PolarHBondContact O-N 2.87Å
532	I	28.4	Very low	33.7	Very low	149 Å²	149	124.1 Å²	124.1	76%	0.764	74%	0.744	S	S	*	*			trans	28.8	84.9	148.8	-46.6	178	0	0	0	115.4	G530 R534	G530-I532 PolarHBondContact O-N 3.1Å; I532-R534 HydrophobicContact CG2-CG 4.21Å; I532-R534 PolarHBondContact O-N 2.84Å
533	S	26.4	Very low	32.6	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	75%	0.753	S	S	*	*			trans	-87.1	88.5	165.1	-178.6	0	0	0	0	110.5	G531 L535	G531-S533 PolarHBondContact O-N 2.87Å; S533-L535 PolarHBondContact O-N 3.39Å; S533-L535 VanDerWaalsContact O-N 3.12Å
534	R	27.6	Very low	31.6	Very low	220 Å²	220	130.9 Å²	130.9	83%	0.83	75%	0.749	S	S	*	*			trans	-62.7	112	167.8	-79.9	-174.4	172.9	-175.5	-2.6	109.7	I532	I532-R534 HydrophobicContact CG2-CG 4.21Å; I532-R534 PolarHBondContact O-N 2.84Å
535	L	26.2	Very low	30.7	Very low	154 Å²	154	131.8 Å²	131.8	81%	0.806	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-64.1	128.9	167.9	-79	164.3	0	0	0	109.6	S533 A537	S533-L535 PolarHBondContact O-N 3.39Å; S533-L535 VanDerWaalsContact O-N 3.12Å; L535-A537 PolarHBondContact O-N 3.22Å
536	P	28.8	Very low	30.8	Very low	119 Å²	119	124.8 Å²	124.8	77%	0.773	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-63.8	132.6	173.2	-21.4	33.4	0	0	0	110.9	G538	P536-G538 PolarHBondContact O-N 2.79Å
537	A	31	Very low	30.5	Very low	107 Å²	107	128.2 Å²	128.2	88%	0.884	73%	0.732	S	S	*	*	S	Bend	trans	-71.1	126.5	174.8	0	0	0	0	0	110.7	L535	L535-A537 PolarHBondContact O-N 3.22Å
538	G	31.6	Very low	31	Very low	74 Å²	74	127.5 Å²	127.5	76%	0.763	71%	0.714	S	S	*	*			trans	96.3	22.8	152.7	0	0	0	0	0	119.6	P536 A540	P536-G538 PolarHBondContact O-N 2.79Å; G538-A540 PolarHBondContact O-N 3.05Å
539	Q	30.1	Very low	31.9	Very low	183 Å²	183	119.9 Å²	119.9	86%	0.855	68%	0.681	S	S	*	*			trans	-73.7	74.7	160.4	-88.7	-163.4	-9.3	0	0	111.5	T541	Q539-T541 PolarHBondContact O-N 3.25Å; Q539-T541 VanDerWaalsContact O-N 3.14Å
540	A	28.6	Very low	33	Very low	24 Å²	24	115.2 Å²	115.2	20%	0.198	66%	0.655	C	S	.	*			trans	-65.1	107.5	166	0	0	0	0	0	109.3	P461 G538 Y542	P461-A540 HydrophobicContact CG-CB 4.22Å; G538-A540 PolarHBondContact O-N 3.05Å; A540-Y542 HydrophobicContact CB-CD2 4.45Å; A540-Y542 HydrophobicContact CB-CE1 4.32Å; A540-Y542 HydrophobicContact CB-CE2 3.73Å; A540-Y542 WeakPolarHBondContact O-CD2 3.49Å; A540-Y542 WeakPolarHBondContact O-CE2 3.3Å; A540-Y542 PolarHBondContact O-N 3.02Å; A540-Y542 VanDerWaalsContact O-N 3.07Å
541	T	27.4	Very low	35.2	Very low	91 Å²	91	113.3 Å²	113.3	56%	0.558	63%	0.628	S	S	*	*			trans	-86.5	73.5	-175.6	35.9	0	0	0	0	111.8	Q539 R543	Q539-T541 PolarHBondContact O-N 3.25Å; Q539-T541 VanDerWaalsContact O-N 3.14Å; T541-R543 PolarHBondContact O-N 3.2Å
542	Y	28	Very low	37.6	Very low	77 Å²	77	109.7 Å²	109.7	30%	0.302	59%	0.589	S	S	.	*			trans	-54.9	111	174.1	-52.1	-79.7	0	0	0	111.1	S463 A540 T544 R550	S463-Y542 WeakPolarHBondContact CB-OH 3.39Å; A540-Y542 HydrophobicContact CB-CD2 4.45Å; A540-Y542 HydrophobicContact CB-CE1 4.32Å; A540-Y542 HydrophobicContact CB-CE2 3.73Å; A540-Y542 WeakPolarHBondContact O-CD2 3.49Å; A540-Y542 WeakPolarHBondContact O-CE2 3.3Å; A540-Y542 PolarHBondContact O-N 3.02Å; A540-Y542 VanDerWaalsContact O-N 3.07Å; Y542-T544 VanDerWaalsContact C-N 3.34Å; Y542-T544 PolarHBondContact O-N 3.11Å; Y542-R550 PolarHBondContact O-NH2 2.96Å
543	R	26.3	Very low	40.2	Very low	249 Å²	249	104.4 Å²	104.4	94%	0.94	56%	0.562	S	S	*	*			trans	-90.5	67.8	170.7	-84.5	-169.8	167.1	-154.4	-3.9	110.7	T541	T541-R543 PolarHBondContact O-N 3.2Å
544	T	27.4	Very low	42.8	Very low	104 Å²	104	103.5 Å²	103.5	64%	0.638	54%	0.542	S	S	*	.			trans	-74.4	157.3	146.2	44.8	0	0	0	0	108.8	Y542 C546	Y542-T544 VanDerWaalsContact C-N 3.34Å; Y542-T544 PolarHBondContact O-N 3.11Å; T544-C546 VanDerWaalsContact C-N 3.32Å; T544-C546 PolarHBondContact O-N 3.4Å
545	T	28.9	Very low	45.5	Very low	149 Å²	149	93.2 Å²	93.2	91%	0.914	50%	0.503	S	S	*	.	S	Bend	trans	-78.3	-9.1	-167.6	36.1	0	0	0	0	115.3
546	C	37.8	Very low	48.1	Very low	53 Å²	53	89.1 Å²	89.1	36%	0.358	48%	0.48	S	S	.	.			trans	-115.3	126.2	177.1	-56.6	0	0	0	0	109.8	T544 F549	T544-C546 VanDerWaalsContact C-N 3.32Å; T544-C546 PolarHBondContact O-N 3.4Å; C546-F549 HydrophobicContact CB-CD2 3.73Å; C546-F549 HydrophobicContact CB-CE2 3.37Å; C546-F549 HydrophobicContact CB-CZ 4.16Å
547	Q	39	Very low	50.1	Low	165 Å²	165	86.6 Å²	86.6	77%	0.771	46%	0.463	S	S	*	.	S	Bend	trans	-86.4	-18.8	-174.9	-62.8	-174.4	13.6	0	0	113.3	F549	Q547-F549 PolarHBondContact O-N 3.16Å
548	D	42.9	Very low	51	Low	81 Å²	81	87 Å²	87	43%	0.433	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-75.1	-22.1	-167.2	-69.2	18.3	0	0	0	114.3	R550 K694	D548-R550 PolarHBondContact O-N 3.3Å; D548-R550 VanDerWaalsContact O-N 3.1Å; D548-K694 WeakPolarHBondContact OD2-CE 3.43Å; D548-K694 IonicContact OD2-NZ 3.88Å; D548-K694 PolarHBondContact OD2-NZ 2.88Å
549	F	51.6	Low	51.5	Low	48 Å²	48	89.2 Å²	89.2	21%	0.211	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-77.3	5.8	-170.6	-55.9	-46	0	0	0	115.8	C546 Q547 H734 V756 F759	C546-F549 HydrophobicContact CB-CD2 3.73Å; C546-F549 HydrophobicContact CB-CE2 3.37Å; C546-F549 HydrophobicContact CB-CZ 4.16Å; Q547-F549 PolarHBondContact O-N 3.16Å; F549-H734 AromaticContact CD1-CE1 3.7Å; F549-H734 AromaticContact CD1-NE2 3.41Å; F549-H734 WeakPolarHBondContact CD1-NE2 3.41Å; F549-H734 AromaticContact CE1-NE2 3.37Å; F549-H734 WeakPolarHBondContact CE1-NE2 3.35Å; F549-V756 HydrophobicContact CE1-CG1 4.37Å; F549-V756 HydrophobicContact CE1-CG2 3.97Å; F549-V756 HydrophobicContact CE2-CG1 4.09Å; F549-V756 HydrophobicContact CZ-CG1 3.93Å; F549-V756 HydrophobicContact CZ-CG2 3.84Å; F549-F759 HydrophobicContact CB-CE2 4.12Å; F549-F759 HydrophobicContact CD1-CD2 4.25Å; F549-F759 AromaticContact CD1-CE2 3.93Å; F549-F759 HydrophobicContact CD1-CE2 3.93Å; F549-F759 HydrophobicContact CG-CD2 4.44Å; F549-F759 HydrophobicContact CG-CE2 4.25Å
550	R	66.4	Low	52	Low	111 Å²	111	85.9 Å²	85.9	42%	0.419	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-87.7	2.1	-175.5	-62	-171.4	-173.1	166.3	2.8	115.1	Y542 D548 L552 D553	Y542-R550 PolarHBondContact O-NH2 2.96Å; D548-R550 PolarHBondContact O-N 3.3Å; D548-R550 VanDerWaalsContact O-N 3.1Å; R550-L552 VanDerWaalsContact C-N 3.27Å; R550-L552 PolarHBondContact O-N 3.43Å; R550-D553 WeakPolarHBondContact O-CB 3.2Å; R550-D553 PolarHBondContact O-N 2.83Å; R550-D553 VanDerWaalsContact O-N 3.1Å
551	I	74.8	Confident	52.3	Low	28 Å²	28	89.2 Å²	89.2	14%	0.144	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-63.8	-33.8	-173.3	-51.9	157.2	0	0	0	111.6	R554 V690 V693 Y699	I551-R554 WeakPolarHBondContact O-CD 3.48Å; I551-R554 WeakPolarHBondContact O-CG 3.49Å; I551-V690 HydrophobicContact CG2-CG2 4.42Å; I551-V693 HydrophobicContact CD1-CG1 3.6Å; I551-V693 HydrophobicContact CD1-CG2 4.31Å; I551-V693 HydrophobicContact CG1-CG1 4Å; I551-V693 HydrophobicContact CG2-CG2 4.42Å; I551-Y699 HydrophobicContact CB-CD1 4.01Å; I551-Y699 HydrophobicContact CB-CE1 4.06Å; I551-Y699 HydrophobicContact CD1-CD1 3.86Å; I551-Y699 HydrophobicContact CD1-CD2 3.69Å; I551-Y699 HydrophobicContact CD1-CE1 4.21Å; I551-Y699 HydrophobicContact CD1-CE2 4.06Å; I551-Y699 HydrophobicContact CD1-CG 3.6Å; I551-Y699 HydrophobicContact CG2-CD1 3.48Å; I551-Y699 VanDerWaalsContact CG2-CD1 3.48Å; I551-Y699 HydrophobicContact CG2-CE1 3.91Å; I551-Y699 HydrophobicContact CG2-CG 4.2Å
552	L	80.7	Confident	52.8	Low	6 Å²	6	96 Å²	96	3%	0.031	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-80	-17	177.8	-61.2	177.8	0	0	0	113.5	R550 R554 Y555 W659 Y699 S701 F702 F759 Y763	R550-L552 VanDerWaalsContact C-N 3.27Å; R550-L552 PolarHBondContact O-N 3.43Å; L552-R554 PolarHBondContact O-N 3.25Å; L552-Y555 HydrophobicContact CD2-CD2 4.48Å; L552-Y555 PolarHBondContact O-N 3.1Å; L552-W659 HydrophobicContact CD1-CH2 4.21Å; L552-Y699 HydrophobicContact CD2-CE1 4.05Å; L552-Y699 HydrophobicContact CG-CE1 4.4Å; L552-S701 WeakPolarHBondContact CD2-O 3.41Å; L552-F702 HydrophobicContact CD2-CE2 4.15Å; L552-F702 HydrophobicContact CD2-CZ 4.23Å; L552-F759 HydrophobicContact CD1-CE1 3.84Å; L552-F759 HydrophobicContact CD1-CZ 3.9Å; L552-Y763 HydrophobicContact CB-CE1 3.7Å
553	D	82.2	Confident	53.1	Low	38 Å²	38	99 Å²	99	20%	0.203	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-62.7	-30.5	179.6	-75.3	-19	0	0	0	112.4	R550 Y555 Q556 K762 Y763	R550-D553 WeakPolarHBondContact O-CB 3.2Å; R550-D553 PolarHBondContact O-N 2.83Å; R550-D553 VanDerWaalsContact O-N 3.1Å; D553-Y555 PolarHBondContact O-N 3.37Å; D553-Q556 WeakPolarHBondContact O-CB 3.43Å; D553-Q556 PolarHBondContact O-N 3.35Å; D553-K762 VanDerWaalsContact OD1-CE 3.31Å; D553-K762 WeakPolarHBondContact OD1-CE 3.45Å; D553-K762 IonicContact OD1-NZ 3.28Å; D553-K762 PolarHBondContact OD1-NZ 3.17Å; D553-K762 IonicContact OD2-NZ 2.57Å; D553-K762 PolarHBondContact OD2-NZ 2.93Å; D553-Y763 PolarHBondContact OD1-OH 3.18Å
554	R	81.6	Confident	53.4	Low	92 Å²	92	90 Å²	90	35%	0.347	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28	179.4	73.6	-162.4	-72.2	-174.2	0	113.2	I551 L552 E666	I551-R554 WeakPolarHBondContact O-CD 3.48Å; I551-R554 WeakPolarHBondContact O-CG 3.49Å; L552-R554 PolarHBondContact O-N 3.25Å; R554-E666 WeakPolarHBondContact CG-OE2 3.18Å; R554-E666 IonicContact CZ-OE1 3.61Å; R554-E666 IonicContact CZ-OE2 3.52Å; R554-E666 VanDerWaalsContact NE-CD 3.34Å; R554-E666 IonicContact NE-OE1 3.41Å; R554-E666 PolarHBondContact NE-OE1 2.96Å; R554-E666 IonicContact NE-OE2 2.83Å; R554-E666 PolarHBondContact NE-OE2 3.27Å; R554-E666 IonicContact NH2-OE1 3.49Å; R554-E666 PolarHBondContact NH2-OE1 2.94Å; R554-E666 IonicContact NH2-OE2 3.33Å; R554-E666 PolarHBondContact NH2-OE2 2.73Å
555	Y	83.8	Confident	53.9	Low	4 Å²	4	90.7 Å²	90.7	2%	0.016	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-92.7	0.8	-179.1	-50.5	-70.3	0	0	0	112.9	L552 D553 I662 D663 L664 E666 Y670 V690 F702	L552-Y555 HydrophobicContact CD2-CD2 4.48Å; L552-Y555 PolarHBondContact O-N 3.1Å; D553-Y555 PolarHBondContact O-N 3.37Å; Y555-I662 WeakPolarHBondContact O-CA 3.37Å; Y555-D663 WeakPolarHBondContact CD1-O 3.24Å; Y555-D663 PolarHBondContact O-N 2.87Å; Y555-L664 HydrophobicContact CD1-CD2 3.61Å; Y555-L664 HydrophobicContact CE1-CD2 4.13Å; Y555-L664 HydrophobicContact CG-CD2 3.83Å; Y555-E666 HydrophobicContact CE1-CB 4.29Å; Y555-Y670 PolarHBondContact OH-OH 2.95Å; Y555-V690 WeakPolarHBondContact OH-CG2 3.19Å; Y555-F702 AromaticContact CD2-CE2 3.59Å; Y555-F702 HydrophobicContact CD2-CE2 3.59Å; Y555-F702 HydrophobicContact CD2-CZ 4.31Å; Y555-F702 AromaticContact CE2-CE2 3.94Å; Y555-F702 HydrophobicContact CE2-CE2 3.94Å; Y555-F702 AromaticContact CG-CE2 3.99Å; Y555-F702 HydrophobicContact CG-CE2 3.99Å
556	Q	81.6	Confident	54.3	Low	69 Å²	69	94.4 Å²	94.4	32%	0.322	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-80.7	116.1	175.6	-67.8	-165.9	-18.2	0	0	111.1	D553 S558 Y763	D553-Q556 WeakPolarHBondContact O-CB 3.43Å; D553-Q556 PolarHBondContact O-N 3.35Å; Q556-S558 PolarHBondContact O-N 2.95Å; Q556-Y763 HydrophobicContact CG-CD1 4.37Å; Q556-Y763 HydrophobicContact CG-CE1 4.28Å; Q556-Y763 VanDerWaalsContact NE2-CE1 3.3Å
557	T	70.6	Confident	54.5	Low	66 Å²	66	98.4 Å²	98.4	41%	0.405	49%	0.488	S	S	.	.			trans	-74.1	116.2	178.5	-44.6	0	0	0	0	111.2	L559 G661	T557-L559 PolarHBondContact O-N 3.41Å; T557-G661 WeakPolarHBondContact CB-O 3.47Å; T557-G661 PolarHBondContact N-O 2.8Å; T557-G661 PolarHBondContact OG1-O 2.86Å
558	S	49.8	Very low	54.6	Low	116 Å²	116	99.3 Å²	99.3	81%	0.811	49%	0.492	S	S	*	.	S	Bend	trans	-78	78.5	179	47.4	0	0	0	0	112.6	Q556	Q556-S558 PolarHBondContact O-N 2.95Å
559	L	42.2	Very low	54.4	Low	120 Å²	120	100.9 Å²	100.9	63%	0.628	51%	0.505	S	S	*	.	S	Bend	trans	66.1	157.8	-171.8	-70	167.2	0	0	0	113.3	T557 S561	T557-L559 PolarHBondContact O-N 3.41Å; L559-S561 PolarHBondContact O-N 3.03Å
560	P	40.4	Very low	54.4	Low	113 Å²	113	100.9 Å²	100.9	73%	0.734	51%	0.509	S	S	*	.			trans	-76.4	72.8	-171.8	31.5	-37	0	0	0	112.3	R562	P560-R562 PolarHBondContact O-N 2.98Å
561	S	33.9	Very low	54.1	Low	93 Å²	93	102.4 Å²	102.4	65%	0.65	52%	0.519	S	S	*	.			trans	-68.5	70.7	158	-169	0	0	0	0	108.6	L559 K563	L559-S561 PolarHBondContact O-N 3.03Å; S561-K563 PolarHBondContact O-N 2.92Å
562	R	39.1	Very low	53.5	Low	234 Å²	234	108.7 Å²	108.7	88%	0.883	55%	0.546	S	S	*	.			trans	-73.3	58.9	179.6	-161.4	-180	-173.4	-170.9	3	109.6	P560 G564	P560-R562 PolarHBondContact O-N 2.98Å; R562-G564 PolarHBondContact O-N 3.05Å
563	K	34.7	Very low	52.4	Low	140 Å²	140	113.8 Å²	113.8	61%	0.609	57%	0.572	S	S	*	*			trans	-55.8	89.3	157.4	-81	-174.2	173.8	-179	0	105.6	S561 F565	S561-K563 PolarHBondContact O-N 2.92Å; K563-F565 PolarHBondContact O-N 3.01Å
564	G	32.8	Very low	51.4	Low	61 Å²	61	115.1 Å²	115.1	63%	0.629	58%	0.575	S	S	*	*			trans	-52.3	116.5	-176	0	0	0	0	0	108.8	R562 R566	R562-G564 PolarHBondContact O-N 3.05Å; G564-R566 VanDerWaalsContact C-N 3.34Å; G564-R566 PolarHBondContact O-N 3.49Å
565	F	37.1	Very low	50.5	Low	118 Å²	118	118.2 Å²	118.2	52%	0.518	59%	0.586	S	S	.	*			trans	-62.2	101.3	-175.6	-164.8	-84.4	0	0	0	107	K563 H567 P644	K563-F565 PolarHBondContact O-N 3.01Å; F565-H567 PolarHBondContact O-N 3.25Å; F565-P644 HydrophobicContact CE1-CB 4.09Å; F565-P644 HydrophobicContact CZ-CB 4.23Å
566	R	37.4	Very low	49.2	Very low	226 Å²	226	124.1 Å²	124.1	85%	0.853	62%	0.618	S	S	*	*			trans	-69	100.4	-170.1	-163.4	-176.6	-158.9	-151.4	6.2	106	G564 Q568	G564-R566 VanDerWaalsContact C-N 3.34Å; G564-R566 PolarHBondContact O-N 3.49Å; R566-Q568 PolarHBondContact O-N 3.16Å; R566-Q568 VanDerWaalsContact O-N 3.12Å
567	H	41	Very low	48.5	Very low	137 Å²	137	125.4 Å²	125.4	63%	0.634	63%	0.63	S	S	*	*			trans	-42.9	126.6	173.7	-77.7	-53.1	0	0	0	107.6	F565 T569	F565-H567 PolarHBondContact O-N 3.25Å; H567-T569 PolarHBondContact O-N 2.9Å
568	Q	42.3	Very low	47.5	Very low	184 Å²	184	124.9 Å²	124.9	86%	0.86	64%	0.638	S	S	*	*			trans	-55	114.1	164.7	-71.8	-171.7	1.6	0	0	105.2	R566 T570	R566-Q568 PolarHBondContact O-N 3.16Å; R566-Q568 VanDerWaalsContact O-N 3.12Å; Q568-T570 PolarHBondContact O-N 3Å
569	T	39.1	Very low	47.6	Very low	114 Å²	114	121 Å²	121	70%	0.699	61%	0.611	S	S	*	*			trans	-59.5	112.1	-170.8	43.7	0	0	0	0	107.7	H567 K571	H567-T569 PolarHBondContact O-N 2.9Å; T569-K571 PolarHBondContact O-N 3.47Å
570	T	52	Low	48	Very low	49 Å²	49	120.2 Å²	120.2	30%	0.301	60%	0.604	S	S	.	*			trans	-47.3	115.3	176	36.5	0	0	0	0	107.5	Q568 F572 R575	Q568-T570 PolarHBondContact O-N 3Å; T570-F572 PolarHBondContact O-N 3.45Å; T570-R575 PolarHBondContact OG1-NE 3.08Å; T570-R575 PolarHBondContact OG1-NH2 2.6Å
571	K	59.2	Low	48.5	Very low	143 Å²	143	118.3 Å²	118.3	62%	0.622	59%	0.588	S	S	*	*			trans	-49.2	137.1	-174.1	-66.9	-179	-179.7	174.3	0	107.4	T569 L573 Y574	T569-K571 PolarHBondContact O-N 3.47Å; K571-L573 PolarHBondContact O-N 3.33Å; K571-Y574 HydrophobicContact CB-CD2 3.75Å; K571-Y574 HydrophobicContact CB-CE2 4.01Å; K571-Y574 HydrophobicContact CD-CE2 3.94Å; K571-Y574 HydrophobicContact CG-CD2 4.25Å; K571-Y574 HydrophobicContact CG-CE2 4.06Å; K571-Y574 WeakPolarHBondContact O-CB 3.44Å; K571-Y574 PolarHBondContact O-N 3.42Å
572	F	61.7	Low	49.4	Very low	160 Å²	160	118.4 Å²	118.4	70%	0.702	58%	0.579	S	S	*	*	H	α-helix	trans	-46.8	-39.9	-173.2	177.4	-109.9	0	0	0	112.9	T570 Y574 R575 L576	T570-F572 PolarHBondContact O-N 3.45Å; F572-Y574 PolarHBondContact O-N 3.45Å; F572-R575 WeakPolarHBondContact O-CB 3.44Å; F572-R575 PolarHBondContact O-N 3.09Å; F572-R575 VanDerWaalsContact O-N 3.11Å; F572-L576 HydrophobicContact CE1-CD1 4.08Å; F572-L576 HydrophobicContact CE2-CD1 4.48Å; F572-L576 HydrophobicContact CZ-CD1 3.84Å; F572-L576 PolarHBondContact O-N 3.21Å
573	L	57.7	Low	50.1	Low	113 Å²	113	109.9 Å²	109.9	59%	0.592	56%	0.558	S	S	*	*	H	α-helix	trans	-54.9	-42.5	173.5	-169.7	149.1	0	0	0	114.3	K571 R575 L576 V577	K571-L573 PolarHBondContact O-N 3.33Å; L573-R575 VanDerWaalsContact C-N 3.29Å; L573-R575 PolarHBondContact O-N 3.03Å; L573-L576 PolarHBondContact O-N 3.05Å; L573-L576 VanDerWaalsContact O-N 3.17Å; L573-V577 HydrophobicContact CD2-CG2 4.23Å; L573-V577 HydrophobicContact CG-CG2 4.38Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 2.88Å
574	Y	60.9	Low	51.3	Low	65 Å²	65	104.7 Å²	104.7	26%	0.255	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-29.4	176.9	-62.4	-49.1	0	0	0	112.9	K571 F572 G578 S579	K571-Y574 HydrophobicContact CB-CD2 3.75Å; K571-Y574 HydrophobicContact CB-CE2 4.01Å; K571-Y574 HydrophobicContact CD-CE2 3.94Å; K571-Y574 HydrophobicContact CG-CD2 4.25Å; K571-Y574 HydrophobicContact CG-CE2 4.06Å; K571-Y574 WeakPolarHBondContact O-CB 3.44Å; K571-Y574 PolarHBondContact O-N 3.42Å; F572-Y574 PolarHBondContact O-N 3.45Å; Y574-G578 CarbonylContact O-C 3.57Å; Y574-G578 PolarHBondContact O-N 3.18Å; Y574-S579 PolarHBondContact O-N 3.06Å
575	R	63.3	Low	53	Low	157 Å²	157	104.9 Å²	104.9	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-75.6	-35.6	172	-61.2	-177.3	-174.9	-172.9	-5.6	111.9	T570 F572 L573	T570-R575 PolarHBondContact OG1-NE 3.08Å; T570-R575 PolarHBondContact OG1-NH2 2.6Å; F572-R575 WeakPolarHBondContact O-CB 3.44Å; F572-R575 PolarHBondContact O-N 3.09Å; F572-R575 VanDerWaalsContact O-N 3.11Å; L573-R575 VanDerWaalsContact C-N 3.29Å; L573-R575 PolarHBondContact O-N 3.03Å
576	L	57.4	Low	54.9	Low	129 Å²	129	103.7 Å²	103.7	68%	0.675	52%	0.521	S	S	*	.	H	α-helix	trans	-71.4	-36.2	-178.6	-152.7	82.6	0	0	0	112.7	F572 L573	F572-L576 HydrophobicContact CE1-CD1 4.08Å; F572-L576 HydrophobicContact CE2-CD1 4.48Å; F572-L576 HydrophobicContact CZ-CD1 3.84Å; F572-L576 PolarHBondContact O-N 3.21Å; L573-L576 PolarHBondContact O-N 3.05Å; L573-L576 VanDerWaalsContact O-N 3.17Å
577	V	65.4	Low	57.3	Low	96 Å²	96	96.3 Å²	96.3	58%	0.582	50%	0.504	S	S	*	.	S	Bend	trans	-96.2	2.1	179.9	-166	0	0	0	0	111.7	L573 S579	L573-V577 HydrophobicContact CD2-CG2 4.23Å; L573-V577 HydrophobicContact CG-CG2 4.38Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 2.88Å; V577-S579 WeakPolarHBondContact CG1-OG 3.45Å; V577-S579 PolarHBondContact O-N 3.3Å; V577-S579 VanDerWaalsContact O-N 3.08Å; V577-S579 PolarHBondContact O-OG 3.31Å; V577-S579 VanDerWaalsContact O-OG 3.05Å
578	G	50.8	Low	59.6	Low	55 Å²	55	91.8 Å²	91.8	57%	0.567	48%	0.484	S	S	*	.			trans	67.4	1.8	-178.6	0	0	0	0	0	115.5	Y574 E580	Y574-G578 CarbonylContact O-C 3.57Å; Y574-G578 PolarHBondContact O-N 3.18Å; G578-E580 VanDerWaalsContact C-N 3.28Å; G578-E580 PolarHBondContact O-N 3.16Å
579	S	50.5	Low	61.8	Low	35 Å²	35	87.5 Å²	87.5	25%	0.245	47%	0.47	C	S	.	.			trans	-83.8	48.6	-165.8	-32.9	0	0	0	0	114.2	Y574 V577 D581 M582	Y574-S579 PolarHBondContact O-N 3.06Å; V577-S579 WeakPolarHBondContact CG1-OG 3.45Å; V577-S579 PolarHBondContact O-N 3.3Å; V577-S579 VanDerWaalsContact O-N 3.08Å; V577-S579 PolarHBondContact O-OG 3.31Å; V577-S579 VanDerWaalsContact O-OG 3.05Å; S579-D581 PolarHBondContact O-N 3.1Å; S579-M582 WeakPolarHBondContact O-CB 3.44Å; S579-M582 PolarHBondContact O-N 2.88Å
580	E	51.2	Low	64.3	Low	103 Å²	103	82.2 Å²	82.2	48%	0.481	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.5	172.4	-66.9	-158.5	141	0	0	112	G578 M582 A583	G578-E580 VanDerWaalsContact C-N 3.28Å; G578-E580 PolarHBondContact O-N 3.16Å; E580-M582 VanDerWaalsContact C-N 3.26Å; E580-M582 PolarHBondContact O-N 3.38Å; E580-A583 WeakPolarHBondContact O-CB 3.43Å; E580-A583 PolarHBondContact O-N 3.35Å; E580-A583 VanDerWaalsContact O-N 3.1Å
581	D	52.2	Low	66.1	Low	73 Å²	73	84.3 Å²	84.3	39%	0.39	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-67.7	-23.4	179.2	-61.5	-43.2	0	0	0	113.3	S579 A583 V584 D585 K681	S579-D581 PolarHBondContact O-N 3.1Å; D581-A583 PolarHBondContact O-N 3.02Å; D581-A583 VanDerWaalsContact O-N 3.08Å; D581-V584 WeakPolarHBondContact O-CB 3.43Å; D581-V584 PolarHBondContact O-N 3.43Å; D581-D585 PolarHBondContact O-N 2.96Å; D581-K681 WeakPolarHBondContact OD1-CE 3.29Å; D581-K681 IonicContact OD1-NZ 2.67Å; D581-K681 PolarHBondContact OD1-NZ 3.26Å; D581-K681 IonicContact OD2-NZ 2.98Å; D581-K681 PolarHBondContact OD2-NZ 2.92Å
582	M	51.4	Low	67.5	Low	95 Å²	95	82.7 Å²	82.7	47%	0.468	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-63.5	-13.7	171.8	-69.3	-73.8	99.4	0	0	113.4	S579 E580 D585 Q586	S579-M582 WeakPolarHBondContact O-CB 3.44Å; S579-M582 PolarHBondContact O-N 2.88Å; E580-M582 VanDerWaalsContact C-N 3.26Å; E580-M582 PolarHBondContact O-N 3.38Å; M582-D585 HydrophobicContact CE-CB 4.31Å; M582-D585 VanDerWaalsContact CE-OD2 3.29Å; M582-D585 WeakPolarHBondContact CE-OD2 3.49Å; M582-Q586 WeakPolarHBondContact O-CG 3.23Å; M582-Q586 PolarHBondContact O-NE2 2.87Å
583	A	54.8	Low	68.8	Low	55 Å²	55	77.1 Å²	77.1	46%	0.455	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-83.7	-15.1	171.1	0	0	0	0	0	113.4	E580 D581 R643	E580-A583 WeakPolarHBondContact O-CB 3.43Å; E580-A583 PolarHBondContact O-N 3.35Å; E580-A583 VanDerWaalsContact O-N 3.1Å; D581-A583 PolarHBondContact O-N 3.02Å; D581-A583 VanDerWaalsContact O-N 3.08Å; A583-R643 PolarHBondContact O-NH1 2.88Å
584	V	59.4	Low	70.4	Confident	31 Å²	31	76.1 Å²	76.1	19%	0.188	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-43.5	172.2	-171.7	0	0	0	0	109.7	D581 Q586 Y600 R643	D581-V584 WeakPolarHBondContact O-CB 3.43Å; D581-V584 PolarHBondContact O-N 3.43Å; V584-Q586 PolarHBondContact O-N 2.88Å; V584-Q586 VanDerWaalsContact O-N 3.14Å; V584-Y600 HydrophobicContact CG1-CE1 4.1Å; V584-R643 PolarHBondContact O-NH1 2.88Å; V584-R643 PolarHBondContact O-NH2 3.44Å
585	D	68.3	Low	71.8	Confident	64 Å²	64	80.4 Å²	80.4	34%	0.342	44%	0.44	S	S	.	.	S	Bend	trans	-71	-2.5	178.8	-67.9	-37.8	0	0	0	114.7	D581 M582 P599 Y600	D581-D585 PolarHBondContact O-N 2.96Å; M582-D585 HydrophobicContact CE-CB 4.31Å; M582-D585 VanDerWaalsContact CE-OD2 3.29Å; M582-D585 WeakPolarHBondContact CE-OD2 3.49Å; D585-P599 WeakPolarHBondContact O-CG 3.07Å; D585-Y600 WeakPolarHBondContact OD1-CE2 3.31Å; D585-Y600 PolarHBondContact OD1-OH 3.15Å
586	Q	77.9	Confident	73.2	Confident	94 Å²	94	79 Å²	79	44%	0.439	44%	0.443	S	S	.	.	S	Bend	trans	-81	137.2	172.3	-81.3	166	54.4	0	0	111.9	M582 V584 R643	M582-Q586 WeakPolarHBondContact O-CG 3.23Å; M582-Q586 PolarHBondContact O-NE2 2.87Å; V584-Q586 PolarHBondContact O-N 2.88Å; V584-Q586 VanDerWaalsContact O-N 3.14Å; Q586-R643 PolarHBondContact O-NH1 2.95Å; Q586-R643 PolarHBondContact O-NH2 3.02Å
587	S	86.7	Confident	74.9	Confident	70 Å²	70	73.3 Å²	73.3	49%	0.49	41%	0.413	S	S	.	.			trans	-67.3	153.4	166.1	47.9	0	0	0	0	110.9	L597	S587-L597 VanDerWaalsContact CA-O 3.24Å; S587-L597 WeakPolarHBondContact CA-O 3.15Å; S587-L597 WeakPolarHBondContact CB-O 3.49Å
588	I	89	Confident	76.2	Confident	42 Å²	42	76.4 Å²	76.4	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.5	178.3	64.3	175.6	0	0	0	110.2	L597 P671	I588-L597 HydrophobicContact CD1-CD1 4.19Å; I588-L597 HydrophobicContact CG1-CB 3.93Å; I588-L597 HydrophobicContact CG1-CD1 4.01Å; I588-L597 HydrophobicContact CG1-CG 4.34Å; I588-L597 PolarHBondContact N-O 2.86Å; I588-L597 WeakPolarHBondContact O-CB 3.4Å; I588-L597 PolarHBondContact O-N 2.79Å; I588-P671 HydrophobicContact CD1-CB 4.25Å; I588-P671 HydrophobicContact CD1-CG 4.45Å
589	V	89.1	Confident	77.9	Confident	95 Å²	95	75.4 Å²	75.4	58%	0.576	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	129	175.8	-173.9	0	0	0	0	109.2	P591 R595 I596	V589-P591 WeakPolarHBondContact O-CD 3.45Å; V589-R595 WeakPolarHBondContact CA-O 3.38Å; V589-I596 HydrophobicContact CG2-CG1 4.4Å
590	S	90.8	Very high	80	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.021	40%	0.398	C	S	.	.			trans	-62.7	126.3	175.3	-173.9	0	0	0	0	111.8	Y592 T593 S594 R595 D672	S590-Y592 PolarHBondContact O-N 3.48Å; S590-Y592 PolarHBondContact OG-N 3.28Å; S590-T593 VanDerWaalsContact CB-OG1 3.25Å; S590-T593 WeakPolarHBondContact CB-OG1 3.49Å; S590-T593 PolarHBondContact OG-N 2.87Å; S590-T593 PolarHBondContact OG-OG1 2.77Å; S590-S594 VanDerWaalsContact O-CA 3.23Å; S590-S594 WeakPolarHBondContact O-CA 3.47Å; S590-S594 PolarHBondContact O-N 2.67Å; S590-S594 VanDerWaalsContact O-N 3.11Å; S590-R595 PolarHBondContact N-O 2.9Å; S590-D672 WeakPolarHBondContact CB-OD1 3.41Å; S590-D672 PolarHBondContact OG-OD1 3.44Å; S590-D672 PolarHBondContact OG-OD2 2.98Å; S590-D672 VanDerWaalsContact OG-OD2 3.05Å
591	P	89.9	Confident	82.1	Confident	92 Å²	92	72.5 Å²	72.5	60%	0.597	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.4	168.1	-17.5	32	0	0	0	113.3	V589 Q669	V589-P591 WeakPolarHBondContact O-CD 3.45Å; P591-Q669 WeakPolarHBondContact CB-O 3.09Å
592	Y	88.7	Confident	84.2	Confident	109 Å²	109	73 Å²	73	43%	0.427	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-50.5	-176.7	-169.5	-101.2	0	0	0	112.9	S590 Q669 F673 P691 D692	S590-Y592 PolarHBondContact O-N 3.48Å; S590-Y592 PolarHBondContact OG-N 3.28Å; Y592-Q669 PolarHBondContact N-O 3.05Å; Y592-F673 AromaticContact CD1-CE2 3.73Å; Y592-F673 HydrophobicContact CD1-CE2 3.73Å; Y592-F673 HydrophobicContact CD1-CZ 4.31Å; Y592-F673 HydrophobicContact CE1-CE2 4.17Å; Y592-F673 HydrophobicContact CE1-CZ 4.4Å; Y592-P691 HydrophobicContact CD1-CG 4.26Å; Y592-P691 HydrophobicContact CE1-CB 4.11Å; Y592-P691 HydrophobicContact CE1-CG 3.73Å; Y592-P691 HydrophobicContact CE2-CG 4.39Å; Y592-D692 PolarHBondContact OH-OD2 3.26Å
593	T	90.2	Very high	86.2	Confident	43 Å²	43	73.3 Å²	73.3	26%	0.264	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-6.9	-177.1	67.1	0	0	0	0	114.3	S590 R595 D672 F673	S590-T593 VanDerWaalsContact CB-OG1 3.25Å; S590-T593 WeakPolarHBondContact CB-OG1 3.49Å; S590-T593 PolarHBondContact OG-N 2.87Å; S590-T593 PolarHBondContact OG-OG1 2.77Å; T593-R595 PolarHBondContact O-N 3.35Å; T593-R595 VanDerWaalsContact OG1-CB 3.3Å; T593-R595 WeakPolarHBondContact OG1-CB 3.45Å; T593-R595 WeakPolarHBondContact OG1-CD 3.33Å; T593-R595 VanDerWaalsContact OG1-CG 3.25Å; T593-R595 WeakPolarHBondContact OG1-CG 3.43Å; T593-R595 PolarHBondContact OG1-N 2.61Å; T593-D672 WeakPolarHBondContact CB-OD2 3.38Å; T593-D672 WeakPolarHBondContact CG2-OD2 3.38Å; T593-D672 PolarHBondContact OG1-OD2 2.98Å; T593-F673 HydrophobicContact CG2-CE2 3.99Å; T593-F673 HydrophobicContact CG2-CZ 4.13Å
594	S	91.2	Very high	88.1	Confident	92 Å²	92	70.9 Å²	70.9	64%	0.643	36%	0.356	S	S	*	.			trans	57	11.1	-168.3	-57.4	0	0	0	0	115.1	S590	S590-S594 VanDerWaalsContact O-CA 3.23Å; S590-S594 WeakPolarHBondContact O-CA 3.47Å; S590-S594 PolarHBondContact O-N 2.67Å; S590-S594 VanDerWaalsContact O-N 3.11Å
595	R	90.1	Very high	89.7	Confident	156 Å²	156	76.1 Å²	76.1	59%	0.589	37%	0.374	S	S	*	.			trans	-71.6	144.4	176.8	-67.9	173.1	177.4	-172.2	-2.1	111.2	V589 S590 T593 L597	V589-R595 WeakPolarHBondContact CA-O 3.38Å; S590-R595 PolarHBondContact N-O 2.9Å; T593-R595 PolarHBondContact O-N 3.35Å; T593-R595 VanDerWaalsContact OG1-CB 3.3Å; T593-R595 WeakPolarHBondContact OG1-CB 3.45Å; T593-R595 WeakPolarHBondContact OG1-CD 3.33Å; T593-R595 VanDerWaalsContact OG1-CG 3.25Å; T593-R595 WeakPolarHBondContact OG1-CG 3.43Å; T593-R595 PolarHBondContact OG1-N 2.61Å; R595-L597 HydrophobicContact CB-CD2 4.47Å; R595-L597 PolarHBondContact O-N 3.12Å
596	I	92.3	Very high	90.8	Very high	127 Å²	127	80.3 Å²	80.3	65%	0.651	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	110.8	168.2	-55.1	177.1	0	0	0	107.7	V589	V589-I596 HydrophobicContact CG2-CG1 4.4Å
597	L	93	Very high	91.5	Very high	10 Å²	10	77.3 Å²	77.3	5%	0.052	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.4	176.4	-56.8	-174.6	0	0	0	110.2	S587 I588 R595 Y641 P671 D672	S587-L597 VanDerWaalsContact CA-O 3.24Å; S587-L597 WeakPolarHBondContact CA-O 3.15Å; S587-L597 WeakPolarHBondContact CB-O 3.49Å; I588-L597 HydrophobicContact CD1-CD1 4.19Å; I588-L597 HydrophobicContact CG1-CB 3.93Å; I588-L597 HydrophobicContact CG1-CD1 4.01Å; I588-L597 HydrophobicContact CG1-CG 4.34Å; I588-L597 PolarHBondContact N-O 2.86Å; I588-L597 WeakPolarHBondContact O-CB 3.4Å; I588-L597 PolarHBondContact O-N 2.79Å; R595-L597 HydrophobicContact CB-CD2 4.47Å; R595-L597 PolarHBondContact O-N 3.12Å; L597-Y641 HydrophobicContact CB-CD2 3.71Å; L597-Y641 HydrophobicContact CB-CE2 3.72Å; L597-Y641 HydrophobicContact CB-CG 4.41Å; L597-Y641 HydrophobicContact CD1-CD1 3.91Å; L597-Y641 HydrophobicContact CD1-CD2 3.81Å; L597-Y641 HydrophobicContact CD1-CE1 4.28Å; L597-Y641 HydrophobicContact CD1-CE2 4.21Å; L597-Y641 HydrophobicContact CD1-CG 3.63Å; L597-Y641 HydrophobicContact CD2-CE1 4.39Å; L597-Y641 HydrophobicContact CD2-CE2 4.25Å; L597-Y641 HydrophobicContact CG-CD2 4.26Å; L597-Y641 HydrophobicContact CG-CE2 4.28Å; L597-P671 HydrophobicContact CD1-CB 4.19Å; L597-P671 HydrophobicContact CD1-CG 4.01Å; L597-D672 HydrophobicContact CD1-CB 4.36Å; L597-D672 HydrophobicContact CD2-CB 4.08Å
598	K	91.9	Very high	91.7	Very high	160 Å²	160	79.1 Å²	79.1	70%	0.696	38%	0.378	S	S	*	.			trans	-61.7	153.8	171	-70.7	-174.5	178.6	-178.4	0	110.5	Y600	K598-Y600 WeakPolarHBondContact CB-O 3.22Å; K598-Y600 PolarHBondContact O-N 3.1Å
599	P	88.1	Confident	91.8	Very high	34 Å²	34	77.1 Å²	77.1	22%	0.221	37%	0.368	C	S	.	.	S	Bend	trans	-57.2	-39.5	-176.9	-25.2	34.5	0	0	0	113.5	D585 C640 R643	D585-P599 WeakPolarHBondContact O-CG 3.07Å; P599-C640 WeakPolarHBondContact O-CB 3.16Å; P599-R643 PolarHBondContact O-NH2 2.71Å; P599-R643 VanDerWaalsContact O-NH2 3.1Å
600	Y	93.8	Very high	92	Very high	38 Å²	38	74.6 Å²	74.6	15%	0.149	35%	0.354	C	S	.	.			trans	-120.8	151.3	174.9	-51.1	-85.7	0	0	0	110.4	V584 D585 K598 R603 D638 Y639 C640	V584-Y600 HydrophobicContact CG1-CE1 4.1Å; D585-Y600 WeakPolarHBondContact OD1-CE2 3.31Å; D585-Y600 PolarHBondContact OD1-OH 3.15Å; K598-Y600 WeakPolarHBondContact CB-O 3.22Å; K598-Y600 PolarHBondContact O-N 3.1Å; Y600-R603 HydrophobicContact CD1-CG 4.04Å; Y600-R603 HydrophobicContact CD2-CG 4.16Å; Y600-R603 HydrophobicContact CG-CG 3.79Å; Y600-R603 PolarHBondContact OH-NH1 2.97Å; Y600-R603 PolarHBondContact OH-NH2 2.97Å; Y600-R603 VanDerWaalsContact OH-NH2 3.15Å; Y600-D638 HydrophobicContact CD1-CB 3.92Å; Y600-D638 HydrophobicContact CE1-CB 3.88Å; Y600-Y639 CarbonylContact C-O 3.56Å; Y600-Y639 WeakPolarHBondContact CA-O 3.43Å; Y600-C640 HydrophobicContact CD1-CB 4.42Å
601	I	95.5	Very high	92	Very high	39 Å²	39	77.4 Å²	77.4	20%	0.2	37%	0.366	C	S	.	.	S	Bend	trans	-83.5	-47	167	-61.4	159.7	0	0	0	109.2	Y639 Y641 V675 F717 H721	I601-Y639 PolarHBondContact N-O 2.94Å; I601-Y641 HydrophobicContact CD1-CD1 3.85Å; I601-Y641 HydrophobicContact CD1-CD2 4.44Å; I601-Y641 HydrophobicContact CD1-CE1 3.8Å; I601-Y641 HydrophobicContact CD1-CE2 4.37Å; I601-Y641 HydrophobicContact CD1-CG 4.21Å; I601-Y641 HydrophobicContact CG1-CD1 4.11Å; I601-Y641 HydrophobicContact CG1-CD2 4Å; I601-Y641 HydrophobicContact CG1-CE1 3.73Å; I601-Y641 HydrophobicContact CG1-CE2 3.58Å; I601-Y641 HydrophobicContact CG1-CG 4.27Å; I601-Y641 VanDerWaalsContact CG1-CZ 3.46Å; I601-V675 HydrophobicContact CD1-CB 4.34Å; I601-V675 HydrophobicContact CD1-CG1 3.98Å; I601-V675 HydrophobicContact CD1-CG2 4.04Å; I601-F717 HydrophobicContact CG2-CE1 3.96Å; I601-F717 HydrophobicContact CG2-CZ 4.02Å; I601-H721 WeakPolarHBondContact CG2-ND1 3.26Å
602	R	95.1	Very high	92.1	Very high	84 Å²	84	73.8 Å²	73.8	32%	0.317	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.2	176	176.4	177.3	177.2	173.2	-0.5	108.4	D604 E606 Y639 F717	R602-D604 HydrophobicContact CG-CB 4.33Å; R602-D604 IonicContact CZ-OD2 3.92Å; R602-D604 IonicContact NE-OD2 2.64Å; R602-D604 IonicContact NH2-OD1 3.73Å; R602-D604 IonicContact NH2-OD2 3.8Å; R602-E606 IonicContact NH2-OE2 3.57Å; R602-E606 PolarHBondContact NH2-OE2 3.36Å; R602-Y639 HydrophobicContact CB-CD2 4.07Å; R602-Y639 HydrophobicContact CB-CG 4.43Å; R602-Y639 HydrophobicContact CG-CD2 4.29Å; R602-Y639 PolarHBondContact N-O 2.67Å; R602-Y639 WeakPolarHBondContact O-CB 3.25Å; R602-Y639 PolarHBondContact O-N 3.05Å; R602-F717 HydrophobicContact CB-CE1 3.92Å; R602-F717 HydrophobicContact CB-CE2 4.44Å; R602-F717 HydrophobicContact CB-CZ 3.63Å; R602-F717 HydrophobicContact CG-CZ 4.31Å
603	R	94.5	Very high	92.2	Very high	102 Å²	102	73.4 Å²	73.4	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.5	160.6	-50	-171.2	83.9	152.2	13	106.5	Y600 Y605 P636 D638	Y600-R603 HydrophobicContact CD1-CG 4.04Å; Y600-R603 HydrophobicContact CD2-CG 4.16Å; Y600-R603 HydrophobicContact CG-CG 3.79Å; Y600-R603 PolarHBondContact OH-NH1 2.97Å; Y600-R603 PolarHBondContact OH-NH2 2.97Å; Y600-R603 VanDerWaalsContact OH-NH2 3.15Å; R603-Y605 HydrophobicContact CB-CE2 4.26Å; R603-P636 HydrophobicContact CB-CB 4.37Å; R603-D638 WeakPolarHBondContact CB-OD1 3.35Å; R603-D638 VanDerWaalsContact CG-OD1 3.31Å; R603-D638 WeakPolarHBondContact CG-OD1 3.44Å; R603-D638 IonicContact CZ-OD1 2.71Å; R603-D638 IonicContact CZ-OD2 3.11Å; R603-D638 IonicContact NE-OD1 3.54Å; R603-D638 PolarHBondContact NE-OD1 3.28Å; R603-D638 IonicContact NE-OD2 2.67Å; R603-D638 IonicContact NH2-OD1 3.38Å; R603-D638 PolarHBondContact NH2-OD1 3.08Å; R603-D638 IonicContact NH2-OD2 3.2Å; R603-D638 PolarHBondContact NH2-OD2 2.61Å
604	D	94.4	Very high	92.3	Very high	3 Å²	3	75.8 Å²	75.8	2%	0.016	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	114	-167.3	179.1	0.4	0	0	0	110.5	R602 E606 T607 P636 L637 Y639	R602-D604 HydrophobicContact CG-CB 4.33Å; R602-D604 IonicContact CZ-OD2 3.92Å; R602-D604 IonicContact NE-OD2 2.64Å; R602-D604 IonicContact NH2-OD1 3.73Å; R602-D604 IonicContact NH2-OD2 3.8Å; D604-E606 PolarHBondContact OD1-N 3.35Å; D604-T607 PolarHBondContact OD1-N 2.92Å; D604-T607 VanDerWaalsContact OD1-N 3.1Å; D604-T607 PolarHBondContact OD1-OG1 3.27Å; D604-T607 WeakPolarHBondContact OD2-CB 3.19Å; D604-T607 PolarHBondContact OD2-OG1 2.71Å; D604-P636 CarbonylContact O-C 3.47Å; D604-P636 VanDerWaalsContact O-CA 3.25Å; D604-P636 WeakPolarHBondContact O-CA 3.09Å; D604-L637 HydrophobicContact CB-CB 4.26Å; D604-L637 PolarHBondContact N-O 3.2Å; D604-L637 PolarHBondContact O-N 3.11Å; D604-Y639 HydrophobicContact CB-CD2 4.38Å; D604-Y639 HydrophobicContact CB-CE2 3.79Å
605	Y	93.2	Very high	92.2	Very high	141 Å²	141	75 Å²	75	55%	0.553	34%	0.342	S	S	*	.	S	Bend	trans	-102.4	-5.5	-179.6	-61.2	-96.1	0	0	0	112.5	R603 P636	R603-Y605 HydrophobicContact CB-CE2 4.26Å; Y605-P636 HydrophobicContact CD1-CB 3.91Å; Y605-P636 HydrophobicContact CD1-CG 4.42Å; Y605-P636 HydrophobicContact CD2-CB 4.2Å; Y605-P636 HydrophobicContact CE1-CB 3.73Å; Y605-P636 HydrophobicContact CE1-CG 3.78Å; Y605-P636 HydrophobicContact CE2-CB 4.01Å; Y605-P636 HydrophobicContact CE2-CG 4.47Å; Y605-P636 HydrophobicContact CG-CB 4.15Å
606	E	92.2	Very high	92.2	Very high	152 Å²	152	70.1 Å²	70.1	71%	0.71	33%	0.332	S	S	*	.	S	Bend	trans	-92.5	-40.7	-172.4	-62.3	162.7	173.2	0	0	111	R602 D604 K608	R602-E606 IonicContact NH2-OE2 3.57Å; R602-E606 PolarHBondContact NH2-OE2 3.36Å; D604-E606 PolarHBondContact OD1-N 3.35Å; E606-K608 WeakPolarHBondContact O-CG 3.35Å; E606-K608 PolarHBondContact O-N 3.15Å; E606-K608 VanDerWaalsContact O-N 3.09Å
607	T	92.1	Very high	92.1	Very high	32 Å²	32	69.7 Å²	69.7	20%	0.196	33%	0.327	C	S	.	.			trans	-69.9	105.3	-174.7	-64.3	0	0	0	0	111.6	D604 P609 L637 A712 I714	D604-T607 PolarHBondContact OD1-N 2.92Å; D604-T607 VanDerWaalsContact OD1-N 3.1Å; D604-T607 PolarHBondContact OD1-OG1 3.27Å; D604-T607 WeakPolarHBondContact OD2-CB 3.19Å; D604-T607 PolarHBondContact OD2-OG1 2.71Å; T607-P609 WeakPolarHBondContact O-CD 3.49Å; T607-L637 HydrophobicContact CG2-CD1 3.61Å; T607-A712 HydrophobicContact CG2-CB 3.9Å; T607-A712 WeakPolarHBondContact CG2-O 3.34Å; T607-I714 HydrophobicContact CG2-CG1 4.39Å
608	K	89.8	Confident	92	Very high	107 Å²	107	74 Å²	74	47%	0.465	35%	0.349	S	S	.	.			trans	-104.5	87.4	177	-52.4	-154.8	-177	-162.2	0	111.8	E606 Q613 D634	E606-K608 WeakPolarHBondContact O-CG 3.35Å; E606-K608 PolarHBondContact O-N 3.15Å; E606-K608 VanDerWaalsContact O-N 3.09Å; K608-Q613 HydrophobicContact CB-CG 4.3Å; K608-Q613 PolarHBondContact O-NE2 2.57Å; K608-D634 IonicContact NZ-OD2 3.64Å; K608-D634 PolarHBondContact NZ-OD2 2.94Å
609	P	92.3	Very high	91.8	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.33	C	S	.	.			trans	-69	163.1	179.5	27.4	-34.4	0	0	0	112.8	T607 K611 L612 Q613 W709 A712	T607-P609 WeakPolarHBondContact O-CD 3.49Å; P609-K611 VanDerWaalsContact C-N 3.29Å; P609-K611 PolarHBondContact O-N 3.46Å; P609-K611 VanDerWaalsContact O-N 3.12Å; P609-L612 HydrophobicContact CG-CB 4.24Å; P609-L612 HydrophobicContact CG-CD1 4.19Å; P609-L612 HydrophobicContact CG-CG 4Å; P609-L612 PolarHBondContact O-N 2.65Å; P609-Q613 PolarHBondContact O-N 3.24Å; P609-W709 HydrophobicContact CB-CE3 4.28Å; P609-W709 HydrophobicContact CG-CD2 4.36Å; P609-W709 HydrophobicContact CG-CE3 3.47Å; P609-W709 VanDerWaalsContact CG-CE3 3.47Å; P609-W709 HydrophobicContact CG-CZ3 3.85Å; P609-A712 HydrophobicContact CB-CB 3.61Å
610	P	92.3	Very high	91.9	Very high	43 Å²	43	71.1 Å²	71.1	28%	0.279	34%	0.338	S	S	.	.	H	α-helix	trans	-52.6	-39.5	-174.4	-28.8	36	0	0	0	114.7	Q613 L614 R710	P610-Q613 PolarHBondContact O-N 3.41Å; P610-L614 WeakPolarHBondContact O-CB 3.3Å; P610-L614 PolarHBondContact O-N 2.87Å; P610-R710 WeakPolarHBondContact CD-O 3.44Å
611	K	92	Very high	91.6	Very high	62 Å²	62	74.6 Å²	74.6	27%	0.27	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-39.3	175.8	-164.9	169.9	-172.5	141	0	113.5	P609 L615 E708 W709	P609-K611 VanDerWaalsContact C-N 3.29Å; P609-K611 PolarHBondContact O-N 3.46Å; P609-K611 VanDerWaalsContact O-N 3.12Å; K611-L615 HydrophobicContact CG-CD1 4.02Å; K611-L615 HydrophobicContact CG-CG 4.4Å; K611-L615 WeakPolarHBondContact O-CB 3.37Å; K611-L615 VanDerWaalsContact O-CG 3.24Å; K611-L615 WeakPolarHBondContact O-CG 3.47Å; K611-L615 PolarHBondContact O-N 3.19Å; K611-E708 HydrophobicContact CB-CB 3.99Å; K611-E708 HydrophobicContact CD-CB 4.04Å; K611-E708 WeakPolarHBondContact CD-OE2 3.18Å; K611-E708 HydrophobicContact CG-CB 4.43Å; K611-E708 PolarHBondContact N-O 3.32Å; K611-E708 IonicContact NZ-OE1 2.63Å; K611-E708 PolarHBondContact NZ-OE1 2.68Å; K611-E708 IonicContact NZ-OE2 2.65Å; K611-E708 PolarHBondContact NZ-OE2 3.22Å; K611-W709 HydrophobicContact CB-CZ2 4.42Å; K611-W709 HydrophobicContact CD-CZ2 3.98Å; K611-W709 HydrophobicContact CG-CZ2 4.46Å
612	L	90.9	Very high	91.2	Very high	15 Å²	15	79.5 Å²	79.5	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-72	-36.4	177.4	-69.7	-168.5	0	0	0	111.8	P609 L615 S616 L637 Y679 W709	P609-L612 HydrophobicContact CG-CB 4.24Å; P609-L612 HydrophobicContact CG-CD1 4.19Å; P609-L612 HydrophobicContact CG-CG 4Å; P609-L612 PolarHBondContact O-N 2.65Å; L612-L615 HydrophobicContact CD2-CD1 4.31Å; L612-L615 PolarHBondContact O-N 3.46Å; L612-S616 VanDerWaalsContact O-CB 3.3Å; L612-S616 WeakPolarHBondContact O-CB 3.43Å; L612-S616 PolarHBondContact O-N 3.25Å; L612-L637 HydrophobicContact CD1-CD2 4.14Å; L612-Y679 HydrophobicContact CD1-CD2 3.79Å; L612-Y679 HydrophobicContact CD1-CE2 3.57Å; L612-Y679 HydrophobicContact CD2-CD1 4.18Å; L612-Y679 HydrophobicContact CD2-CD2 4.17Å; L612-Y679 HydrophobicContact CD2-CE1 3.77Å; L612-Y679 HydrophobicContact CD2-CE2 3.73Å; L612-Y679 HydrophobicContact CD2-CG 4.35Å; L612-Y679 HydrophobicContact CG-CE2 4.34Å; L612-W709 HydrophobicContact CD1-CH2 4.32Å; L612-W709 HydrophobicContact CD1-CZ3 3.9Å; L612-W709 HydrophobicContact CD2-CH2 3.6Å; L612-W709 HydrophobicContact CD2-CZ3 4.01Å; L612-W709 HydrophobicContact CG-CH2 3.81Å; L612-W709 HydrophobicContact CG-CZ3 3.68Å
613	Q	91	Very high	90.7	Very high	101 Å²	101	78.7 Å²	78.7	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-49.3	172	-62.8	179.2	8.2	0	0	111	K608 P609 P610 S616 Q617	K608-Q613 HydrophobicContact CB-CG 4.3Å; K608-Q613 PolarHBondContact O-NE2 2.57Å; P609-Q613 PolarHBondContact O-N 3.24Å; P610-Q613 PolarHBondContact O-N 3.41Å; Q613-S616 PolarHBondContact O-N 3.45Å; Q613-Q617 WeakPolarHBondContact O-CG 3.31Å; Q613-Q617 PolarHBondContact O-N 2.55Å
614	L	92.4	Very high	90.3	Very high	94 Å²	94	82.6 Å²	82.6	49%	0.492	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-44.4	177.4	178.2	61.2	0	0	0	112.4	P610 S616 Q617 I618	P610-L614 WeakPolarHBondContact O-CB 3.3Å; P610-L614 PolarHBondContact O-N 2.87Å; L614-S616 VanDerWaalsContact C-N 3.33Å; L614-S616 PolarHBondContact O-N 2.83Å; L614-Q617 PolarHBondContact O-N 3.2Å; L614-I618 HydrophobicContact CD1-CD1 4.05Å; L614-I618 HydrophobicContact CD1-CG1 4.33Å; L614-I618 HydrophobicContact CG-CD1 3.94Å; L614-I618 VanDerWaalsContact O-CG1 3.29Å; L614-I618 WeakPolarHBondContact O-CG1 3.19Å; L614-I618 PolarHBondContact O-N 3.07Å
615	L	89.8	Confident	89.9	Confident	75 Å²	75	87.6 Å²	87.6	39%	0.393	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-38.6	176.8	-74	170.1	0	0	0	111.8	K611 L612 I618 R619	K611-L615 HydrophobicContact CG-CD1 4.02Å; K611-L615 HydrophobicContact CG-CG 4.4Å; K611-L615 WeakPolarHBondContact O-CB 3.37Å; K611-L615 VanDerWaalsContact O-CG 3.24Å; K611-L615 WeakPolarHBondContact O-CG 3.47Å; K611-L615 PolarHBondContact O-N 3.19Å; L612-L615 HydrophobicContact CD2-CD1 4.31Å; L612-L615 PolarHBondContact O-N 3.46Å; L615-I618 PolarHBondContact O-N 3.49Å; L615-R619 VanDerWaalsContact O-CG 3.28Å; L615-R619 WeakPolarHBondContact O-CG 3.42Å; L615-R619 PolarHBondContact O-N 3.33Å
616	S	89	Confident	89.6	Confident	53 Å²	53	84.6 Å²	84.6	37%	0.371	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-44.7	174.4	-171.5	0	0	0	0	111.7	L612 Q613 L614 I618 R619 S620	L612-S616 VanDerWaalsContact O-CB 3.3Å; L612-S616 WeakPolarHBondContact O-CB 3.43Å; L612-S616 PolarHBondContact O-N 3.25Å; Q613-S616 PolarHBondContact O-N 3.45Å; L614-S616 VanDerWaalsContact C-N 3.33Å; L614-S616 PolarHBondContact O-N 2.83Å; S616-I618 PolarHBondContact O-N 3.4Å; S616-R619 PolarHBondContact O-N 3.45Å; S616-S620 PolarHBondContact O-N 2.81Å; S616-S620 PolarHBondContact O-OG 2.84Å
617	Q	90.9	Very high	89.2	Confident	118 Å²	118	83.2 Å²	83.2	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-60.3	-41.2	174.3	-72.5	169.5	-6	0	0	112.8	Q613 L614 S620 H621	Q613-Q617 WeakPolarHBondContact O-CG 3.31Å; Q613-Q617 PolarHBondContact O-N 2.55Å; L614-Q617 PolarHBondContact O-N 3.2Å; Q617-S620 PolarHBondContact O-OG 3.24Å; Q617-H621 WeakPolarHBondContact O-CB 3.33Å; Q617-H621 PolarHBondContact O-N 2.82Å
618	I	91.6	Very high	89	Confident	102 Å²	102	89.6 Å²	89.6	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-41.3	176.1	-69.5	164.7	0	0	0	110.8	L614 L615 S616	L614-I618 HydrophobicContact CD1-CD1 4.05Å; L614-I618 HydrophobicContact CD1-CG1 4.33Å; L614-I618 HydrophobicContact CG-CD1 3.94Å; L614-I618 VanDerWaalsContact O-CG1 3.29Å; L614-I618 WeakPolarHBondContact O-CG1 3.19Å; L614-I618 PolarHBondContact O-N 3.07Å; L615-I618 PolarHBondContact O-N 3.49Å; S616-I618 PolarHBondContact O-N 3.4Å
619	R	88	Confident	88.9	Confident	79 Å²	79	87.9 Å²	87.9	30%	0.298	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-46.5	176.9	-70.5	176.7	75.2	-178.5	14.3	112.3	L615 S616 H623 W629 E632	L615-R619 VanDerWaalsContact O-CG 3.28Å; L615-R619 WeakPolarHBondContact O-CG 3.42Å; L615-R619 PolarHBondContact O-N 3.33Å; S616-R619 PolarHBondContact O-N 3.45Å; R619-H623 PolarHBondContact O-ND1 3.17Å; R619-W629 HydrophobicContact CB-CH2 4.31Å; R619-E632 IonicContact CZ-OE2 2.68Å; R619-E632 IonicContact NH1-OE2 3.8Å; R619-E632 VanDerWaalsContact NH2-CD 3.26Å; R619-E632 VanDerWaalsContact NH2-CG 3.34Å; R619-E632 IonicContact NH2-OE2 2.67Å; R619-E632 PolarHBondContact NH2-OE2 2.78Å
620	S	88.6	Confident	88.5	Confident	53 Å²	53	93.4 Å²	93.4	37%	0.371	48%	0.48	S	S	.	.	H	α-helix	trans	-73.2	-34.9	-178.5	61.6	0	0	0	0	112.5	S616 Q617 L622 H623 R624	S616-S620 PolarHBondContact O-N 2.81Å; S616-S620 PolarHBondContact O-OG 2.84Å; Q617-S620 PolarHBondContact O-OG 3.24Å; S620-L622 VanDerWaalsContact C-N 3.25Å; S620-L622 PolarHBondContact O-N 2.85Å; S620-H623 CarbonylContact O-C 3.53Å; S620-H623 PolarHBondContact O-N 2.97Å; S620-R624 PolarHBondContact O-N 3.33Å
621	H	88.5	Confident	87.9	Confident	112 Å²	112	95 Å²	95	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-60.5	-33.1	177.9	-176	-87.9	0	0	0	113	Q617 H623 R624	Q617-H621 WeakPolarHBondContact O-CB 3.33Å; Q617-H621 PolarHBondContact O-N 2.82Å; H621-H623 VanDerWaalsContact C-N 3.29Å; H621-H623 PolarHBondContact O-N 3.02Å; H621-R624 PolarHBondContact CE1-NH1 3.13Å; H621-R624 PolarHBondContact NE2-NH1 2.75Å; H621-R624 VanDerWaalsContact O-CD 3.29Å; H621-R624 WeakPolarHBondContact O-CD 3.38Å; H621-R624 VanDerWaalsContact O-CG 3.26Å; H621-R624 WeakPolarHBondContact O-CG 2.99Å
622	L	86.6	Confident	87.5	Confident	142 Å²	142	97.8 Å²	97.8	74%	0.743	51%	0.505	S	S	*	.	H	α-helix	trans	-67	-31.5	175.7	-155.6	91.6	0	0	0	112.5	S620	S620-L622 VanDerWaalsContact C-N 3.25Å; S620-L622 PolarHBondContact O-N 2.85Å
623	H	85.9	Confident	87.1	Confident	66 Å²	66	102.9 Å²	102.9	31%	0.306	54%	0.539	S	S	.	.	H	α-helix	trans	-105.5	9.9	-174.3	-54.9	94	0	0	0	113.3	R619 S620 H621 S625 D626 W629	R619-H623 PolarHBondContact O-ND1 3.17Å; S620-H623 CarbonylContact O-C 3.53Å; S620-H623 PolarHBondContact O-N 2.97Å; H621-H623 VanDerWaalsContact C-N 3.29Å; H621-H623 PolarHBondContact O-N 3.02Å; H623-S625 PolarHBondContact O-N 2.83Å; H623-D626 PolarHBondContact O-N 2.9Å; H623-W629 HydrophobicContact CB-CB 3.93Å; H623-W629 HydrophobicContact CB-CD2 3.4Å; H623-W629 VanDerWaalsContact CB-CD2 3.4Å; H623-W629 HydrophobicContact CB-CE3 3.77Å; H623-W629 HydrophobicContact CB-CG 3.47Å; H623-W629 VanDerWaalsContact CB-CG 3.47Å; H623-W629 HydrophobicContact CB-CZ2 4.5Å; H623-W629 HydrophobicContact CB-CZ3 4.44Å; H623-W629 AromaticContact CD2-CD1 3.4Å; H623-W629 AromaticContact CD2-CG 3.89Å; H623-W629 AromaticContact CD2-NE1 3.46Å; H623-W629 PolarHBondContact CD2-NE1 2.92Å; H623-W629 AromaticContact CE1-CE2 3.85Å; H623-W629 AromaticContact CE1-NE1 3.59Å; H623-W629 AromaticContact CG-CD1 3.53Å; H623-W629 AromaticContact CG-CD2 3.59Å; H623-W629 AromaticContact CG-CE2 3.46Å; H623-W629 VanDerWaalsContact CG-CE2 3.46Å; H623-W629 AromaticContact CG-CG 3.63Å; H623-W629 AromaticContact CG-NE1 3.42Å; H623-W629 AromaticContact ND1-CD2 3.93Å; H623-W629 AromaticContact ND1-CE2 3.35Å; H623-W629 AromaticContact ND1-CZ2 3.51Å; H623-W629 AromaticContact ND1-NE1 3.5Å; H623-W629 PolarHBondContact ND1-NE1 2.71Å; H623-W629 AromaticContact NE2-CD1 3.93Å; H623-W629 AromaticContact NE2-NE1 3.58Å
624	R	84.9	Confident	86.8	Confident	184 Å²	184	100.9 Å²	100.9	69%	0.694	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-4.5	-178.9	73.3	-175.9	-170.8	172.8	10.4	116.1	S620 H621	S620-R624 PolarHBondContact O-N 3.33Å; H621-R624 PolarHBondContact CE1-NH1 3.13Å; H621-R624 PolarHBondContact NE2-NH1 2.75Å; H621-R624 VanDerWaalsContact O-CD 3.29Å; H621-R624 WeakPolarHBondContact O-CD 3.38Å; H621-R624 VanDerWaalsContact O-CG 3.26Å; H621-R624 WeakPolarHBondContact O-CG 2.99Å
625	S	86.1	Confident	86.7	Confident	109 Å²	109	97.7 Å²	97.7	76%	0.762	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	3.2	-178	-58.6	0	0	0	0	113.1	H623	H623-S625 PolarHBondContact O-N 2.83Å
626	D	88.1	Confident	86.9	Confident	78 Å²	78	94.9 Å²	94.9	42%	0.417	50%	0.504	S	S	.	.			trans	-111.3	107.7	173.8	-178.5	-1.4	0	0	0	110.1	H623 H628 W629	H623-D626 PolarHBondContact O-N 2.9Å; D626-H628 PolarHBondContact O-N 3.09Å; D626-H628 PolarHBondContact OD1-N 3.07Å; D626-H628 IonicContact OD1-ND1 2.73Å; D626-W629 HydrophobicContact CB-CB 4.1Å; D626-W629 PolarHBondContact O-N 2.98Å
627	P	82.3	Confident	87.2	Confident	122 Å²	122	92.4 Å²	92.4	79%	0.792	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.2	178.8	-21.8	34.1	0	0	0	115.1
628	H	87.4	Confident	87.4	Confident	167 Å²	167	87.5 Å²	87.5	77%	0.773	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-5.8	-177.8	-58.7	90	0	0	0	112.7	D626 T630	D626-H628 PolarHBondContact O-N 3.09Å; D626-H628 PolarHBondContact OD1-N 3.07Å; D626-H628 IonicContact OD1-ND1 2.73Å; H628-T630 PolarHBondContact O-N 3.49Å
629	W	87.9	Confident	87.7	Confident	70 Å²	70	82.8 Å²	82.8	27%	0.265	44%	0.44	S	S	.	.			trans	-71.9	119.3	179.1	-176.4	83.1	0	0	0	111.5	R619 H623 D626 P631	R619-W629 HydrophobicContact CB-CH2 4.31Å; H623-W629 HydrophobicContact CB-CB 3.93Å; H623-W629 HydrophobicContact CB-CD2 3.4Å; H623-W629 VanDerWaalsContact CB-CD2 3.4Å; H623-W629 HydrophobicContact CB-CE3 3.77Å; H623-W629 HydrophobicContact CB-CG 3.47Å; H623-W629 VanDerWaalsContact CB-CG 3.47Å; H623-W629 HydrophobicContact CB-CZ2 4.5Å; H623-W629 HydrophobicContact CB-CZ3 4.44Å; H623-W629 AromaticContact CD2-CD1 3.4Å; H623-W629 AromaticContact CD2-CG 3.89Å; H623-W629 AromaticContact CD2-NE1 3.46Å; H623-W629 PolarHBondContact CD2-NE1 2.92Å; H623-W629 AromaticContact CE1-CE2 3.85Å; H623-W629 AromaticContact CE1-NE1 3.59Å; H623-W629 AromaticContact CG-CD1 3.53Å; H623-W629 AromaticContact CG-CD2 3.59Å; H623-W629 AromaticContact CG-CE2 3.46Å; H623-W629 VanDerWaalsContact CG-CE2 3.46Å; H623-W629 AromaticContact CG-CG 3.63Å; H623-W629 AromaticContact CG-NE1 3.42Å; H623-W629 AromaticContact ND1-CD2 3.93Å; H623-W629 AromaticContact ND1-CE2 3.35Å; H623-W629 AromaticContact ND1-CZ2 3.51Å; H623-W629 AromaticContact ND1-NE1 3.5Å; H623-W629 PolarHBondContact ND1-NE1 2.71Å; H623-W629 AromaticContact NE2-CD1 3.93Å; H623-W629 AromaticContact NE2-NE1 3.58Å; D626-W629 HydrophobicContact CB-CB 4.1Å; D626-W629 PolarHBondContact O-N 2.98Å; W629-P631 HydrophobicContact CH2-CB 3.72Å; W629-P631 HydrophobicContact CZ2-CB 4.31Å; W629-P631 HydrophobicContact CZ3-CB 4.05Å; W629-P631 HydrophobicContact CZ3-CG 4.46Å
630	T	83.6	Confident	88.1	Confident	116 Å²	116	79 Å²	79	71%	0.712	43%	0.426	S	S	*	.			trans	-107.5	139	168	51.1	0	0	0	0	110.1	H628	H628-T630 PolarHBondContact O-N 3.49Å
631	P	81.6	Confident	88.4	Confident	78 Å²	78	78 Å²	78	51%	0.506	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-68.1	142.7	174.5	28.1	-33.8	0	0	0	110.8	W629	W629-P631 HydrophobicContact CH2-CB 3.72Å; W629-P631 HydrophobicContact CZ2-CB 4.31Å; W629-P631 HydrophobicContact CZ3-CB 4.05Å; W629-P631 HydrophobicContact CZ3-CG 4.46Å
632	E	82.4	Confident	88.7	Confident	119 Å²	119	72.8 Å²	72.8	56%	0.556	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-56	148	166.7	-63.9	174.3	147	0	0	110.8	R619 D634	R619-E632 IonicContact CZ-OE2 2.68Å; R619-E632 IonicContact NH1-OE2 3.8Å; R619-E632 VanDerWaalsContact NH2-CD 3.26Å; R619-E632 VanDerWaalsContact NH2-CG 3.34Å; R619-E632 IonicContact NH2-OE2 2.67Å; R619-E632 PolarHBondContact NH2-OE2 2.78Å; E632-D634 PolarHBondContact O-N 3.18Å
633	P	83.1	Confident	89	Confident	122 Å²	122	66.6 Å²	66.6	79%	0.792	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-50.2	137.1	174.4	-28.2	35.3	0	0	0	113.7	A635	P633-A635 PolarHBondContact O-N 3.44Å
634	D	83.9	Confident	89.2	Confident	60 Å²	60	66.7 Å²	66.7	32%	0.321	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-64.9	127.1	173	-83.6	-38	0	0	0	110.2	K608 E632	K608-D634 IonicContact NZ-OD2 3.64Å; K608-D634 PolarHBondContact NZ-OD2 2.94Å; E632-D634 PolarHBondContact O-N 3.18Å
635	A	90.3	Very high	89.4	Confident	26 Å²	26	62 Å²	62	22%	0.215	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-76.1	147.9	174	0	0	0	0	0	111.1	P633 Y679 K680	P633-A635 PolarHBondContact O-N 3.44Å; A635-Y679 HydrophobicContact CB-CE2 3.93Å; A635-Y679 WeakPolarHBondContact O-CE2 3.44Å; A635-K680 HydrophobicContact CB-CD 4.23Å; A635-K680 VanDerWaalsContact CB-CE 3.45Å; A635-K680 HydrophobicContact CB-CG 3.7Å
636	P	94.3	Very high	89.7	Confident	16 Å²	16	57 Å²	57	10%	0.104	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-71.3	162.2	-176.5	29.1	-34.4	0	0	0	113	R603 D604 Y605 D638	R603-P636 HydrophobicContact CB-CB 4.37Å; D604-P636 CarbonylContact O-C 3.47Å; D604-P636 VanDerWaalsContact O-CA 3.25Å; D604-P636 WeakPolarHBondContact O-CA 3.09Å; Y605-P636 HydrophobicContact CD1-CB 3.91Å; Y605-P636 HydrophobicContact CD1-CG 4.42Å; Y605-P636 HydrophobicContact CD2-CB 4.2Å; Y605-P636 HydrophobicContact CE1-CB 3.73Å; Y605-P636 HydrophobicContact CE1-CG 3.78Å; Y605-P636 HydrophobicContact CE2-CB 4.01Å; Y605-P636 HydrophobicContact CE2-CG 4.47Å; Y605-P636 HydrophobicContact CG-CB 4.15Å; P636-D638 WeakPolarHBondContact CG-OD1 3.3Å
637	L	95.5	Very high	90	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.6	154	-46.4	-174.8	0	0	0	107.9	D604 T607 L612 Y639 V677 L678 Y679 I684 W709 I714	D604-L637 HydrophobicContact CB-CB 4.26Å; D604-L637 PolarHBondContact N-O 3.2Å; D604-L637 PolarHBondContact O-N 3.11Å; T607-L637 HydrophobicContact CG2-CD1 3.61Å; L612-L637 HydrophobicContact CD1-CD2 4.14Å; L637-Y639 HydrophobicContact CB-CE2 4.06Å; L637-V677 HydrophobicContact CB-CG1 4.27Å; L637-L678 CarbonylContact C-O 3.45Å; L637-L678 WeakPolarHBondContact CA-O 3.04Å; L637-Y679 HydrophobicContact CD2-CD2 3.99Å; L637-I684 HydrophobicContact CD2-CD1 3.95Å; L637-W709 HydrophobicContact CD2-CE3 4.49Å; L637-W709 HydrophobicContact CD2-CZ3 3.94Å; L637-I714 HydrophobicContact CD1-CD1 3.98Å; L637-I714 HydrophobicContact CD1-CG1 4.23Å
638	D	95.6	Very high	90.5	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	109.3	-180	-77.6	-23.5	0	0	0	109.9	Y600 R603 P636 V677 L678	Y600-D638 HydrophobicContact CD1-CB 3.92Å; Y600-D638 HydrophobicContact CE1-CB 3.88Å; R603-D638 WeakPolarHBondContact CB-OD1 3.35Å; R603-D638 VanDerWaalsContact CG-OD1 3.31Å; R603-D638 WeakPolarHBondContact CG-OD1 3.44Å; R603-D638 IonicContact CZ-OD1 2.71Å; R603-D638 IonicContact CZ-OD2 3.11Å; R603-D638 IonicContact NE-OD1 3.54Å; R603-D638 PolarHBondContact NE-OD1 3.28Å; R603-D638 IonicContact NE-OD2 2.67Å; R603-D638 IonicContact NH2-OD1 3.38Å; R603-D638 PolarHBondContact NH2-OD1 3.08Å; R603-D638 IonicContact NH2-OD2 3.2Å; R603-D638 PolarHBondContact NH2-OD2 2.61Å; P636-D638 WeakPolarHBondContact CG-OD1 3.3Å; D638-V677 WeakPolarHBondContact O-CA 3.25Å; D638-L678 PolarHBondContact N-O 3.26Å; D638-L678 PolarHBondContact O-N 2.92Å
639	Y	97.3	Very high	90.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.2	171.8	-60	-103.4	0	0	0	108.1	Y600 I601 R602 D604 L637 V675 V677 I714 F717	Y600-Y639 CarbonylContact C-O 3.56Å; Y600-Y639 WeakPolarHBondContact CA-O 3.43Å; I601-Y639 PolarHBondContact N-O 2.94Å; R602-Y639 HydrophobicContact CB-CD2 4.07Å; R602-Y639 HydrophobicContact CB-CG 4.43Å; R602-Y639 HydrophobicContact CG-CD2 4.29Å; R602-Y639 PolarHBondContact N-O 2.67Å; R602-Y639 WeakPolarHBondContact O-CB 3.25Å; R602-Y639 PolarHBondContact O-N 3.05Å; D604-Y639 HydrophobicContact CB-CD2 4.38Å; D604-Y639 HydrophobicContact CB-CE2 3.79Å; L637-Y639 HydrophobicContact CB-CE2 4.06Å; Y639-V675 HydrophobicContact CD1-CG1 4.01Å; Y639-V677 HydrophobicContact CD1-CB 4.22Å; Y639-V677 HydrophobicContact CD1-CG1 3.83Å; Y639-V677 HydrophobicContact CD1-CG2 3.41Å; Y639-V677 VanDerWaalsContact CD1-CG2 3.41Å; Y639-V677 HydrophobicContact CD2-CG1 4.24Å; Y639-V677 HydrophobicContact CE1-CB 4.38Å; Y639-V677 HydrophobicContact CE1-CG1 3.79Å; Y639-V677 HydrophobicContact CE1-CG2 3.62Å; Y639-V677 HydrophobicContact CE2-CG1 4.21Å; Y639-V677 HydrophobicContact CG-CG1 4.07Å; Y639-V677 HydrophobicContact CG-CG2 4.26Å; Y639-I714 HydrophobicContact CE1-CG2 3.95Å; Y639-F717 AromaticContact CD1-CD1 3.42Å; Y639-F717 HydrophobicContact CD1-CD1 3.42Å; Y639-F717 VanDerWaalsContact CD1-CD1 3.42Å; Y639-F717 AromaticContact CD1-CE1 3.82Å; Y639-F717 HydrophobicContact CD1-CE1 3.82Å; Y639-F717 HydrophobicContact CD2-CD1 4.45Å; Y639-F717 HydrophobicContact CD2-CE1 4.45Å; Y639-F717 HydrophobicContact CE1-CB 4.21Å; Y639-F717 AromaticContact CE1-CD1 3.5Å; Y639-F717 HydrophobicContact CE1-CD1 3.5Å; Y639-F717 VanDerWaalsContact CE1-CD1 3.5Å; Y639-F717 HydrophobicContact CE1-CE1 4.3Å; Y639-F717 HydrophobicContact CE1-CG 4.2Å; Y639-F717 HydrophobicContact CE2-CD1 4.5Å; Y639-F717 AromaticContact CG-CD1 3.94Å; Y639-F717 HydrophobicContact CG-CD1 3.94Å; Y639-F717 AromaticContact CG-CE1 3.91Å; Y639-F717 HydrophobicContact CG-CE1 3.91Å
640	C	95.6	Very high	91.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	166.8	178.7	69.6	0	0	0	0	111.7	P599 Y600 H646 V676 L678	P599-C640 WeakPolarHBondContact O-CB 3.16Å; Y600-C640 HydrophobicContact CD1-CB 4.42Å; C640-H646 VanDerWaalsContact SG-CE1 3.57Å; C640-V676 PolarHBondContact N-O 3.43Å; C640-V676 PolarHBondContact O-N 2.97Å; C640-L678 VanDerWaalsContact SG-CD1 3.55Å
641	Y	96.4	Very high	91.8	Very high	31 Å²	31	38.6 Å²	38.6	12%	0.122	23%	0.225	C	C	.	.			trans	-71.3	160.8	172.5	-55.9	-77.8	0	0	0	111.6	L597 I601 P671 S674 H721	L597-Y641 HydrophobicContact CB-CD2 3.71Å; L597-Y641 HydrophobicContact CB-CE2 3.72Å; L597-Y641 HydrophobicContact CB-CG 4.41Å; L597-Y641 HydrophobicContact CD1-CD1 3.91Å; L597-Y641 HydrophobicContact CD1-CD2 3.81Å; L597-Y641 HydrophobicContact CD1-CE1 4.28Å; L597-Y641 HydrophobicContact CD1-CE2 4.21Å; L597-Y641 HydrophobicContact CD1-CG 3.63Å; L597-Y641 HydrophobicContact CD2-CE1 4.39Å; L597-Y641 HydrophobicContact CD2-CE2 4.25Å; L597-Y641 HydrophobicContact CG-CD2 4.26Å; L597-Y641 HydrophobicContact CG-CE2 4.28Å; I601-Y641 HydrophobicContact CD1-CD1 3.85Å; I601-Y641 HydrophobicContact CD1-CD2 4.44Å; I601-Y641 HydrophobicContact CD1-CE1 3.8Å; I601-Y641 HydrophobicContact CD1-CE2 4.37Å; I601-Y641 HydrophobicContact CD1-CG 4.21Å; I601-Y641 HydrophobicContact CG1-CD1 4.11Å; I601-Y641 HydrophobicContact CG1-CD2 4Å; I601-Y641 HydrophobicContact CG1-CE1 3.73Å; I601-Y641 HydrophobicContact CG1-CE2 3.58Å; I601-Y641 HydrophobicContact CG1-CG 4.27Å; I601-Y641 VanDerWaalsContact CG1-CZ 3.46Å; Y641-P671 WeakPolarHBondContact CD1-O 3.37Å; Y641-S674 WeakPolarHBondContact CD1-O 3.32Å; Y641-H721 AromaticContact CE1-NE2 3.64Å
642	V	95.2	Very high	92.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	23%	0.225	C	C	.	.			trans	-63.6	139.1	176.6	71.5	0	0	0	0	111.8	I647 L668 P671 S674 V676 F688	V642-I647 HydrophobicContact CG2-CD1 3.6Å; V642-L668 HydrophobicContact CG1-CD2 4.21Å; V642-L668 HydrophobicContact CG2-CD2 4.14Å; V642-P671 HydrophobicContact CG1-CB 3.9Å; V642-S674 WeakPolarHBondContact CB-OG 3.26Å; V642-S674 VanDerWaalsContact CG1-OG 3.25Å; V642-S674 WeakPolarHBondContact CG1-OG 3.48Å; V642-S674 PolarHBondContact N-OG 3.42Å; V642-V676 HydrophobicContact CB-CG2 4.09Å; V642-V676 HydrophobicContact CG2-CG2 4.27Å; V642-F688 HydrophobicContact CB-CE1 3.77Å; V642-F688 HydrophobicContact CB-CZ 4.22Å; V642-F688 HydrophobicContact CG1-CE1 4.09Å; V642-F688 HydrophobicContact CG2-CE1 3.78Å; V642-F688 HydrophobicContact CG2-CZ 3.85Å
643	R	92.1	Very high	92.9	Very high	13 Å²	13	33.7 Å²	33.7	5%	0.049	20%	0.203	C	C	.	.			trans	-130.6	155.9	177.4	-64.3	179.1	-170.4	-108.2	-10.7	109.5	A583 V584 Q586 P599 N645 H646	A583-R643 PolarHBondContact O-NH1 2.88Å; V584-R643 PolarHBondContact O-NH1 2.88Å; V584-R643 PolarHBondContact O-NH2 3.44Å; Q586-R643 PolarHBondContact O-NH1 2.95Å; Q586-R643 PolarHBondContact O-NH2 3.02Å; P599-R643 PolarHBondContact O-NH2 2.71Å; P599-R643 VanDerWaalsContact O-NH2 3.1Å; R643-N645 WeakPolarHBondContact CB-OD1 3.32Å; R643-N645 PolarHBondContact O-N 3.08Å; R643-N645 VanDerWaalsContact O-N 3.1Å; R643-H646 PolarHBondContact N-ND1 3.48Å; R643-H646 WeakPolarHBondContact O-CB 3.46Å; R643-H646 PolarHBondContact O-N 2.87Å
644	P	90.1	Very high	93.5	Very high	67 Å²	67	27.9 Å²	27.9	44%	0.435	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.4	-175.4	-25.7	35	0	0	0	115.5	F565 L668	F565-P644 HydrophobicContact CE1-CB 4.09Å; F565-P644 HydrophobicContact CZ-CB 4.23Å; P644-L668 HydrophobicContact CB-CD1 4.23Å; P644-L668 HydrophobicContact CG-CD1 4.18Å; P644-L668 HydrophobicContact CG-CD2 4.12Å
645	N	88.3	Confident	93.8	Very high	86 Å²	86	29.7 Å²	29.7	46%	0.46	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.9	173	61.7	-44.2	0	0	0	113.5	R643	R643-N645 WeakPolarHBondContact CB-OD1 3.32Å; R643-N645 PolarHBondContact O-N 3.08Å; R643-N645 VanDerWaalsContact O-N 3.1Å
646	H	93.8	Very high	93.8	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.023	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-31.5	179.4	-56.5	165.7	0	0	0	112.1	C640 R643 T649 I650 I683	C640-H646 VanDerWaalsContact SG-CE1 3.57Å; R643-H646 PolarHBondContact N-ND1 3.48Å; R643-H646 WeakPolarHBondContact O-CB 3.46Å; R643-H646 PolarHBondContact O-N 2.87Å; H646-T649 PolarHBondContact O-N 3.37Å; H646-I650 HydrophobicContact CB-CD1 3.81Å; H646-I650 HydrophobicContact CB-CG1 4.47Å; H646-I650 WeakPolarHBondContact O-CB 3.26Å; H646-I650 WeakPolarHBondContact O-CG1 3.48Å; H646-I650 PolarHBondContact O-N 2.81Å; H646-I683 HydrophobicContact CB-CD1 3.8Å
647	I	94.1	Very high	93.7	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-54.6	-44.8	-173	-58.7	-57.9	0	0	0	114.2	V642 T649 I650 N651 S665 L668	V642-I647 HydrophobicContact CG2-CD1 3.6Å; I647-T649 PolarHBondContact O-N 3.5Å; I647-I650 PolarHBondContact O-N 3Å; I647-N651 VanDerWaalsContact O-CB 3.29Å; I647-N651 WeakPolarHBondContact O-CB 3.31Å; I647-N651 VanDerWaalsContact O-CG 3.23Å; I647-N651 PolarHBondContact O-N 2.84Å; I647-N651 PolarHBondContact O-OD1 3.04Å; I647-S665 WeakPolarHBondContact CG2-OG 3.42Å; I647-L668 HydrophobicContact CD1-CD2 4.1Å; I647-L668 HydrophobicContact CD1-CG 4.16Å; I647-L668 HydrophobicContact CG1-CD1 4.03Å; I647-L668 HydrophobicContact CG1-CD2 3.95Å; I647-L668 HydrophobicContact CG1-CG 4.02Å
648	P	92.5	Very high	93.5	Very high	67 Å²	67	39.6 Å²	39.6	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-42.5	-179.6	-23.9	35.4	0	0	0	113.1	S652	P648-S652 PolarHBondContact O-N 3.35Å; P648-S652 VanDerWaalsContact O-N 3.12Å
649	T	94.6	Very high	93.1	Very high	69 Å²	69	39.5 Å²	39.5	42%	0.423	21%	0.209	S	C	.	.	H	α-helix	trans	-70.1	-44.5	178.4	-53.4	0	0	0	0	111.2	H646 I647 S652 M653 I683	H646-T649 PolarHBondContact O-N 3.37Å; I647-T649 PolarHBondContact O-N 3.5Å; T649-S652 WeakPolarHBondContact O-CB 3.48Å; T649-S652 PolarHBondContact O-N 2.92Å; T649-M653 WeakPolarHBondContact O-CG 3.29Å; T649-M653 PolarHBondContact O-N 2.83Å; T649-I683 HydrophobicContact CG2-CB 4.41Å; T649-I683 HydrophobicContact CG2-CD1 4.14Å; T649-I683 HydrophobicContact CG2-CG1 4.48Å
650	I	96.4	Very high	92.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-46.1	177.3	-71.2	176.4	0	0	0	110.8	H646 I647 S652 M653 C654 L664 V676 I683 F686 F688	H646-I650 HydrophobicContact CB-CD1 3.81Å; H646-I650 HydrophobicContact CB-CG1 4.47Å; H646-I650 WeakPolarHBondContact O-CB 3.26Å; H646-I650 WeakPolarHBondContact O-CG1 3.48Å; H646-I650 PolarHBondContact O-N 2.81Å; I647-I650 PolarHBondContact O-N 3Å; I650-S652 VanDerWaalsContact C-N 3.28Å; I650-S652 PolarHBondContact O-N 2.82Å; I650-M653 PolarHBondContact O-N 2.82Å; I650-C654 WeakPolarHBondContact O-CB 3.32Å; I650-C654 PolarHBondContact O-N 3.16Å; I650-C654 PolarHBondContact O-SG 2.83Å; I650-C654 VanDerWaalsContact O-SG 3.4Å; I650-L664 HydrophobicContact CG2-CD1 3.81Å; I650-L664 HydrophobicContact CG2-CG 4.48Å; I650-V676 HydrophobicContact CD1-CG1 4.12Å; I650-V676 HydrophobicContact CD1-CG2 3.76Å; I650-I683 HydrophobicContact CD1-CD1 4.26Å; I650-I683 HydrophobicContact CG1-CD1 3.88Å; I650-I683 HydrophobicContact CG1-CG2 4.41Å; I650-F686 HydrophobicContact CD1-CB 4.32Å; I650-F686 HydrophobicContact CD1-CG 4.48Å; I650-F686 HydrophobicContact CG1-CD1 4.05Å; I650-F686 HydrophobicContact CG1-CE1 4.49Å; I650-F686 HydrophobicContact CG1-CG 4.46Å; I650-F686 HydrophobicContact CG2-CD1 4.2Å; I650-F686 HydrophobicContact CG2-CD2 4.32Å; I650-F686 HydrophobicContact CG2-CE1 4.12Å; I650-F686 HydrophobicContact CG2-CE2 4.23Å; I650-F686 HydrophobicContact CG2-CG 4.3Å; I650-F686 HydrophobicContact CG2-CZ 4.13Å; I650-F688 HydrophobicContact CD1-CE2 4.17Å; I650-F688 HydrophobicContact CD1-CZ 3.91Å; I650-F688 HydrophobicContact CG2-CE2 3.9Å; I650-F688 HydrophobicContact CG2-CZ 4.37Å
651	N	94.4	Very high	92	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-36.8	176	-73.3	-1	0	0	0	111.9	I647 C654 Q655 D663 L664	I647-N651 VanDerWaalsContact O-CB 3.29Å; I647-N651 WeakPolarHBondContact O-CB 3.31Å; I647-N651 VanDerWaalsContact O-CG 3.23Å; I647-N651 PolarHBondContact O-N 2.84Å; I647-N651 PolarHBondContact O-OD1 3.04Å; N651-C654 PolarHBondContact O-N 2.86Å; N651-Q655 VanDerWaalsContact O-CG 3.24Å; N651-Q655 WeakPolarHBondContact O-CG 3.43Å; N651-Q655 PolarHBondContact O-N 2.84Å; N651-D663 PolarHBondContact ND2-OD1 3.46Å; N651-L664 PolarHBondContact OD1-N 2.91Å
652	S	93.7	Very high	91.7	Very high	72 Å²	72	43.2 Å²	43.2	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-47.4	173.8	-162	0	0	0	0	111.6	P648 T649 I650 C654 Q655 E656	P648-S652 PolarHBondContact O-N 3.35Å; P648-S652 VanDerWaalsContact O-N 3.12Å; T649-S652 WeakPolarHBondContact O-CB 3.48Å; T649-S652 PolarHBondContact O-N 2.92Å; I650-S652 VanDerWaalsContact C-N 3.28Å; I650-S652 PolarHBondContact O-N 2.82Å; S652-C654 VanDerWaalsContact C-N 3.31Å; S652-C654 PolarHBondContact O-N 2.9Å; S652-Q655 PolarHBondContact O-N 2.7Å; S652-E656 PolarHBondContact O-N 2.68Å; S652-E656 VanDerWaalsContact O-N 3.09Å
653	M	94.9	Very high	91.5	Very high	22 Å²	22	45.7 Å²	45.7	11%	0.108	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-37.5	175.5	-67	179	121.7	0	0	112.1	T649 I650 Q655 E656 F657 I683 F686 F704	T649-M653 WeakPolarHBondContact O-CG 3.29Å; T649-M653 PolarHBondContact O-N 2.83Å; I650-M653 PolarHBondContact O-N 2.82Å; M653-Q655 VanDerWaalsContact C-N 3.35Å; M653-E656 PolarHBondContact O-N 2.85Å; M653-F657 HydrophobicContact CB-CD2 4.47Å; M653-F657 WeakPolarHBondContact O-CB 3.48Å; M653-F657 WeakPolarHBondContact O-CD2 3.44Å; M653-F657 PolarHBondContact O-N 3.08Å; M653-I683 WeakPolarHBondContact CE-O 3.37Å; M653-I683 HydrophobicContact SD-CG2 4.21Å; M653-F686 HydrophobicContact CB-CE1 4.03Å; M653-F686 HydrophobicContact SD-CE1 4.13Å; M653-F704 HydrophobicContact CE-CE1 4.01Å; M653-F704 HydrophobicContact SD-CE1 4.37Å
654	C	94.2	Very high	91.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-39.9	174.3	-76.9	0	0	0	0	112.3	I650 N651 S652 E656 F658 W659 I662 F686	I650-C654 WeakPolarHBondContact O-CB 3.32Å; I650-C654 PolarHBondContact O-N 3.16Å; I650-C654 PolarHBondContact O-SG 2.83Å; I650-C654 VanDerWaalsContact O-SG 3.4Å; N651-C654 PolarHBondContact O-N 2.86Å; S652-C654 VanDerWaalsContact C-N 3.31Å; S652-C654 PolarHBondContact O-N 2.9Å; C654-E656 VanDerWaalsContact C-N 3.31Å; C654-E656 PolarHBondContact O-N 2.65Å; C654-F658 WeakPolarHBondContact O-CA 3.4Å; C654-F658 WeakPolarHBondContact O-CB 3.49Å; C654-F658 PolarHBondContact O-N 3.39Å; C654-W659 PolarHBondContact O-N 3.47Å; C654-I662 HydrophobicContact CB-CB 3.88Å; C654-I662 HydrophobicContact CB-CD1 3.75Å; C654-I662 HydrophobicContact CB-CG1 4.43Å; C654-I662 HydrophobicContact CB-CG2 3.73Å; C654-F686 VanDerWaalsContact SG-CZ 3.56Å
655	Q	90.1	Very high	91.6	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	24%	0.244	S	C	.	.	H	α-helix	trans	-72.9	-23.9	178.9	-69	170.5	28.4	0	0	113.1	N651 S652 M653 I662	N651-Q655 VanDerWaalsContact O-CG 3.24Å; N651-Q655 WeakPolarHBondContact O-CG 3.43Å; N651-Q655 PolarHBondContact O-N 2.84Å; S652-Q655 PolarHBondContact O-N 2.7Å; M653-Q655 VanDerWaalsContact C-N 3.35Å; Q655-I662 PolarHBondContact NE2-O 2.91Å
656	E	90.9	Very high	91.6	Very high	140 Å²	140	42.1 Å²	42.1	65%	0.654	24%	0.235	S	C	*	.	H	α-helix	trans	-85.8	-44.8	176.4	-176.6	178.1	-170.9	0	0	113.1	S652 M653 C654	S652-E656 PolarHBondContact O-N 2.68Å; S652-E656 VanDerWaalsContact O-N 3.09Å; M653-E656 PolarHBondContact O-N 2.85Å; C654-E656 VanDerWaalsContact C-N 3.31Å; C654-E656 PolarHBondContact O-N 2.65Å
657	F	91.4	Very high	91.5	Very high	63 Å²	63	41.9 Å²	41.9	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-107.7	1.4	-170.1	-66.8	-79.3	0	0	0	115.4	M653 F704 H706 P707	M653-F657 HydrophobicContact CB-CD2 4.47Å; M653-F657 WeakPolarHBondContact O-CB 3.48Å; M653-F657 WeakPolarHBondContact O-CD2 3.44Å; M653-F657 PolarHBondContact O-N 3.08Å; F657-F704 HydrophobicContact CB-CD2 4.2Å; F657-F704 HydrophobicContact CB-CE2 3.48Å; F657-F704 VanDerWaalsContact CB-CE2 3.48Å; F657-F704 HydrophobicContact CB-CZ 4.04Å; F657-F704 AromaticContact CD1-CE2 3.95Å; F657-F704 HydrophobicContact CD1-CE2 3.95Å; F657-F704 HydrophobicContact CD1-CZ 4.08Å; F657-F704 HydrophobicContact CD2-CE1 4.38Å; F657-F704 AromaticContact CD2-CE2 3.88Å; F657-F704 HydrophobicContact CD2-CE2 3.88Å; F657-F704 AromaticContact CD2-CZ 3.49Å; F657-F704 HydrophobicContact CD2-CZ 3.49Å; F657-F704 VanDerWaalsContact CD2-CZ 3.49Å; F657-F704 HydrophobicContact CE1-CZ 4.43Å; F657-F704 AromaticContact CE2-CZ 3.9Å; F657-F704 HydrophobicContact CE2-CZ 3.9Å; F657-F704 AromaticContact CG-CE2 3.5Å; F657-F704 HydrophobicContact CG-CE2 3.5Å; F657-F704 VanDerWaalsContact CG-CE2 3.5Å; F657-F704 AromaticContact CG-CZ 3.6Å; F657-F704 HydrophobicContact CG-CZ 3.6Å; F657-F704 HydrophobicContact CZ-CZ 4.35Å; F657-H706 AromaticContact CE2-CD2 3.91Å; F657-H706 AromaticContact CZ-CD2 3.72Å; F657-H706 AromaticContact CZ-NE2 3.56Å; F657-P707 HydrophobicContact CE1-CG 4.05Å
658	F	91.3	Very high	91.4	Very high	48 Å²	48	43.4 Å²	43.4	21%	0.211	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-83.2	174.7	-64.5	-105.4	0	0	0	110.9	C654 I662 F686 F702 F704 Y764	C654-F658 WeakPolarHBondContact O-CA 3.4Å; C654-F658 WeakPolarHBondContact O-CB 3.49Å; C654-F658 PolarHBondContact O-N 3.39Å; F658-I662 HydrophobicContact CB-CD1 3.7Å; F658-I662 HydrophobicContact CG-CD1 4.49Å; F658-F686 HydrophobicContact CE2-CZ 4.31Å; F658-F702 HydrophobicContact CD1-CD1 4.14Å; F658-F702 HydrophobicContact CD1-CE1 4.35Å; F658-F702 AromaticContact CE1-CD1 3.96Å; F658-F702 HydrophobicContact CE1-CD1 3.96Å; F658-F702 HydrophobicContact CZ-CD1 4.25Å; F658-F704 HydrophobicContact CE2-CB 3.97Å; F658-F704 AromaticContact CE2-CD2 3.73Å; F658-F704 HydrophobicContact CE2-CD2 3.73Å; F658-F704 HydrophobicContact CE2-CG 4.1Å; F658-F704 HydrophobicContact CZ-CB 4.04Å; F658-F704 HydrophobicContact CZ-CD2 4.21Å; F658-Y764 WeakPolarHBondContact O-CE1 3.39Å
659	W	89.3	Confident	91.2	Very high	14 Å²	14	45.2 Å²	45.2	5%	0.053	24%	0.244	C	C	.	.			trans	-160.1	152.7	178.6	57.2	83.4	0	0	0	111.9	L552 C654 I662 F702 Y760 Y763 Y764	L552-W659 HydrophobicContact CD1-CH2 4.21Å; C654-W659 PolarHBondContact O-N 3.47Å; W659-I662 HydrophobicContact CD2-CD1 3.86Å; W659-I662 HydrophobicContact CD2-CG1 4.37Å; W659-I662 HydrophobicContact CG-CD1 3.96Å; W659-I662 HydrophobicContact CG-CG1 4.23Å; W659-I662 HydrophobicContact CZ2-CD1 4.11Å; W659-I662 HydrophobicContact CZ2-CG1 4.37Å; W659-I662 WeakPolarHBondContact O-CD1 3.28Å; W659-I662 WeakPolarHBondContact O-CG1 3.41Å; W659-F702 AromaticContact CH2-CE1 3.98Å; W659-F702 HydrophobicContact CH2-CE1 3.98Å; W659-F702 HydrophobicContact CH2-CZ 4.43Å; W659-F702 AromaticContact CZ2-CE1 3.96Å; W659-F702 HydrophobicContact CZ2-CE1 3.96Å; W659-F702 HydrophobicContact CZ2-CZ 4.07Å; W659-Y760 HydrophobicContact CH2-CD1 4.33Å; W659-Y760 HydrophobicContact CH2-CE1 4.17Å; W659-Y760 AromaticContact CZ3-CD1 3.86Å; W659-Y760 HydrophobicContact CZ3-CD1 3.86Å; W659-Y760 AromaticContact CZ3-CE1 3.86Å; W659-Y760 HydrophobicContact CZ3-CE1 3.86Å; W659-Y763 HydrophobicContact CD2-CD1 4.47Å; W659-Y763 HydrophobicContact CD2-CG 4.43Å; W659-Y763 AromaticContact CE2-CD1 3.64Å; W659-Y763 AromaticContact CZ2-CD1 3.68Å; W659-Y763 HydrophobicContact CZ2-CD1 3.68Å; W659-Y763 HydrophobicContact CZ2-CE1 4.33Å; W659-Y763 HydrophobicContact CZ2-CG 4.18Å; W659-Y763 AromaticContact NE1-CD1 3.64Å; W659-Y764 HydrophobicContact CB-CD1 4.34Å; W659-Y764 HydrophobicContact CE3-CE1 4.39Å
660	P	85.6	Confident	91.1	Very high	83 Å²	83	42.3 Å²	42.3	54%	0.539	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	148.5	-179.4	26.1	-35.5	0	0	0	112.6
661	G	83.6	Confident	91	Very high	28 Å²	28	42.5 Å²	42.5	29%	0.289	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	7.8	174.4	0	0	0	0	0	116.1	T557	T557-G661 WeakPolarHBondContact CB-O 3.47Å; T557-G661 PolarHBondContact N-O 2.8Å; T557-G661 PolarHBondContact OG1-O 2.86Å
662	I	90.1	Very high	91	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-68.6	133.4	169.3	-62.1	164.9	0	0	0	110.6	Y555 C654 Q655 F658 W659 L664 F702	Y555-I662 WeakPolarHBondContact O-CA 3.37Å; C654-I662 HydrophobicContact CB-CB 3.88Å; C654-I662 HydrophobicContact CB-CD1 3.75Å; C654-I662 HydrophobicContact CB-CG1 4.43Å; C654-I662 HydrophobicContact CB-CG2 3.73Å; Q655-I662 PolarHBondContact NE2-O 2.91Å; F658-I662 HydrophobicContact CB-CD1 3.7Å; F658-I662 HydrophobicContact CG-CD1 4.49Å; W659-I662 HydrophobicContact CD2-CD1 3.86Å; W659-I662 HydrophobicContact CD2-CG1 4.37Å; W659-I662 HydrophobicContact CG-CD1 3.96Å; W659-I662 HydrophobicContact CG-CG1 4.23Å; W659-I662 HydrophobicContact CZ2-CD1 4.11Å; W659-I662 HydrophobicContact CZ2-CG1 4.37Å; W659-I662 WeakPolarHBondContact O-CD1 3.28Å; W659-I662 WeakPolarHBondContact O-CG1 3.41Å; I662-L664 HydrophobicContact CG2-CD2 3.54Å; I662-L664 HydrophobicContact CG2-CG 3.87Å; I662-F702 HydrophobicContact CD1-CE1 3.92Å; I662-F702 HydrophobicContact CD1-CZ 4.36Å; I662-F702 HydrophobicContact CG2-CE1 4.45Å; I662-F702 HydrophobicContact CG2-CZ 4.11Å
663	D	90.7	Very high	91.1	Very high	55 Å²	55	38.9 Å²	38.9	29%	0.294	20%	0.201	S	C	.	.			trans	-130.6	115.2	164.8	-178.5	11.8	0	0	0	111.2	Y555 N651 S665	Y555-D663 WeakPolarHBondContact CD1-O 3.24Å; Y555-D663 PolarHBondContact O-N 2.87Å; N651-D663 PolarHBondContact ND2-OD1 3.46Å; D663-S665 WeakPolarHBondContact OD1-CB 3.37Å; D663-S665 PolarHBondContact OD1-N 2.94Å; D663-S665 PolarHBondContact OD1-OG 2.87Å; D663-S665 PolarHBondContact OD2-OG 3.35Å
664	L	92.8	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.			trans	-95	14.4	178.3	-54.3	-166.6	0	0	0	113.6	Y555 I650 N651 I662 E666 C667 F688 F702	Y555-L664 HydrophobicContact CD1-CD2 3.61Å; Y555-L664 HydrophobicContact CE1-CD2 4.13Å; Y555-L664 HydrophobicContact CG-CD2 3.83Å; I650-L664 HydrophobicContact CG2-CD1 3.81Å; I650-L664 HydrophobicContact CG2-CG 4.48Å; N651-L664 PolarHBondContact OD1-N 2.91Å; I662-L664 HydrophobicContact CG2-CD2 3.54Å; I662-L664 HydrophobicContact CG2-CG 3.87Å; L664-E666 PolarHBondContact O-N 2.96Å; L664-C667 WeakPolarHBondContact O-CB 3.4Å; L664-C667 PolarHBondContact O-N 3.34Å; L664-F688 HydrophobicContact CD1-CD2 3.61Å; L664-F688 HydrophobicContact CD1-CE2 3.64Å; L664-F688 HydrophobicContact CD1-CG 4.44Å; L664-F688 HydrophobicContact CD1-CZ 4.48Å; L664-F702 HydrophobicContact CD1-CB 4.49Å; L664-F702 HydrophobicContact CD1-CD2 3.98Å; L664-F702 HydrophobicContact CD1-CE2 4.49Å; L664-F702 HydrophobicContact CD1-CG 4.19Å; L664-F702 HydrophobicContact CD2-CD2 3.63Å; L664-F702 HydrophobicContact CD2-CE2 3.37Å; L664-F702 HydrophobicContact CD2-CG 4.47Å; L664-F702 HydrophobicContact CD2-CZ 4.02Å
665	S	91	Very high	91.4	Very high	35 Å²	35	37.9 Å²	37.9	25%	0.245	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-51.1	-29.4	173.7	-65.7	0	0	0	0	113.3	I647 D663 C667 L668	I647-S665 WeakPolarHBondContact CG2-OG 3.42Å; D663-S665 WeakPolarHBondContact OD1-CB 3.37Å; D663-S665 PolarHBondContact OD1-N 2.94Å; D663-S665 PolarHBondContact OD1-OG 2.87Å; D663-S665 PolarHBondContact OD2-OG 3.35Å; S665-C667 VanDerWaalsContact C-N 3.29Å; S665-C667 PolarHBondContact O-N 2.75Å; S665-L668 WeakPolarHBondContact O-CB 3.48Å; S665-L668 WeakPolarHBondContact O-CG 3.07Å; S665-L668 PolarHBondContact O-N 2.95Å
666	E	88.2	Confident	91.7	Very high	56 Å²	56	33.2 Å²	33.2	26%	0.262	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-67.7	-26.4	179.3	-150.6	-168.6	163	0	0	113.4	R554 Y555 L664 L668 Q669 Y670	R554-E666 WeakPolarHBondContact CG-OE2 3.18Å; R554-E666 IonicContact CZ-OE1 3.61Å; R554-E666 IonicContact CZ-OE2 3.52Å; R554-E666 VanDerWaalsContact NE-CD 3.34Å; R554-E666 IonicContact NE-OE1 3.41Å; R554-E666 PolarHBondContact NE-OE1 2.96Å; R554-E666 IonicContact NE-OE2 2.83Å; R554-E666 PolarHBondContact NE-OE2 3.27Å; R554-E666 IonicContact NH2-OE1 3.49Å; R554-E666 PolarHBondContact NH2-OE1 2.94Å; R554-E666 IonicContact NH2-OE2 3.33Å; R554-E666 PolarHBondContact NH2-OE2 2.73Å; Y555-E666 HydrophobicContact CE1-CB 4.29Å; L664-E666 PolarHBondContact O-N 2.96Å; E666-L668 PolarHBondContact O-N 2.63Å; E666-L668 VanDerWaalsContact O-N 3.12Å; E666-Q669 VanDerWaalsContact CG-NE2 3.27Å; E666-Q669 WeakPolarHBondContact O-CB 3.32Å; E666-Q669 WeakPolarHBondContact O-CG 3.32Å; E666-Q669 PolarHBondContact O-N 3.28Å; E666-Y670 WeakPolarHBondContact O-CE1 3.22Å
667	C	91.4	Very high	92.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64.9	-15.6	178.4	-62	0	0	0	0	113.2	L664 S665 Q669 Y670 F688	L664-C667 WeakPolarHBondContact O-CB 3.4Å; L664-C667 PolarHBondContact O-N 3.34Å; S665-C667 VanDerWaalsContact C-N 3.29Å; S665-C667 PolarHBondContact O-N 2.75Å; C667-Q669 PolarHBondContact O-N 3.14Å; C667-Y670 HydrophobicContact CB-CE2 4.27Å; C667-Y670 PolarHBondContact O-N 3.13Å; C667-F688 HydrophobicContact CB-CD1 3.44Å; C667-F688 VanDerWaalsContact CB-CD1 3.44Å; C667-F688 HydrophobicContact CB-CE1 3.52Å; C667-F688 HydrophobicContact CB-CG 4.36Å; C667-F688 HydrophobicContact CB-CZ 4.5Å; C667-F688 VanDerWaalsContact SG-CD1 3.54Å
668	L	91.7	Very high	92.2	Very high	39 Å²	39	24.6 Å²	24.6	20%	0.204	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-63.7	-15	171	-62.6	176	0	0	0	113.4	V642 P644 I647 S665 E666	V642-L668 HydrophobicContact CG1-CD2 4.21Å; V642-L668 HydrophobicContact CG2-CD2 4.14Å; P644-L668 HydrophobicContact CB-CD1 4.23Å; P644-L668 HydrophobicContact CG-CD1 4.18Å; P644-L668 HydrophobicContact CG-CD2 4.12Å; I647-L668 HydrophobicContact CD1-CD2 4.1Å; I647-L668 HydrophobicContact CD1-CG 4.16Å; I647-L668 HydrophobicContact CG1-CD1 4.03Å; I647-L668 HydrophobicContact CG1-CD2 3.95Å; I647-L668 HydrophobicContact CG1-CG 4.02Å; S665-L668 WeakPolarHBondContact O-CB 3.48Å; S665-L668 WeakPolarHBondContact O-CG 3.07Å; S665-L668 PolarHBondContact O-N 2.95Å; E666-L668 PolarHBondContact O-N 2.63Å; E666-L668 VanDerWaalsContact O-N 3.12Å
669	Q	89.7	Confident	92.4	Very high	105 Å²	105	24 Å²	24	49%	0.491	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-73.9	-31.3	176	-64.6	178.6	25.8	0	0	112.7	P591 Y592 E666 C667 P671	P591-Q669 WeakPolarHBondContact CB-O 3.09Å; Y592-Q669 PolarHBondContact N-O 3.05Å; E666-Q669 VanDerWaalsContact CG-NE2 3.27Å; E666-Q669 WeakPolarHBondContact O-CB 3.32Å; E666-Q669 WeakPolarHBondContact O-CG 3.32Å; E666-Q669 PolarHBondContact O-N 3.28Å; C667-Q669 PolarHBondContact O-N 3.14Å; Q669-P671 VanDerWaalsContact C-CD 3.5Å
670	Y	92.4	Very high	92.4	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-132	57.3	-173	42.2	-90.8	0	0	0	111.1	Y555 E666 C667 D672 F673 M689 V690	Y555-Y670 PolarHBondContact OH-OH 2.95Å; E666-Y670 WeakPolarHBondContact O-CE1 3.22Å; C667-Y670 HydrophobicContact CB-CE2 4.27Å; C667-Y670 PolarHBondContact O-N 3.13Å; Y670-D672 PolarHBondContact O-N 2.81Å; Y670-D672 VanDerWaalsContact O-N 3.15Å; Y670-F673 PolarHBondContact O-N 3.19Å; Y670-F673 VanDerWaalsContact O-N 3.1Å; Y670-M689 WeakPolarHBondContact CD2-O 3.45Å; Y670-M689 WeakPolarHBondContact CE2-O 3.46Å; Y670-V690 HydrophobicContact CE2-CG2 4.26Å
671	P	94.2	Very high	92.5	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.032	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64	-25.9	-167.6	26.8	-34.5	0	0	0	113.8	I588 L597 Y641 V642 Q669 F673 S674	I588-P671 HydrophobicContact CD1-CB 4.25Å; I588-P671 HydrophobicContact CD1-CG 4.45Å; L597-P671 HydrophobicContact CD1-CB 4.19Å; L597-P671 HydrophobicContact CD1-CG 4.01Å; Y641-P671 WeakPolarHBondContact CD1-O 3.37Å; V642-P671 HydrophobicContact CG1-CB 3.9Å; Q669-P671 VanDerWaalsContact C-CD 3.5Å; P671-F673 PolarHBondContact O-N 2.95Å; P671-S674 WeakPolarHBondContact O-CB 3.36Å; P671-S674 PolarHBondContact O-N 3.18Å; P671-S674 VanDerWaalsContact O-N 3.12Å; P671-S674 PolarHBondContact O-OG 2.92Å
672	D	94.3	Very high	92.9	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-58	-32.1	177.1	-24.7	-3.7	0	0	0	111.8	S590 T593 L597 Y670 S674 T725	S590-D672 WeakPolarHBondContact CB-OD1 3.41Å; S590-D672 PolarHBondContact OG-OD1 3.44Å; S590-D672 PolarHBondContact OG-OD2 2.98Å; S590-D672 VanDerWaalsContact OG-OD2 3.05Å; T593-D672 WeakPolarHBondContact CB-OD2 3.38Å; T593-D672 WeakPolarHBondContact CG2-OD2 3.38Å; T593-D672 PolarHBondContact OG1-OD2 2.98Å; L597-D672 HydrophobicContact CD1-CB 4.36Å; L597-D672 HydrophobicContact CD2-CB 4.08Å; Y670-D672 PolarHBondContact O-N 2.81Å; Y670-D672 VanDerWaalsContact O-N 3.15Å; D672-S674 PolarHBondContact O-N 2.9Å; D672-T725 HydrophobicContact CB-CG2 4.22Å
673	F	95.8	Very high	93.2	Very high	13 Å²	13	35 Å²	35	6%	0.057	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-94.9	32.5	-178.5	-50.4	-90.4	0	0	0	110.6	Y592 T593 Y670 P671 M689 P691 L722 T725 C726	Y592-F673 AromaticContact CD1-CE2 3.73Å; Y592-F673 HydrophobicContact CD1-CE2 3.73Å; Y592-F673 HydrophobicContact CD1-CZ 4.31Å; Y592-F673 HydrophobicContact CE1-CE2 4.17Å; Y592-F673 HydrophobicContact CE1-CZ 4.4Å; T593-F673 HydrophobicContact CG2-CE2 3.99Å; T593-F673 HydrophobicContact CG2-CZ 4.13Å; Y670-F673 PolarHBondContact O-N 3.19Å; Y670-F673 VanDerWaalsContact O-N 3.1Å; P671-F673 PolarHBondContact O-N 2.95Å; F673-M689 HydrophobicContact CB-CB 4.4Å; F673-M689 HydrophobicContact CB-CE 4.3Å; F673-M689 WeakPolarHBondContact CB-O 3.32Å; F673-M689 HydrophobicContact CD1-CE 3.86Å; F673-M689 PolarHBondContact O-N 3.21Å; F673-P691 HydrophobicContact CD1-CB 4.18Å; F673-P691 HydrophobicContact CD1-CG 4.47Å; F673-P691 HydrophobicContact CD2-CB 4.43Å; F673-P691 HydrophobicContact CD2-CG 3.92Å; F673-P691 HydrophobicContact CE1-CB 4.07Å; F673-P691 HydrophobicContact CE2-CB 4.34Å; F673-P691 HydrophobicContact CE2-CG 4.04Å; F673-P691 HydrophobicContact CG-CB 4.35Å; F673-P691 HydrophobicContact CG-CG 4.14Å; F673-P691 HydrophobicContact CZ-CB 4.15Å; F673-P691 HydrophobicContact CZ-CG 4.35Å; F673-L722 VanDerWaalsContact C-CD2 3.44Å; F673-L722 VanDerWaalsContact O-CD2 3.3Å; F673-L722 WeakPolarHBondContact O-CD2 3.47Å; F673-T725 HydrophobicContact CD1-CG2 3.73Å; F673-T725 HydrophobicContact CE1-CG2 3.66Å; F673-T725 HydrophobicContact CG-CG2 4.37Å; F673-T725 HydrophobicContact CZ-CG2 4.23Å; F673-C726 VanDerWaalsContact CD1-SG 3.53Å; F673-C726 WeakPolarHBondContact CE1-SG 3.22Å
674	S	96.9	Very high	93.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.3	176.3	76.3	0	0	0	0	111.8	Y641 V642 P671 D672 G687	Y641-S674 WeakPolarHBondContact CD1-O 3.32Å; V642-S674 WeakPolarHBondContact CB-OG 3.26Å; V642-S674 VanDerWaalsContact CG1-OG 3.25Å; V642-S674 WeakPolarHBondContact CG1-OG 3.48Å; V642-S674 PolarHBondContact N-OG 3.42Å; P671-S674 WeakPolarHBondContact O-CB 3.36Å; P671-S674 PolarHBondContact O-N 3.18Å; P671-S674 VanDerWaalsContact O-N 3.12Å; P671-S674 PolarHBondContact O-OG 2.92Å; D672-S674 PolarHBondContact O-N 2.9Å; S674-G687 CarbonylContact C-O 3.59Å; S674-G687 VanDerWaalsContact CA-O 3.26Å; S674-G687 WeakPolarHBondContact CA-O 3.46Å
675	V	97.8	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.8	168.4	-170.4	0	0	0	0	107.7	I601 Y639 V677 F686 G687 M718 H721 L722	I601-V675 HydrophobicContact CD1-CB 4.34Å; I601-V675 HydrophobicContact CD1-CG1 3.98Å; I601-V675 HydrophobicContact CD1-CG2 4.04Å; Y639-V675 HydrophobicContact CD1-CG1 4.01Å; V675-V677 HydrophobicContact CG1-CG2 4.2Å; V675-F686 CarbonylContact O-C 3.59Å; V675-F686 WeakPolarHBondContact O-CA 3.15Å; V675-G687 PolarHBondContact N-O 2.97Å; V675-G687 PolarHBondContact O-N 3.09Å; V675-M718 HydrophobicContact CB-CB 4.49Å; V675-M718 HydrophobicContact CB-CG 4.02Å; V675-M718 HydrophobicContact CB-SD 4.35Å; V675-M718 HydrophobicContact CG1-CG 3.84Å; V675-M718 HydrophobicContact CG1-SD 4.36Å; V675-H721 HydrophobicContact CG2-CB 4.28Å; V675-H721 VanDerWaalsContact CG2-CD2 3.44Å; V675-H721 WeakPolarHBondContact CG2-CD2 3.42Å; V675-L722 HydrophobicContact CG2-CD2 4.3Å; V675-L722 HydrophobicContact CG2-CG 4.31Å
676	V	97.8	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.8	168.4	-176.3	0	0	0	0	106.4	C640 V642 I650 L678 I683 F686 F688	C640-V676 PolarHBondContact N-O 3.43Å; C640-V676 PolarHBondContact O-N 2.97Å; V642-V676 HydrophobicContact CB-CG2 4.09Å; V642-V676 HydrophobicContact CG2-CG2 4.27Å; I650-V676 HydrophobicContact CD1-CG1 4.12Å; I650-V676 HydrophobicContact CD1-CG2 3.76Å; V676-L678 HydrophobicContact CG1-CD1 3.99Å; V676-I683 HydrophobicContact CG1-CD1 4.01Å; V676-I683 HydrophobicContact CG1-CG1 4.12Å; V676-I683 HydrophobicContact CG1-CG2 3.85Å; V676-F686 HydrophobicContact CG2-CB 4.49Å; V676-F688 HydrophobicContact CG2-CZ 4.46Å
677	V	97.6	Very high	94.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.8	-178.6	-161.4	0	0	0	0	108.8	L637 D638 Y639 V675 I684 A685 I714 M718	L637-V677 HydrophobicContact CB-CG1 4.27Å; D638-V677 WeakPolarHBondContact O-CA 3.25Å; Y639-V677 HydrophobicContact CD1-CB 4.22Å; Y639-V677 HydrophobicContact CD1-CG1 3.83Å; Y639-V677 HydrophobicContact CD1-CG2 3.41Å; Y639-V677 VanDerWaalsContact CD1-CG2 3.41Å; Y639-V677 HydrophobicContact CD2-CG1 4.24Å; Y639-V677 HydrophobicContact CE1-CB 4.38Å; Y639-V677 HydrophobicContact CE1-CG1 3.79Å; Y639-V677 HydrophobicContact CE1-CG2 3.62Å; Y639-V677 HydrophobicContact CE2-CG1 4.21Å; Y639-V677 HydrophobicContact CG-CG1 4.07Å; Y639-V677 HydrophobicContact CG-CG2 4.26Å; V675-V677 HydrophobicContact CG1-CG2 4.2Å; V677-I684 HydrophobicContact CB-CG1 4.05Å; V677-I684 HydrophobicContact CG1-CD1 4.01Å; V677-I684 HydrophobicContact CG1-CG1 4.07Å; V677-I684 VanDerWaalsContact O-CG1 3.31Å; V677-I684 WeakPolarHBondContact O-CG1 3.46Å; V677-I684 PolarHBondContact O-N 3.42Å; V677-A685 HydrophobicContact CB-CB 3.97Å; V677-A685 HydrophobicContact CG2-CB 3.86Å; V677-A685 PolarHBondContact N-O 3.46Å; V677-A685 PolarHBondContact O-N 2.77Å; V677-I714 HydrophobicContact CB-CG2 4.37Å; V677-I714 HydrophobicContact CG1-CG2 4.24Å; V677-I714 HydrophobicContact CG2-CG2 3.93Å; V677-M718 HydrophobicContact CG2-CG 4.11Å; V677-M718 HydrophobicContact CG2-SD 3.73Å
678	L	95.4	Very high	94.8	Very high	22 Å²	22	28.1 Å²	28.1	12%	0.115	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.8	179.2	-61.6	93.6	0	0	0	110.9	L637 D638 C640 V676 V682 I683	L637-L678 CarbonylContact C-O 3.45Å; L637-L678 WeakPolarHBondContact CA-O 3.04Å; D638-L678 PolarHBondContact N-O 3.26Å; D638-L678 PolarHBondContact O-N 2.92Å; C640-L678 VanDerWaalsContact SG-CD1 3.55Å; V676-L678 HydrophobicContact CG1-CD1 3.99Å; L678-V682 CarbonylContact C-O 3.47Å; L678-V682 WeakPolarHBondContact CA-O 3.36Å; L678-I683 HydrophobicContact CD2-CG1 4.06Å; L678-I683 HydrophobicContact CG-CG1 4.09Å
679	Y	93.7	Very high	94.9	Very high	35 Å²	35	26.3 Å²	26.3	14%	0.137	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.8	157.7	175.7	-101.8	0	0	0	108.2	L612 A635 L637 K681 V682 W709	L612-Y679 HydrophobicContact CD1-CD2 3.79Å; L612-Y679 HydrophobicContact CD1-CE2 3.57Å; L612-Y679 HydrophobicContact CD2-CD1 4.18Å; L612-Y679 HydrophobicContact CD2-CD2 4.17Å; L612-Y679 HydrophobicContact CD2-CE1 3.77Å; L612-Y679 HydrophobicContact CD2-CE2 3.73Å; L612-Y679 HydrophobicContact CD2-CG 4.35Å; L612-Y679 HydrophobicContact CG-CE2 4.34Å; A635-Y679 HydrophobicContact CB-CE2 3.93Å; A635-Y679 WeakPolarHBondContact O-CE2 3.44Å; L637-Y679 HydrophobicContact CD2-CD2 3.99Å; Y679-K681 PolarHBondContact O-N 2.92Å; Y679-V682 PolarHBondContact N-O 3.47Å; Y679-V682 PolarHBondContact O-N 3.44Å; Y679-W709 AromaticContact CD1-CH2 3.79Å; Y679-W709 HydrophobicContact CD1-CH2 3.79Å; Y679-W709 HydrophobicContact CD2-CH2 4.31Å; Y679-W709 HydrophobicContact CD2-CZ3 4.42Å; Y679-W709 AromaticContact CG-CH2 3.61Å; Y679-W709 HydrophobicContact CG-CH2 3.61Å; Y679-W709 HydrophobicContact CG-CZ3 4.05Å
680	K	89.4	Confident	95.1	Very high	114 Å²	114	21.7 Å²	21.7	50%	0.496	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-108.2	-166.8	-57	-175.3	179	-170.8	0	110.1	A635	A635-K680 HydrophobicContact CB-CD 4.23Å; A635-K680 VanDerWaalsContact CB-CE 3.45Å; A635-K680 HydrophobicContact CB-CG 3.7Å
681	K	87.6	Confident	95	Very high	142 Å²	142	21.8 Å²	21.8	62%	0.617	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	9.5	178.2	-49.3	-161.6	-172.6	-155.3	0	114.1	D581 Y679	D581-K681 WeakPolarHBondContact OD1-CE 3.29Å; D581-K681 IonicContact OD1-NZ 2.67Å; D581-K681 PolarHBondContact OD1-NZ 3.26Å; D581-K681 IonicContact OD2-NZ 2.98Å; D581-K681 PolarHBondContact OD2-NZ 2.92Å; Y679-K681 PolarHBondContact O-N 2.92Å
682	V	92	Very high	94.6	Very high	91 Å²	91	24.7 Å²	24.7	55%	0.552	12%	0.12	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.6	-178.3	-178.7	0	0	0	0	109.8	L678 Y679 I684	L678-V682 CarbonylContact C-O 3.47Å; L678-V682 WeakPolarHBondContact CA-O 3.36Å; Y679-V682 PolarHBondContact N-O 3.47Å; Y679-V682 PolarHBondContact O-N 3.44Å; V682-I684 HydrophobicContact CG1-CG2 4.36Å
683	I	96	Very high	94.1	Very high	11 Å²	11	26.8 Å²	26.8	6%	0.056	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.5	171.2	-59	179.1	0	0	0	108.7	H646 T649 I650 M653 V676 L678 F686	H646-I683 HydrophobicContact CB-CD1 3.8Å; T649-I683 HydrophobicContact CG2-CB 4.41Å; T649-I683 HydrophobicContact CG2-CD1 4.14Å; T649-I683 HydrophobicContact CG2-CG1 4.48Å; I650-I683 HydrophobicContact CD1-CD1 4.26Å; I650-I683 HydrophobicContact CG1-CD1 3.88Å; I650-I683 HydrophobicContact CG1-CG2 4.41Å; M653-I683 WeakPolarHBondContact CE-O 3.37Å; M653-I683 HydrophobicContact SD-CG2 4.21Å; V676-I683 HydrophobicContact CG1-CD1 4.01Å; V676-I683 HydrophobicContact CG1-CG1 4.12Å; V676-I683 HydrophobicContact CG1-CG2 3.85Å; L678-I683 HydrophobicContact CD2-CG1 4.06Å; L678-I683 HydrophobicContact CG-CG1 4.09Å; I683-F686 HydrophobicContact CG2-CD1 4.5Å
684	I	96.8	Very high	93.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-21.8	-176.7	59.3	165.4	0	0	0	113	L637 V677 V682 H706 W709 I714	L637-I684 HydrophobicContact CD2-CD1 3.95Å; V677-I684 HydrophobicContact CB-CG1 4.05Å; V677-I684 HydrophobicContact CG1-CD1 4.01Å; V677-I684 HydrophobicContact CG1-CG1 4.07Å; V677-I684 VanDerWaalsContact O-CG1 3.31Å; V677-I684 WeakPolarHBondContact O-CG1 3.46Å; V677-I684 PolarHBondContact O-N 3.42Å; V682-I684 HydrophobicContact CG1-CG2 4.36Å; I684-H706 WeakPolarHBondContact O-CB 3.4Å; I684-H706 PolarHBondContact O-N 3.32Å; I684-W709 HydrophobicContact CB-CD2 3.88Å; I684-W709 HydrophobicContact CB-CE3 4.13Å; I684-W709 HydrophobicContact CB-CG 4.11Å; I684-W709 HydrophobicContact CD1-CD2 3.99Å; I684-W709 HydrophobicContact CD1-CE3 3.35Å; I684-W709 HydrophobicContact CD1-CZ3 3.73Å; I684-W709 HydrophobicContact CG1-CE3 4.34Å; I684-W709 HydrophobicContact CG2-CD2 3.69Å; I684-W709 VanDerWaalsContact CG2-CE2 3.5Å; I684-W709 HydrophobicContact CG2-CE3 3.94Å; I684-W709 HydrophobicContact CG2-CG 4.31Å; I684-W709 HydrophobicContact CG2-CH2 3.94Å; I684-W709 HydrophobicContact CG2-CZ2 3.65Å; I684-W709 HydrophobicContact CG2-CZ3 4.07Å; I684-I714 HydrophobicContact CD1-CD1 3.97Å
685	A	97.9	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158.7	179.6	0	0	0	0	0	111.2	V677 F704 V705 I714 M718	V677-A685 HydrophobicContact CB-CB 3.97Å; V677-A685 HydrophobicContact CG2-CB 3.86Å; V677-A685 PolarHBondContact N-O 3.46Å; V677-A685 PolarHBondContact O-N 2.77Å; A685-F704 CarbonylContact C-O 3.58Å; A685-F704 WeakPolarHBondContact CA-O 3.11Å; A685-F704 WeakPolarHBondContact CB-O 3.25Å; A685-V705 HydrophobicContact CB-CB 4.23Å; A685-V705 HydrophobicContact CB-CG1 4.33Å; A685-V705 HydrophobicContact CB-CG2 3.82Å; A685-I714 HydrophobicContact CB-CG2 3.82Å; A685-M718 HydrophobicContact CB-CE 3.85Å; A685-M718 HydrophobicContact CB-SD 4.06Å
686	F	98.3	Very high	92.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.2	170.9	54.9	-96.7	0	0	0	112	I650 M653 C654 F658 V675 V676 I683 F688 F702 F704 M718	I650-F686 HydrophobicContact CD1-CB 4.32Å; I650-F686 HydrophobicContact CD1-CG 4.48Å; I650-F686 HydrophobicContact CG1-CD1 4.05Å; I650-F686 HydrophobicContact CG1-CE1 4.49Å; I650-F686 HydrophobicContact CG1-CG 4.46Å; I650-F686 HydrophobicContact CG2-CD1 4.2Å; I650-F686 HydrophobicContact CG2-CD2 4.32Å; I650-F686 HydrophobicContact CG2-CE1 4.12Å; I650-F686 HydrophobicContact CG2-CE2 4.23Å; I650-F686 HydrophobicContact CG2-CG 4.3Å; I650-F686 HydrophobicContact CG2-CZ 4.13Å; M653-F686 HydrophobicContact CB-CE1 4.03Å; M653-F686 HydrophobicContact SD-CE1 4.13Å; C654-F686 VanDerWaalsContact SG-CZ 3.56Å; F658-F686 HydrophobicContact CE2-CZ 4.31Å; V675-F686 CarbonylContact O-C 3.59Å; V675-F686 WeakPolarHBondContact O-CA 3.15Å; V676-F686 HydrophobicContact CG2-CB 4.49Å; I683-F686 HydrophobicContact CG2-CD1 4.5Å; F686-F688 HydrophobicContact CB-CE2 4Å; F686-F688 AromaticContact CD2-CD2 3.77Å; F686-F688 HydrophobicContact CD2-CD2 3.77Å; F686-F688 AromaticContact CD2-CE2 3.61Å; F686-F688 HydrophobicContact CD2-CE2 3.61Å; F686-F688 HydrophobicContact CE2-CD2 4.47Å; F686-F688 HydrophobicContact CE2-CE2 4.39Å; F686-F688 HydrophobicContact CG-CE2 4.03Å; F686-F702 HydrophobicContact CE2-CB 4.3Å; F686-F704 HydrophobicContact CD1-CB 4.23Å; F686-F704 HydrophobicContact CD1-CD1 4.06Å; F686-F704 HydrophobicContact CD2-CB 4.05Å; F686-F704 HydrophobicContact CE1-CB 3.85Å; F686-F704 AromaticContact CE1-CD1 3.56Å; F686-F704 HydrophobicContact CE1-CD1 3.56Å; F686-F704 HydrophobicContact CE1-CE1 4.43Å; F686-F704 AromaticContact CE1-CG 3.96Å; F686-F704 HydrophobicContact CE1-CG 3.96Å; F686-F704 HydrophobicContact CE2-CB 3.67Å; F686-F704 HydrophobicContact CG-CB 4.32Å; F686-F704 HydrophobicContact CZ-CB 3.56Å; F686-F704 HydrophobicContact CZ-CD1 4.02Å; F686-F704 AromaticContact CZ-CG 3.93Å; F686-F704 HydrophobicContact CZ-CG 3.93Å; F686-F704 PolarHBondContact N-O 3.12Å; F686-F704 PolarHBondContact O-N 2.93Å; F686-M718 VanDerWaalsContact C-SD 3.54Å
687	G	97.8	Very high	91.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.4	173.1	0	0	0	0	0	110.3	S674 V675 F702	S674-G687 CarbonylContact C-O 3.59Å; S674-G687 VanDerWaalsContact CA-O 3.26Å; S674-G687 WeakPolarHBondContact CA-O 3.46Å; V675-G687 PolarHBondContact N-O 2.97Å; V675-G687 PolarHBondContact O-N 3.09Å; G687-F702 CarbonylContact C-O 3.58Å; G687-F702 WeakPolarHBondContact CA-O 3.41Å
688	F	97.2	Very high	91.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.5	-178.3	-70.7	-75.3	0	0	0	110.6	V642 I650 L664 C667 V676 F686 I700 S701 F702	V642-F688 HydrophobicContact CB-CE1 3.77Å; V642-F688 HydrophobicContact CB-CZ 4.22Å; V642-F688 HydrophobicContact CG1-CE1 4.09Å; V642-F688 HydrophobicContact CG2-CE1 3.78Å; V642-F688 HydrophobicContact CG2-CZ 3.85Å; I650-F688 HydrophobicContact CD1-CE2 4.17Å; I650-F688 HydrophobicContact CD1-CZ 3.91Å; I650-F688 HydrophobicContact CG2-CE2 3.9Å; I650-F688 HydrophobicContact CG2-CZ 4.37Å; L664-F688 HydrophobicContact CD1-CD2 3.61Å; L664-F688 HydrophobicContact CD1-CE2 3.64Å; L664-F688 HydrophobicContact CD1-CG 4.44Å; L664-F688 HydrophobicContact CD1-CZ 4.48Å; C667-F688 HydrophobicContact CB-CD1 3.44Å; C667-F688 VanDerWaalsContact CB-CD1 3.44Å; C667-F688 HydrophobicContact CB-CE1 3.52Å; C667-F688 HydrophobicContact CB-CG 4.36Å; C667-F688 HydrophobicContact CB-CZ 4.5Å; C667-F688 VanDerWaalsContact SG-CD1 3.54Å; V676-F688 HydrophobicContact CG2-CZ 4.46Å; F686-F688 HydrophobicContact CB-CE2 4Å; F686-F688 AromaticContact CD2-CD2 3.77Å; F686-F688 HydrophobicContact CD2-CD2 3.77Å; F686-F688 AromaticContact CD2-CE2 3.61Å; F686-F688 HydrophobicContact CD2-CE2 3.61Å; F686-F688 HydrophobicContact CE2-CD2 4.47Å; F686-F688 HydrophobicContact CE2-CE2 4.39Å; F686-F688 HydrophobicContact CG-CE2 4.03Å; F688-I700 CarbonylContact O-C 3.53Å; F688-S701 PolarHBondContact O-N 3.4Å; F688-F702 HydrophobicContact CD2-CB 4.39Å; F688-F702 PolarHBondContact N-O 3.05Å; F688-F702 PolarHBondContact O-N 2.92Å
689	M	95.3	Very high	91.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.7	177.9	-172.5	175.1	60.9	0	0	110.5	Y670 F673 A698 Y699 I700 L722 C726 V731	Y670-M689 WeakPolarHBondContact CD2-O 3.45Å; Y670-M689 WeakPolarHBondContact CE2-O 3.46Å; F673-M689 HydrophobicContact CB-CB 4.4Å; F673-M689 HydrophobicContact CB-CE 4.3Å; F673-M689 WeakPolarHBondContact CB-O 3.32Å; F673-M689 HydrophobicContact CD1-CE 3.86Å; F673-M689 PolarHBondContact O-N 3.21Å; M689-A698 HydrophobicContact CE-CB 4.45Å; M689-A698 HydrophobicContact CG-CB 4.17Å; M689-A698 HydrophobicContact SD-CB 3.84Å; M689-Y699 CarbonylContact C-O 3.54Å; M689-Y699 WeakPolarHBondContact CA-O 3.41Å; M689-I700 HydrophobicContact CB-CG1 4.35Å; M689-I700 HydrophobicContact CG-CG1 4.05Å; M689-I700 HydrophobicContact SD-CG1 4.01Å; M689-L722 HydrophobicContact CB-CD1 4.46Å; M689-L722 HydrophobicContact CB-CD2 4.04Å; M689-L722 HydrophobicContact CE-CB 4.08Å; M689-L722 HydrophobicContact CE-CD2 4.45Å; M689-L722 WeakPolarHBondContact CE-O 3.5Å; M689-L722 HydrophobicContact SD-CB 4.26Å; M689-C726 HydrophobicContact CE-CB 3.78Å; M689-C726 WeakPolarHBondContact CE-SG 3.31Å; M689-C726 HydrophobicContact SD-CB 4.49Å; M689-V731 HydrophobicContact SD-CG1 4.13Å
690	V	93	Very high	91.7	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.3	173.2	174.8	0	0	0	0	107.8	I551 Y555 Y670 V693 A698 Y699 S701	I551-V690 HydrophobicContact CG2-CG2 4.42Å; Y555-V690 WeakPolarHBondContact OH-CG2 3.19Å; Y670-V690 HydrophobicContact CE2-CG2 4.26Å; V690-V693 HydrophobicContact CB-CG2 4.01Å; V690-V693 HydrophobicContact CG1-CG2 3.54Å; V690-A698 WeakPolarHBondContact O-CA 3.47Å; V690-Y699 PolarHBondContact N-O 3.2Å; V690-Y699 PolarHBondContact O-N 2.94Å; V690-S701 WeakPolarHBondContact CG2-OG 3.18Å
691	P	89.9	Confident	91.9	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.058	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	153.6	168.5	32.4	-35.2	0	0	0	110.4	Y592 F673 V693	Y592-P691 HydrophobicContact CD1-CG 4.26Å; Y592-P691 HydrophobicContact CE1-CB 4.11Å; Y592-P691 HydrophobicContact CE1-CG 3.73Å; Y592-P691 HydrophobicContact CE2-CG 4.39Å; F673-P691 HydrophobicContact CD1-CB 4.18Å; F673-P691 HydrophobicContact CD1-CG 4.47Å; F673-P691 HydrophobicContact CD2-CB 4.43Å; F673-P691 HydrophobicContact CD2-CG 3.92Å; F673-P691 HydrophobicContact CE1-CB 4.07Å; F673-P691 HydrophobicContact CE2-CB 4.34Å; F673-P691 HydrophobicContact CE2-CG 4.04Å; F673-P691 HydrophobicContact CG-CB 4.35Å; F673-P691 HydrophobicContact CG-CG 4.14Å; F673-P691 HydrophobicContact CZ-CB 4.15Å; F673-P691 HydrophobicContact CZ-CG 4.35Å; P691-V693 PolarHBondContact O-N 2.94Å
692	D	85.9	Confident	92.3	Very high	66 Å²	66	31 Å²	31	35%	0.353	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.7	41.2	165.7	-63.9	-78.9	0	0	0	115.5	Y592 K694 E697 K729	Y592-D692 PolarHBondContact OH-OD2 3.26Å; D692-K694 VanDerWaalsContact C-N 3.32Å; D692-E697 PolarHBondContact N-O 2.8Å; D692-K729 IonicContact OD1-NZ 3.48Å; D692-K729 PolarHBondContact OD1-NZ 2.78Å; D692-K729 IonicContact OD2-NZ 2.95Å; D692-K729 PolarHBondContact OD2-NZ 3.33Å
693	V	84.7	Confident	92.5	Very high	49 Å²	49	28 Å²	28	30%	0.297	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-39.9	169.8	171.7	0	0	0	0	111	I551 V690 P691 E697	I551-V693 HydrophobicContact CD1-CG1 3.6Å; I551-V693 HydrophobicContact CD1-CG2 4.31Å; I551-V693 HydrophobicContact CG1-CG1 4Å; I551-V693 HydrophobicContact CG2-CG2 4.42Å; V690-V693 HydrophobicContact CB-CG2 4.01Å; V690-V693 HydrophobicContact CG1-CG2 3.54Å; P691-V693 PolarHBondContact O-N 2.94Å; V693-E697 PolarHBondContact N-O 2.93Å
694	K	82.9	Confident	92.6	Very high	74 Å²	74	28 Å²	28	32%	0.322	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	169.6	160.9	-51.8	-166.1	-166.8	93.6	0	108	D548 D692 N696 E697	D548-K694 WeakPolarHBondContact OD2-CE 3.43Å; D548-K694 IonicContact OD2-NZ 3.88Å; D548-K694 PolarHBondContact OD2-NZ 2.88Å; D692-K694 VanDerWaalsContact C-N 3.32Å; K694-N696 PolarHBondContact O-N 2.86Å; K694-E697 HydrophobicContact CB-CB 3.97Å; K694-E697 HydrophobicContact CB-CG 4.03Å; K694-E697 WeakPolarHBondContact CD-OE2 3.37Å; K694-E697 WeakPolarHBondContact CE-OE2 3.42Å; K694-E697 HydrophobicContact CG-CB 4.43Å; K694-E697 HydrophobicContact CG-CG 4.43Å; K694-E697 VanDerWaalsContact CG-OE2 3.32Å; K694-E697 WeakPolarHBondContact CG-OE2 3.46Å; K694-E697 VanDerWaalsContact NZ-CD 3.25Å; K694-E697 IonicContact NZ-OE1 3.5Å; K694-E697 PolarHBondContact NZ-OE1 2.81Å; K694-E697 VanDerWaalsContact NZ-OE1 3.08Å; K694-E697 IonicContact NZ-OE2 2.7Å; K694-E697 PolarHBondContact NZ-OE2 3.01Å; K694-E697 PolarHBondContact O-N 2.95Å
695	Y	77.8	Confident	92.6	Very high	221 Å²	221	28.6 Å²	28.6	87%	0.867	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-30.5	-174	-172.1	-89	0	0	0	114.9
696	N	86.7	Confident	92.5	Very high	73 Å²	73	30.4 Å²	30.4	39%	0.39	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	22.6	175	-148.4	62.4	0	0	0	113.8	K694 G728 D730	K694-N696 PolarHBondContact O-N 2.86Å; N696-G728 PolarHBondContact ND2-O 2.94Å; N696-G728 PolarHBondContact OD1-O 3.19Å; N696-G728 VanDerWaalsContact OD1-O 3.11Å; N696-D730 PolarHBondContact O-N 3Å
697	E	90.9	Very high	92.2	Very high	20 Å²	20	33.3 Å²	33.3	9%	0.093	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.1	-176	-65	-178.4	-175.6	0	0	112.6	D692 V693 K694 D730 R778	D692-E697 PolarHBondContact N-O 2.8Å; V693-E697 PolarHBondContact N-O 2.93Å; K694-E697 HydrophobicContact CB-CB 3.97Å; K694-E697 HydrophobicContact CB-CG 4.03Å; K694-E697 WeakPolarHBondContact CD-OE2 3.37Å; K694-E697 WeakPolarHBondContact CE-OE2 3.42Å; K694-E697 HydrophobicContact CG-CB 4.43Å; K694-E697 HydrophobicContact CG-CG 4.43Å; K694-E697 VanDerWaalsContact CG-OE2 3.32Å; K694-E697 WeakPolarHBondContact CG-OE2 3.46Å; K694-E697 VanDerWaalsContact NZ-CD 3.25Å; K694-E697 IonicContact NZ-OE1 3.5Å; K694-E697 PolarHBondContact NZ-OE1 2.81Å; K694-E697 VanDerWaalsContact NZ-OE1 3.08Å; K694-E697 IonicContact NZ-OE2 2.7Å; K694-E697 PolarHBondContact NZ-OE2 3.01Å; K694-E697 PolarHBondContact O-N 2.95Å; E697-D730 WeakPolarHBondContact CA-O 3.45Å; E697-D730 HydrophobicContact CG-CB 4.39Å; E697-R778 IonicContact OE1-CZ 2.71Å; E697-R778 IonicContact OE1-NH2 2.64Å; E697-R778 PolarHBondContact OE1-NH2 2.77Å
698	A	93.8	Very high	92	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	151.1	164.1	0	0	0	0	0	110.2	M689 V690 C726 D730 T732	M689-A698 HydrophobicContact CE-CB 4.45Å; M689-A698 HydrophobicContact CG-CB 4.17Å; M689-A698 HydrophobicContact SD-CB 3.84Å; V690-A698 WeakPolarHBondContact O-CA 3.47Å; A698-C726 HydrophobicContact CB-CB 4.1Å; A698-D730 PolarHBondContact N-O 3.02Å; A698-T732 PolarHBondContact O-N 3.24Å; A698-T732 PolarHBondContact O-OG1 3.25Å
699	Y	95.2	Very high	91.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.4	-174.6	-178.6	-98.6	0	0	0	112.3	I551 L552 M689 V690 S701 T732 H734	I551-Y699 HydrophobicContact CB-CD1 4.01Å; I551-Y699 HydrophobicContact CB-CE1 4.06Å; I551-Y699 HydrophobicContact CD1-CD1 3.86Å; I551-Y699 HydrophobicContact CD1-CD2 3.69Å; I551-Y699 HydrophobicContact CD1-CE1 4.21Å; I551-Y699 HydrophobicContact CD1-CE2 4.06Å; I551-Y699 HydrophobicContact CD1-CG 3.6Å; I551-Y699 HydrophobicContact CG2-CD1 3.48Å; I551-Y699 VanDerWaalsContact CG2-CD1 3.48Å; I551-Y699 HydrophobicContact CG2-CE1 3.91Å; I551-Y699 HydrophobicContact CG2-CG 4.2Å; L552-Y699 HydrophobicContact CD2-CE1 4.05Å; L552-Y699 HydrophobicContact CG-CE1 4.4Å; M689-Y699 CarbonylContact C-O 3.54Å; M689-Y699 WeakPolarHBondContact CA-O 3.41Å; V690-Y699 PolarHBondContact N-O 3.2Å; V690-Y699 PolarHBondContact O-N 2.94Å; Y699-S701 WeakPolarHBondContact CD1-OG 3.42Å; Y699-S701 PolarHBondContact O-N 2.89Å; Y699-S701 VanDerWaalsContact O-N 3.16Å; Y699-S701 PolarHBondContact O-OG 3.45Å; Y699-T732 CarbonylContact C-O 3.49Å; Y699-T732 VanDerWaalsContact CA-O 3.32Å; Y699-T732 WeakPolarHBondContact CA-O 3.5Å; Y699-T732 WeakPolarHBondContact CD2-OG1 2.95Å; Y699-H734 AromaticContact CE2-ND1 3.4Å; Y699-H734 WeakPolarHBondContact CE2-ND1 3.35Å; Y699-H734 AromaticContact CZ-ND1 3.56Å; Y699-H734 PolarHBondContact OH-ND1 2.94Å
700	I	96.3	Very high	91.8	Very high	5 Å²	5	43 Å²	43	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	109.5	173.9	-54.7	175.8	0	0	0	107.5	F688 M689 L703 V731 T732 L733 F750	F688-I700 CarbonylContact O-C 3.53Å; M689-I700 HydrophobicContact CB-CG1 4.35Å; M689-I700 HydrophobicContact CG-CG1 4.05Å; M689-I700 HydrophobicContact SD-CG1 4.01Å; I700-L703 HydrophobicContact CG2-CB 4.38Å; I700-V731 HydrophobicContact CD1-CG1 3.79Å; I700-V731 HydrophobicContact CG1-CG1 3.84Å; I700-T732 PolarHBondContact N-O 3.3Å; I700-L733 HydrophobicContact CB-CB 4.14Å; I700-F750 HydrophobicContact CD1-CZ 4.3Å
701	S	94.1	Very high	91.7	Very high	12 Å²	12	53.5 Å²	53.5	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-39.4	-172.9	-61.6	0	0	0	0	112.5	L552 F688 V690 Y699	L552-S701 WeakPolarHBondContact CD2-O 3.41Å; F688-S701 PolarHBondContact O-N 3.4Å; V690-S701 WeakPolarHBondContact CG2-OG 3.18Å; Y699-S701 WeakPolarHBondContact CD1-OG 3.42Å; Y699-S701 PolarHBondContact O-N 2.89Å; Y699-S701 VanDerWaalsContact O-N 3.16Å; Y699-S701 PolarHBondContact O-OG 3.45Å
702	F	95.8	Very high	91.9	Very high	5 Å²	5	54 Å²	54	2%	0.022	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.3	176.7	-66.1	-86.8	0	0	0	109.8	L552 Y555 F658 W659 I662 L664 F686 G687 F688	L552-F702 HydrophobicContact CD2-CE2 4.15Å; L552-F702 HydrophobicContact CD2-CZ 4.23Å; Y555-F702 AromaticContact CD2-CE2 3.59Å; Y555-F702 HydrophobicContact CD2-CE2 3.59Å; Y555-F702 HydrophobicContact CD2-CZ 4.31Å; Y555-F702 AromaticContact CE2-CE2 3.94Å; Y555-F702 HydrophobicContact CE2-CE2 3.94Å; Y555-F702 AromaticContact CG-CE2 3.99Å; Y555-F702 HydrophobicContact CG-CE2 3.99Å; F658-F702 HydrophobicContact CD1-CD1 4.14Å; F658-F702 HydrophobicContact CD1-CE1 4.35Å; F658-F702 AromaticContact CE1-CD1 3.96Å; F658-F702 HydrophobicContact CE1-CD1 3.96Å; F658-F702 HydrophobicContact CZ-CD1 4.25Å; W659-F702 AromaticContact CH2-CE1 3.98Å; W659-F702 HydrophobicContact CH2-CE1 3.98Å; W659-F702 HydrophobicContact CH2-CZ 4.43Å; W659-F702 AromaticContact CZ2-CE1 3.96Å; W659-F702 HydrophobicContact CZ2-CE1 3.96Å; W659-F702 HydrophobicContact CZ2-CZ 4.07Å; I662-F702 HydrophobicContact CD1-CE1 3.92Å; I662-F702 HydrophobicContact CD1-CZ 4.36Å; I662-F702 HydrophobicContact CG2-CE1 4.45Å; I662-F702 HydrophobicContact CG2-CZ 4.11Å; L664-F702 HydrophobicContact CD1-CB 4.49Å; L664-F702 HydrophobicContact CD1-CD2 3.98Å; L664-F702 HydrophobicContact CD1-CE2 4.49Å; L664-F702 HydrophobicContact CD1-CG 4.19Å; L664-F702 HydrophobicContact CD2-CD2 3.63Å; L664-F702 HydrophobicContact CD2-CE2 3.37Å; L664-F702 HydrophobicContact CD2-CG 4.47Å; L664-F702 HydrophobicContact CD2-CZ 4.02Å; F686-F702 HydrophobicContact CE2-CB 4.3Å; G687-F702 CarbonylContact C-O 3.58Å; G687-F702 WeakPolarHBondContact CA-O 3.41Å; F688-F702 HydrophobicContact CD2-CB 4.39Å; F688-F702 PolarHBondContact N-O 3.05Å; F688-F702 PolarHBondContact O-N 2.92Å
703	L	96.8	Very high	92.2	Very high	30 Å²	30	52.8 Å²	52.8	16%	0.157	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	123.7	169.5	-170.3	74.1	0	0	0	108.4	I700 M718 I719 Y745	I700-L703 HydrophobicContact CG2-CB 4.38Å; L703-M718 HydrophobicContact CD1-CB 4.06Å; L703-M718 HydrophobicContact CD1-CE 3.78Å; L703-M718 HydrophobicContact CD1-SD 4.43Å; L703-M718 HydrophobicContact CG-CE 4.41Å; L703-I719 HydrophobicContact CD1-CG1 4.45Å; L703-I719 HydrophobicContact CD2-CD1 3.65Å; L703-I719 HydrophobicContact CD2-CG1 3.56Å; L703-Y745 HydrophobicContact CD2-CE1 4.01Å
704	F	96.8	Very high	92.8	Very high	10 Å²	10	50.6 Å²	50.6	4%	0.044	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.4	-174.6	-178.8	-103.6	0	0	0	111.6	M653 F657 F658 A685 F686 H706	M653-F704 HydrophobicContact CE-CE1 4.01Å; M653-F704 HydrophobicContact SD-CE1 4.37Å; F657-F704 HydrophobicContact CB-CD2 4.2Å; F657-F704 HydrophobicContact CB-CE2 3.48Å; F657-F704 VanDerWaalsContact CB-CE2 3.48Å; F657-F704 HydrophobicContact CB-CZ 4.04Å; F657-F704 AromaticContact CD1-CE2 3.95Å; F657-F704 HydrophobicContact CD1-CE2 3.95Å; F657-F704 HydrophobicContact CD1-CZ 4.08Å; F657-F704 HydrophobicContact CD2-CE1 4.38Å; F657-F704 AromaticContact CD2-CE2 3.88Å; F657-F704 HydrophobicContact CD2-CE2 3.88Å; F657-F704 AromaticContact CD2-CZ 3.49Å; F657-F704 HydrophobicContact CD2-CZ 3.49Å; F657-F704 VanDerWaalsContact CD2-CZ 3.49Å; F657-F704 HydrophobicContact CE1-CZ 4.43Å; F657-F704 AromaticContact CE2-CZ 3.9Å; F657-F704 HydrophobicContact CE2-CZ 3.9Å; F657-F704 AromaticContact CG-CE2 3.5Å; F657-F704 HydrophobicContact CG-CE2 3.5Å; F657-F704 VanDerWaalsContact CG-CE2 3.5Å; F657-F704 AromaticContact CG-CZ 3.6Å; F657-F704 HydrophobicContact CG-CZ 3.6Å; F657-F704 HydrophobicContact CZ-CZ 4.35Å; F658-F704 HydrophobicContact CE2-CB 3.97Å; F658-F704 AromaticContact CE2-CD2 3.73Å; F658-F704 HydrophobicContact CE2-CD2 3.73Å; F658-F704 HydrophobicContact CE2-CG 4.1Å; F658-F704 HydrophobicContact CZ-CB 4.04Å; F658-F704 HydrophobicContact CZ-CD2 4.21Å; A685-F704 CarbonylContact C-O 3.58Å; A685-F704 WeakPolarHBondContact CA-O 3.11Å; A685-F704 WeakPolarHBondContact CB-O 3.25Å; F686-F704 HydrophobicContact CD1-CB 4.23Å; F686-F704 HydrophobicContact CD1-CD1 4.06Å; F686-F704 HydrophobicContact CD2-CB 4.05Å; F686-F704 HydrophobicContact CE1-CB 3.85Å; F686-F704 AromaticContact CE1-CD1 3.56Å; F686-F704 HydrophobicContact CE1-CD1 3.56Å; F686-F704 HydrophobicContact CE1-CE1 4.43Å; F686-F704 AromaticContact CE1-CG 3.96Å; F686-F704 HydrophobicContact CE1-CG 3.96Å; F686-F704 HydrophobicContact CE2-CB 3.67Å; F686-F704 HydrophobicContact CG-CB 4.32Å; F686-F704 HydrophobicContact CZ-CB 3.56Å; F686-F704 HydrophobicContact CZ-CD1 4.02Å; F686-F704 AromaticContact CZ-CG 3.93Å; F686-F704 HydrophobicContact CZ-CG 3.93Å; F686-F704 PolarHBondContact N-O 3.12Å; F686-F704 PolarHBondContact O-N 2.93Å; F704-H706 HydrophobicContact CE1-CB 4.07Å; F704-H706 HydrophobicContact CZ-CB 4.31Å
705	V	96.9	Very high	93.4	Very high	13 Å²	13	48 Å²	48	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.4	162.2	179.9	0	0	0	0	107.1	A685 W709 R710 I714 A715 M718	A685-V705 HydrophobicContact CB-CB 4.23Å; A685-V705 HydrophobicContact CB-CG1 4.33Å; A685-V705 HydrophobicContact CB-CG2 3.82Å; V705-W709 HydrophobicContact CG1-CB 4.05Å; V705-R710 HydrophobicContact CB-CG 4.13Å; V705-R710 HydrophobicContact CG1-CG 3.92Å; V705-R710 PolarHBondContact O-NE 2.89Å; V705-R710 PolarHBondContact O-NH2 2.8Å; V705-I714 HydrophobicContact CG2-CB 4.39Å; V705-I714 HydrophobicContact CG2-CG2 4.32Å; V705-A715 HydrophobicContact CG2-CB 3.86Å; V705-M718 HydrophobicContact CG2-CE 3.62Å
706	H	95.6	Very high	94.3	Very high	39 Å²	39	40.5 Å²	40.5	18%	0.181	21%	0.207	C	C	.	.			trans	-57.5	136	178.7	-168.9	-96.4	0	0	0	110.6	F657 I684 F704 E708 W709 R710	F657-H706 AromaticContact CE2-CD2 3.91Å; F657-H706 AromaticContact CZ-CD2 3.72Å; F657-H706 AromaticContact CZ-NE2 3.56Å; I684-H706 WeakPolarHBondContact O-CB 3.4Å; I684-H706 PolarHBondContact O-N 3.32Å; F704-H706 HydrophobicContact CE1-CB 4.07Å; F704-H706 HydrophobicContact CZ-CB 4.31Å; H706-E708 VanDerWaalsContact C-N 3.29Å; H706-E708 IonicContact CE1-OE2 3.08Å; H706-E708 PolarHBondContact CE1-OE2 3.45Å; H706-E708 IonicContact ND1-OE2 2.73Å; H706-E708 PolarHBondContact ND1-OE2 3.35Å; H706-E708 PolarHBondContact O-N 3.25Å; H706-E708 VanDerWaalsContact O-N 3.08Å; H706-W709 HydrophobicContact CB-CG 4.45Å; H706-W709 AromaticContact ND1-CD1 3.69Å; H706-W709 WeakPolarHBondContact O-CA 3.29Å; H706-W709 PolarHBondContact O-N 2.98Å; H706-R710 PolarHBondContact O-N 3.37Å
707	P	93.5	Very high	94.8	Very high	61 Å²	61	38.8 Å²	38.8	40%	0.396	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-48.4	-43.3	-169.4	-32.2	36.5	0	0	0	115.7	F657 W709 R710	F657-P707 HydrophobicContact CE1-CG 4.05Å; P707-W709 PolarHBondContact O-N 3.07Å; P707-R710 WeakPolarHBondContact O-CB 3.26Å; P707-R710 PolarHBondContact O-N 2.92Å
708	E	93.6	Very high	95.1	Very high	80 Å²	80	37.9 Å²	37.9	37%	0.374	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-70.5	-13	-178.9	-47.5	164.2	110.6	0	0	114.3	K611 H706	K611-E708 HydrophobicContact CB-CB 3.99Å; K611-E708 HydrophobicContact CD-CB 4.04Å; K611-E708 WeakPolarHBondContact CD-OE2 3.18Å; K611-E708 HydrophobicContact CG-CB 4.43Å; K611-E708 PolarHBondContact N-O 3.32Å; K611-E708 IonicContact NZ-OE1 2.63Å; K611-E708 PolarHBondContact NZ-OE1 2.68Å; K611-E708 IonicContact NZ-OE2 2.65Å; K611-E708 PolarHBondContact NZ-OE2 3.22Å; H706-E708 VanDerWaalsContact C-N 3.29Å; H706-E708 IonicContact CE1-OE2 3.08Å; H706-E708 PolarHBondContact CE1-OE2 3.45Å; H706-E708 IonicContact ND1-OE2 2.73Å; H706-E708 PolarHBondContact ND1-OE2 3.35Å; H706-E708 PolarHBondContact O-N 3.25Å; H706-E708 VanDerWaalsContact O-N 3.08Å
709	W	94.6	Very high	95.3	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.061	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-107.1	3.4	-178.1	-59.1	76.1	0	0	0	112.4	P609 K611 L612 L637 Y679 I684 V705 H706 P707 I714	P609-W709 HydrophobicContact CB-CE3 4.28Å; P609-W709 HydrophobicContact CG-CD2 4.36Å; P609-W709 HydrophobicContact CG-CE3 3.47Å; P609-W709 VanDerWaalsContact CG-CE3 3.47Å; P609-W709 HydrophobicContact CG-CZ3 3.85Å; K611-W709 HydrophobicContact CB-CZ2 4.42Å; K611-W709 HydrophobicContact CD-CZ2 3.98Å; K611-W709 HydrophobicContact CG-CZ2 4.46Å; L612-W709 HydrophobicContact CD1-CH2 4.32Å; L612-W709 HydrophobicContact CD1-CZ3 3.9Å; L612-W709 HydrophobicContact CD2-CH2 3.6Å; L612-W709 HydrophobicContact CD2-CZ3 4.01Å; L612-W709 HydrophobicContact CG-CH2 3.81Å; L612-W709 HydrophobicContact CG-CZ3 3.68Å; L637-W709 HydrophobicContact CD2-CE3 4.49Å; L637-W709 HydrophobicContact CD2-CZ3 3.94Å; Y679-W709 AromaticContact CD1-CH2 3.79Å; Y679-W709 HydrophobicContact CD1-CH2 3.79Å; Y679-W709 HydrophobicContact CD2-CH2 4.31Å; Y679-W709 HydrophobicContact CD2-CZ3 4.42Å; Y679-W709 AromaticContact CG-CH2 3.61Å; Y679-W709 HydrophobicContact CG-CH2 3.61Å; Y679-W709 HydrophobicContact CG-CZ3 4.05Å; I684-W709 HydrophobicContact CB-CD2 3.88Å; I684-W709 HydrophobicContact CB-CE3 4.13Å; I684-W709 HydrophobicContact CB-CG 4.11Å; I684-W709 HydrophobicContact CD1-CD2 3.99Å; I684-W709 HydrophobicContact CD1-CE3 3.35Å; I684-W709 HydrophobicContact CD1-CZ3 3.73Å; I684-W709 HydrophobicContact CG1-CE3 4.34Å; I684-W709 HydrophobicContact CG2-CD2 3.69Å; I684-W709 VanDerWaalsContact CG2-CE2 3.5Å; I684-W709 HydrophobicContact CG2-CE3 3.94Å; I684-W709 HydrophobicContact CG2-CG 4.31Å; I684-W709 HydrophobicContact CG2-CH2 3.94Å; I684-W709 HydrophobicContact CG2-CZ2 3.65Å; I684-W709 HydrophobicContact CG2-CZ3 4.07Å; V705-W709 HydrophobicContact CG1-CB 4.05Å; H706-W709 HydrophobicContact CB-CG 4.45Å; H706-W709 AromaticContact ND1-CD1 3.69Å; H706-W709 WeakPolarHBondContact O-CA 3.29Å; H706-W709 PolarHBondContact O-N 2.98Å; P707-W709 PolarHBondContact O-N 3.07Å; W709-I714 HydrophobicContact CB-CD1 4.3Å
710	R	93.3	Very high	95.3	Very high	106 Å²	106	43.2 Å²	43.2	40%	0.4	21%	0.213	S	C	.	.			trans	-74.1	169.9	176.9	-63.7	179.9	-174.4	171.3	3.5	111.6	P610 V705 H706 P707 A712	P610-R710 WeakPolarHBondContact CD-O 3.44Å; V705-R710 HydrophobicContact CB-CG 4.13Å; V705-R710 HydrophobicContact CG1-CG 3.92Å; V705-R710 PolarHBondContact O-NE 2.89Å; V705-R710 PolarHBondContact O-NH2 2.8Å; H706-R710 PolarHBondContact O-N 3.37Å; P707-R710 WeakPolarHBondContact O-CB 3.26Å; P707-R710 PolarHBondContact O-N 2.92Å; R710-A712 VanDerWaalsContact C-N 3.29Å; R710-A712 PolarHBondContact O-N 2.96Å
711	R	90.6	Very high	95.3	Very high	230 Å²	230	43.9 Å²	43.9	87%	0.868	22%	0.216	S	C	*	.	S	Bend	trans	62.7	27.5	-177.7	-53.6	-175.3	-64.7	-104.1	-0.5	114.8
712	A	93.2	Very high	95.4	Very high	19 Å²	19	43.3 Å²	43.3	16%	0.157	21%	0.212	C	C	.	.	S	Bend	trans	-133.1	37	-177.2	0	0	0	0	0	112.9	T607 P609 R710 I714	T607-A712 HydrophobicContact CG2-CB 3.9Å; T607-A712 WeakPolarHBondContact CG2-O 3.34Å; P609-A712 HydrophobicContact CB-CB 3.61Å; R710-A712 VanDerWaalsContact C-N 3.29Å; R710-A712 PolarHBondContact O-N 2.96Å; A712-I714 WeakPolarHBondContact O-CG1 3.47Å; A712-I714 PolarHBondContact O-N 3.4Å
713	G	93.9	Very high	95.4	Very high	42 Å²	42	43.3 Å²	43.3	43%	0.433	21%	0.212	S	C	.	.	S	Bend	trans	67.9	-16.9	175.2	0	0	0	0	0	117.9	A715 T716 F717	G713-A715 PolarHBondContact O-N 3.02Å; G713-T716 WeakPolarHBondContact O-CA 3.44Å; G713-T716 WeakPolarHBondContact O-CB 3.3Å; G713-T716 PolarHBondContact O-N 3.43Å; G713-T716 PolarHBondContact O-OG1 3.45Å; G713-F717 PolarHBondContact O-N 2.94Å
714	I	96.7	Very high	95.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-51.2	-49.2	-173.4	-51.3	-178.2	0	0	0	112.6	T607 L637 Y639 V677 I684 A685 V705 W709 A712 T716 F717 M718	T607-I714 HydrophobicContact CG2-CG1 4.39Å; L637-I714 HydrophobicContact CD1-CD1 3.98Å; L637-I714 HydrophobicContact CD1-CG1 4.23Å; Y639-I714 HydrophobicContact CE1-CG2 3.95Å; V677-I714 HydrophobicContact CB-CG2 4.37Å; V677-I714 HydrophobicContact CG1-CG2 4.24Å; V677-I714 HydrophobicContact CG2-CG2 3.93Å; I684-I714 HydrophobicContact CD1-CD1 3.97Å; A685-I714 HydrophobicContact CB-CG2 3.82Å; V705-I714 HydrophobicContact CG2-CB 4.39Å; V705-I714 HydrophobicContact CG2-CG2 4.32Å; W709-I714 HydrophobicContact CB-CD1 4.3Å; A712-I714 WeakPolarHBondContact O-CG1 3.47Å; A712-I714 PolarHBondContact O-N 3.4Å; I714-T716 VanDerWaalsContact C-N 3.33Å; I714-T716 PolarHBondContact O-N 2.82Å; I714-F717 PolarHBondContact O-N 2.7Å; I714-M718 HydrophobicContact CG2-CE 4.44Å; I714-M718 WeakPolarHBondContact O-CG 3.27Å; I714-M718 PolarHBondContact O-N 3.1Å
715	A	96.4	Very high	94.9	Very high	21 Å²	21	47.2 Å²	47.2	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-36.1	177.5	0	0	0	0	0	112.7	V705 G713 M718 I719 L744	V705-A715 HydrophobicContact CG2-CB 3.86Å; G713-A715 PolarHBondContact O-N 3.02Å; A715-M718 HydrophobicContact CB-CE 4.5Å; A715-M718 PolarHBondContact O-N 3.39Å; A715-I719 WeakPolarHBondContact O-CB 3.24Å; A715-I719 VanDerWaalsContact O-CG1 3.25Å; A715-I719 WeakPolarHBondContact O-CG1 3.47Å; A715-I719 PolarHBondContact O-N 3.44Å; A715-L744 HydrophobicContact CB-CD2 3.56Å
716	T	96.3	Very high	94.4	Very high	62 Å²	62	46.8 Å²	46.8	38%	0.38	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-48.8	175.1	-45.7	0	0	0	0	110.5	G713 I714 I719 Y720 F748	G713-T716 WeakPolarHBondContact O-CA 3.44Å; G713-T716 WeakPolarHBondContact O-CB 3.3Å; G713-T716 PolarHBondContact O-N 3.43Å; G713-T716 PolarHBondContact O-OG1 3.45Å; I714-T716 VanDerWaalsContact C-N 3.33Å; I714-T716 PolarHBondContact O-N 2.82Å; T716-I719 PolarHBondContact O-N 3.06Å; T716-Y720 VanDerWaalsContact O-CB 3.28Å; T716-Y720 WeakPolarHBondContact O-CB 3.4Å; T716-Y720 PolarHBondContact O-N 2.64Å; T716-F748 HydrophobicContact CG2-CE2 3.71Å; T716-F748 HydrophobicContact CG2-CZ 3.58Å; T716-F748 VanDerWaalsContact O-CZ 3.24Å; T716-F748 WeakPolarHBondContact O-CZ 3.38Å
717	F	97.1	Very high	93.8	Very high	38 Å²	38	51.8 Å²	51.8	17%	0.167	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-40.9	178.2	-175.1	-96	0	0	0	112.6	I601 R602 Y639 G713 I714 Y720 H721	I601-F717 HydrophobicContact CG2-CE1 3.96Å; I601-F717 HydrophobicContact CG2-CZ 4.02Å; R602-F717 HydrophobicContact CB-CE1 3.92Å; R602-F717 HydrophobicContact CB-CE2 4.44Å; R602-F717 HydrophobicContact CB-CZ 3.63Å; R602-F717 HydrophobicContact CG-CZ 4.31Å; Y639-F717 AromaticContact CD1-CD1 3.42Å; Y639-F717 HydrophobicContact CD1-CD1 3.42Å; Y639-F717 VanDerWaalsContact CD1-CD1 3.42Å; Y639-F717 AromaticContact CD1-CE1 3.82Å; Y639-F717 HydrophobicContact CD1-CE1 3.82Å; Y639-F717 HydrophobicContact CD2-CD1 4.45Å; Y639-F717 HydrophobicContact CD2-CE1 4.45Å; Y639-F717 HydrophobicContact CE1-CB 4.21Å; Y639-F717 AromaticContact CE1-CD1 3.5Å; Y639-F717 HydrophobicContact CE1-CD1 3.5Å; Y639-F717 VanDerWaalsContact CE1-CD1 3.5Å; Y639-F717 HydrophobicContact CE1-CE1 4.3Å; Y639-F717 HydrophobicContact CE1-CG 4.2Å; Y639-F717 HydrophobicContact CE2-CD1 4.5Å; Y639-F717 AromaticContact CG-CD1 3.94Å; Y639-F717 HydrophobicContact CG-CD1 3.94Å; Y639-F717 AromaticContact CG-CE1 3.91Å; Y639-F717 HydrophobicContact CG-CE1 3.91Å; G713-F717 PolarHBondContact O-N 2.94Å; I714-F717 PolarHBondContact O-N 2.7Å; F717-Y720 PolarHBondContact O-N 3.41Å; F717-H721 WeakPolarHBondContact O-CB 3.25Å; F717-H721 PolarHBondContact O-N 3.36Å
718	M	97.6	Very high	93.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-46.5	175.9	-68.9	-167.3	-62.8	0	0	112.3	V675 V677 A685 F686 L703 V705 I714 A715 H721 L722	V675-M718 HydrophobicContact CB-CB 4.49Å; V675-M718 HydrophobicContact CB-CG 4.02Å; V675-M718 HydrophobicContact CB-SD 4.35Å; V675-M718 HydrophobicContact CG1-CG 3.84Å; V675-M718 HydrophobicContact CG1-SD 4.36Å; V677-M718 HydrophobicContact CG2-CG 4.11Å; V677-M718 HydrophobicContact CG2-SD 3.73Å; A685-M718 HydrophobicContact CB-CE 3.85Å; A685-M718 HydrophobicContact CB-SD 4.06Å; F686-M718 VanDerWaalsContact C-SD 3.54Å; L703-M718 HydrophobicContact CD1-CB 4.06Å; L703-M718 HydrophobicContact CD1-CE 3.78Å; L703-M718 HydrophobicContact CD1-SD 4.43Å; L703-M718 HydrophobicContact CG-CE 4.41Å; V705-M718 HydrophobicContact CG2-CE 3.62Å; I714-M718 HydrophobicContact CG2-CE 4.44Å; I714-M718 WeakPolarHBondContact O-CG 3.27Å; I714-M718 PolarHBondContact O-N 3.1Å; A715-M718 HydrophobicContact CB-CE 4.5Å; A715-M718 PolarHBondContact O-N 3.39Å; M718-H721 PolarHBondContact O-N 3.23Å; M718-L722 VanDerWaalsContact O-CG 3.29Å; M718-L722 WeakPolarHBondContact O-CG 3.47Å; M718-L722 PolarHBondContact O-N 3.44Å
719	I	96.8	Very high	93.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-47.8	177.9	-68.7	167	0	0	0	110.3	L703 A715 T716 H721 L722 I723 L744 Y745 F748 F750	L703-I719 HydrophobicContact CD1-CG1 4.45Å; L703-I719 HydrophobicContact CD2-CD1 3.65Å; L703-I719 HydrophobicContact CD2-CG1 3.56Å; A715-I719 WeakPolarHBondContact O-CB 3.24Å; A715-I719 VanDerWaalsContact O-CG1 3.25Å; A715-I719 WeakPolarHBondContact O-CG1 3.47Å; A715-I719 PolarHBondContact O-N 3.44Å; T716-I719 PolarHBondContact O-N 3.06Å; I719-H721 PolarHBondContact O-N 3.41Å; I719-L722 PolarHBondContact O-N 3.21Å; I719-I723 HydrophobicContact CG2-CD1 3.41Å; I719-I723 VanDerWaalsContact CG2-CD1 3.41Å; I719-I723 HydrophobicContact CG2-CG1 4.31Å; I719-I723 WeakPolarHBondContact O-CB 3.45Å; I719-I723 WeakPolarHBondContact O-CD1 3.07Å; I719-I723 VanDerWaalsContact O-CG1 3.22Å; I719-I723 WeakPolarHBondContact O-CG1 3.35Å; I719-I723 PolarHBondContact O-N 2.95Å; I719-L744 HydrophobicContact CD1-CD2 3.63Å; I719-L744 HydrophobicContact CD1-CG 3.85Å; I719-Y745 HydrophobicContact CD1-CD1 4Å; I719-Y745 HydrophobicContact CD1-CE1 3.75Å; I719-Y745 HydrophobicContact CG1-CE1 4.5Å; I719-F748 HydrophobicContact CB-CD2 4.24Å; I719-F748 HydrophobicContact CB-CE1 4.43Å; I719-F748 HydrophobicContact CB-CE2 3.89Å; I719-F748 HydrophobicContact CB-CZ 4Å; I719-F748 HydrophobicContact CD1-CD2 4.24Å; I719-F748 HydrophobicContact CD1-CE2 4.2Å; I719-F748 HydrophobicContact CG2-CB 4.4Å; I719-F748 HydrophobicContact CG2-CD1 3.77Å; I719-F748 HydrophobicContact CG2-CD2 3.61Å; I719-F748 HydrophobicContact CG2-CE1 3.88Å; I719-F748 HydrophobicContact CG2-CE2 3.72Å; I719-F748 HydrophobicContact CG2-CG 3.65Å; I719-F748 HydrophobicContact CG2-CZ 3.86Å; I719-F750 HydrophobicContact CG2-CE2 4.31Å
720	Y	96.1	Very high	93.2	Very high	117 Å²	117	50.1 Å²	50.1	46%	0.459	26%	0.255	S	S	.	.	H	α-helix	trans	-55	-49.2	176.8	174.1	-93.2	0	0	0	112.4	T716 F717 I723 Q724	T716-Y720 VanDerWaalsContact O-CB 3.28Å; T716-Y720 WeakPolarHBondContact O-CB 3.4Å; T716-Y720 PolarHBondContact O-N 2.64Å; F717-Y720 PolarHBondContact O-N 3.41Å; Y720-I723 PolarHBondContact O-N 3.28Å; Y720-Q724 VanDerWaalsContact CE1-CD 3.46Å; Y720-Q724 WeakPolarHBondContact O-CG 3.05Å; Y720-Q724 PolarHBondContact O-N 2.99Å; Y720-Q724 PolarHBondContact OH-NE2 3.11Å
721	H	96.3	Very high	93.3	Very high	18 Å²	18	45 Å²	45	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-48.9	179.3	179.1	75.4	0	0	0	112.3	I601 Y641 V675 F717 M718 I719 I723 Q724 T725	I601-H721 WeakPolarHBondContact CG2-ND1 3.26Å; Y641-H721 AromaticContact CE1-NE2 3.64Å; V675-H721 HydrophobicContact CG2-CB 4.28Å; V675-H721 VanDerWaalsContact CG2-CD2 3.44Å; V675-H721 WeakPolarHBondContact CG2-CD2 3.42Å; F717-H721 WeakPolarHBondContact O-CB 3.25Å; F717-H721 PolarHBondContact O-N 3.36Å; M718-H721 PolarHBondContact O-N 3.23Å; I719-H721 PolarHBondContact O-N 3.41Å; H721-I723 VanDerWaalsContact C-N 3.3Å; H721-I723 PolarHBondContact O-N 3.3Å; H721-Q724 PolarHBondContact O-N 3.36Å; H721-Q724 VanDerWaalsContact O-N 3.1Å; H721-T725 PolarHBondContact O-N 3.45Å; H721-T725 PolarHBondContact O-OG1 3.19Å; H721-T725 VanDerWaalsContact O-OG1 3.13Å
722	L	95.8	Very high	93.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-44.1	178.5	-68.7	172.5	0	0	0	111.3	F673 V675 M689 M718 I719 Q724 T725 C726	F673-L722 VanDerWaalsContact C-CD2 3.44Å; F673-L722 VanDerWaalsContact O-CD2 3.3Å; F673-L722 WeakPolarHBondContact O-CD2 3.47Å; V675-L722 HydrophobicContact CG2-CD2 4.3Å; V675-L722 HydrophobicContact CG2-CG 4.31Å; M689-L722 HydrophobicContact CB-CD1 4.46Å; M689-L722 HydrophobicContact CB-CD2 4.04Å; M689-L722 HydrophobicContact CE-CB 4.08Å; M689-L722 HydrophobicContact CE-CD2 4.45Å; M689-L722 WeakPolarHBondContact CE-O 3.5Å; M689-L722 HydrophobicContact SD-CB 4.26Å; M718-L722 VanDerWaalsContact O-CG 3.29Å; M718-L722 WeakPolarHBondContact O-CG 3.47Å; M718-L722 PolarHBondContact O-N 3.44Å; I719-L722 PolarHBondContact O-N 3.21Å; L722-Q724 VanDerWaalsContact C-N 3.31Å; L722-Q724 PolarHBondContact O-N 3.39Å; L722-T725 PolarHBondContact O-N 2.99Å; L722-C726 PolarHBondContact O-N 2.86Å
723	I	94.6	Very high	93.7	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-32.7	177.2	-72.2	170.6	0	0	0	112.5	I719 Y720 H721 C726 V731 F748 F750 L779 R781	I719-I723 HydrophobicContact CG2-CD1 3.41Å; I719-I723 VanDerWaalsContact CG2-CD1 3.41Å; I719-I723 HydrophobicContact CG2-CG1 4.31Å; I719-I723 WeakPolarHBondContact O-CB 3.45Å; I719-I723 WeakPolarHBondContact O-CD1 3.07Å; I719-I723 VanDerWaalsContact O-CG1 3.22Å; I719-I723 WeakPolarHBondContact O-CG1 3.35Å; I719-I723 PolarHBondContact O-N 2.95Å; Y720-I723 PolarHBondContact O-N 3.28Å; H721-I723 VanDerWaalsContact C-N 3.3Å; H721-I723 PolarHBondContact O-N 3.3Å; I723-C726 CarbonylContact O-C 3.57Å; I723-V731 HydrophobicContact CG1-CG1 4.38Å; I723-V731 HydrophobicContact CG1-CG2 4.29Å; I723-F748 HydrophobicContact CD1-CD1 3.96Å; I723-F748 HydrophobicContact CD1-CG 4.49Å; I723-F750 HydrophobicContact CD1-CE2 3.84Å; I723-F750 HydrophobicContact CD1-CZ 4.05Å; I723-L779 HydrophobicContact CD1-CD2 3.7Å; I723-L779 HydrophobicContact CG1-CD2 4.24Å; I723-L779 HydrophobicContact CG2-CD2 4.16Å; I723-R781 VanDerWaalsContact CG2-NH1 3.26Å; I723-R781 PolarHBondContact O-NH1 3.1Å; I723-R781 VanDerWaalsContact O-NH1 3.07Å
724	Q	93.1	Very high	93.7	Very high	86 Å²	86	32.2 Å²	32.2	40%	0.402	17%	0.172	S	C	.	.	H	α-helix	trans	-73.2	-37.8	173	-77.6	-175	-31.9	0	0	112.6	Y720 H721 L722 C726 M727	Y720-Q724 VanDerWaalsContact CE1-CD 3.46Å; Y720-Q724 WeakPolarHBondContact O-CG 3.05Å; Y720-Q724 PolarHBondContact O-N 2.99Å; Y720-Q724 PolarHBondContact OH-NE2 3.11Å; H721-Q724 PolarHBondContact O-N 3.36Å; H721-Q724 VanDerWaalsContact O-N 3.1Å; L722-Q724 VanDerWaalsContact C-N 3.31Å; L722-Q724 PolarHBondContact O-N 3.39Å; Q724-C726 PolarHBondContact O-N 3.48Å; Q724-M727 WeakPolarHBondContact O-CG 3.45Å; Q724-M727 PolarHBondContact O-N 3.07Å
725	T	90.2	Very high	93.6	Very high	35 Å²	35	32.2 Å²	32.2	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-23.9	178.3	-49.8	0	0	0	0	112.2	D672 F673 H721 L722	D672-T725 HydrophobicContact CB-CG2 4.22Å; F673-T725 HydrophobicContact CD1-CG2 3.73Å; F673-T725 HydrophobicContact CE1-CG2 3.66Å; F673-T725 HydrophobicContact CG-CG2 4.37Å; F673-T725 HydrophobicContact CZ-CG2 4.23Å; H721-T725 PolarHBondContact O-N 3.45Å; H721-T725 PolarHBondContact O-OG1 3.19Å; H721-T725 VanDerWaalsContact O-OG1 3.13Å; L722-T725 PolarHBondContact O-N 2.99Å
726	C	87.1	Confident	93.4	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.034	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	45.5	170.1	-81.5	0	0	0	0	114.2	F673 M689 A698 L722 I723 Q724 G728 K729	F673-C726 VanDerWaalsContact CD1-SG 3.53Å; F673-C726 WeakPolarHBondContact CE1-SG 3.22Å; M689-C726 HydrophobicContact CE-CB 3.78Å; M689-C726 WeakPolarHBondContact CE-SG 3.31Å; M689-C726 HydrophobicContact SD-CB 4.49Å; A698-C726 HydrophobicContact CB-CB 4.1Å; L722-C726 PolarHBondContact O-N 2.86Å; I723-C726 CarbonylContact O-C 3.57Å; Q724-C726 PolarHBondContact O-N 3.48Å; C726-G728 PolarHBondContact O-N 2.86Å; C726-K729 PolarHBondContact O-N 3.3Å
727	M	83.1	Confident	93.1	Very high	144 Å²	144	30.4 Å²	30.4	71%	0.709	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	139.4	168.5	-81.5	174.8	72.5	0	0	112.4	Q724	Q724-M727 WeakPolarHBondContact O-CG 3.45Å; Q724-M727 PolarHBondContact O-N 3.07Å
728	G	83.9	Confident	92.8	Very high	47 Å²	47	32.6 Å²	32.6	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	7.8	-179.2	0	0	0	0	0	115.9	N696 C726	N696-G728 PolarHBondContact ND2-O 2.94Å; N696-G728 PolarHBondContact OD1-O 3.19Å; N696-G728 VanDerWaalsContact OD1-O 3.11Å; C726-G728 PolarHBondContact O-N 2.86Å
729	K	90.4	Very high	92.5	Very high	47 Å²	47	35.4 Å²	35.4	20%	0.204	20%	0.197	C	C	.	.	S	Bend	trans	-124	146.6	175.7	-59.6	-173.1	-171.8	-173.8	0	111.2	D692 C726	D692-K729 IonicContact OD1-NZ 3.48Å; D692-K729 PolarHBondContact OD1-NZ 2.78Å; D692-K729 IonicContact OD2-NZ 2.95Å; D692-K729 PolarHBondContact OD2-NZ 3.33Å; C726-K729 PolarHBondContact O-N 3.3Å
730	D	94.6	Very high	92.1	Very high	27 Å²	27	40.6 Å²	40.6	14%	0.144	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.6	167.8	-76.9	-2.4	0	0	0	109.1	N696 E697 A698 R778 L779 R780 R781	N696-D730 PolarHBondContact O-N 3Å; E697-D730 WeakPolarHBondContact CA-O 3.45Å; E697-D730 HydrophobicContact CG-CB 4.39Å; A698-D730 PolarHBondContact N-O 3.02Å; D730-R778 HydrophobicContact CB-CG 4.23Å; D730-R778 WeakPolarHBondContact OD2-CD 3.14Å; D730-R778 IonicContact OD2-NE 2.62Å; D730-L779 WeakPolarHBondContact CA-O 3.23Å; D730-R780 WeakPolarHBondContact OD1-CA 3.43Å; D730-R781 PolarHBondContact OD1-N 3.49Å
731	V	96	Very high	91.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.2	177.5	-176.2	0	0	0	0	108.7	M689 I700 I723 F750 R778 L779	M689-V731 HydrophobicContact SD-CG1 4.13Å; I700-V731 HydrophobicContact CD1-CG1 3.79Å; I700-V731 HydrophobicContact CG1-CG1 3.84Å; I723-V731 HydrophobicContact CG1-CG1 4.38Å; I723-V731 HydrophobicContact CG1-CG2 4.29Å; V731-F750 HydrophobicContact CB-CE1 4.25Å; V731-F750 HydrophobicContact CB-CZ 4.27Å; V731-F750 HydrophobicContact CG1-CE1 4.04Å; V731-F750 HydrophobicContact CG1-CZ 3.9Å; V731-F750 WeakPolarHBondContact O-CE1 3.33Å; V731-R778 WeakPolarHBondContact O-CA 3.48Å; V731-L779 HydrophobicContact CB-CB 4.44Å; V731-L779 PolarHBondContact N-O 3.01Å; V731-L779 PolarHBondContact O-N 2.94Å
732	T	95.8	Very high	91.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.5	-173.1	55.4	0	0	0	0	111.8	A698 Y699 I700 F776 L777 R778	A698-T732 PolarHBondContact O-N 3.24Å; A698-T732 PolarHBondContact O-OG1 3.25Å; Y699-T732 CarbonylContact C-O 3.49Å; Y699-T732 VanDerWaalsContact CA-O 3.32Å; Y699-T732 WeakPolarHBondContact CA-O 3.5Å; Y699-T732 WeakPolarHBondContact CD2-OG1 2.95Å; I700-T732 PolarHBondContact N-O 3.3Å; T732-F776 HydrophobicContact CG2-CE2 4.22Å; T732-F776 HydrophobicContact CG2-CZ 3.71Å; T732-L777 CarbonylContact C-O 3.59Å; T732-L777 VanDerWaalsContact CA-O 3.27Å; T732-L777 WeakPolarHBondContact CA-O 3.39Å; T732-R778 HydrophobicContact CG2-CB 4.06Å; T732-R778 HydrophobicContact CG2-CG 3.81Å
733	L	95.9	Very high	91.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	160.3	170.3	68.9	160.6	0	0	0	112.5	I700 V735 Y745 F750 L777	I700-L733 HydrophobicContact CB-CB 4.14Å; L733-V735 HydrophobicContact CD1-CG2 3.43Å; L733-V735 VanDerWaalsContact CD1-CG2 3.43Å; L733-V735 HydrophobicContact CG-CG2 3.83Å; L733-Y745 HydrophobicContact CD1-CD1 3.94Å; L733-Y745 HydrophobicContact CD1-CD2 4.42Å; L733-Y745 HydrophobicContact CD1-CE1 3.5Å; L733-Y745 VanDerWaalsContact CD1-CE1 3.5Å; L733-Y745 HydrophobicContact CD1-CE2 4.02Å; L733-Y745 HydrophobicContact CD1-CG 4.39Å; L733-F750 HydrophobicContact CD2-CD1 3.45Å; L733-F750 VanDerWaalsContact CD2-CD1 3.45Å; L733-F750 HydrophobicContact CD2-CE1 3.25Å; L733-F750 HydrophobicContact CD2-CG 4.29Å; L733-F750 HydrophobicContact CD2-CZ 3.95Å; L733-L777 HydrophobicContact CD2-CB 3.84Å; L733-L777 HydrophobicContact CD2-CD1 4.38Å; L733-L777 HydrophobicContact CG-CB 4.27Å; L733-L777 PolarHBondContact N-O 2.98Å; L733-L777 PolarHBondContact O-N 3.25Å
734	H	94.6	Very high	91.4	Very high	16 Å²	16	44.7 Å²	44.7	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.9	164.2	-66.7	88.7	0	0	0	110.4	F549 Y699 F759 Y760 A774 F775 F776	F549-H734 AromaticContact CD1-CE1 3.7Å; F549-H734 AromaticContact CD1-NE2 3.41Å; F549-H734 WeakPolarHBondContact CD1-NE2 3.41Å; F549-H734 AromaticContact CE1-NE2 3.37Å; F549-H734 WeakPolarHBondContact CE1-NE2 3.35Å; Y699-H734 AromaticContact CE2-ND1 3.4Å; Y699-H734 WeakPolarHBondContact CE2-ND1 3.35Å; Y699-H734 AromaticContact CZ-ND1 3.56Å; Y699-H734 PolarHBondContact OH-ND1 2.94Å; H734-F759 HydrophobicContact CB-CD1 4.25Å; H734-F759 HydrophobicContact CB-CE1 3.66Å; H734-F759 HydrophobicContact CB-CE2 4.23Å; H734-F759 HydrophobicContact CB-CZ 3.65Å; H734-F759 AromaticContact CD2-CD2 3.73Å; H734-F759 AromaticContact CD2-CE2 3.44Å; H734-F759 VanDerWaalsContact CD2-CE2 3.44Å; H734-F759 WeakPolarHBondContact CD2-CE2 3.3Å; H734-F759 AromaticContact CD2-CZ 3.79Å; H734-F759 AromaticContact CE1-CE2 3.65Å; H734-F759 AromaticContact CE1-CZ 3.99Å; H734-F759 AromaticContact CG-CE1 3.88Å; H734-F759 AromaticContact CG-CE2 3.51Å; H734-F759 AromaticContact CG-CZ 3.35Å; H734-F759 AromaticContact ND1-CE2 3.63Å; H734-F759 AromaticContact ND1-CZ 3.48Å; H734-F759 WeakPolarHBondContact ND1-CZ 3.5Å; H734-F759 AromaticContact NE2-CE2 3.54Å; H734-Y760 PolarHBondContact O-OH 3.01Å; H734-A774 HydrophobicContact CB-CB 4.25Å; H734-F775 WeakPolarHBondContact CA-O 3.47Å; H734-F776 AromaticContact CD2-CD2 3.89Å; H734-F776 AromaticContact CE1-CD2 3.5Å; H734-F776 AromaticContact CE1-CE2 3.95Å; H734-F776 AromaticContact NE2-CD2 3.4Å; H734-F776 WeakPolarHBondContact NE2-CD2 3.37Å; H734-F776 AromaticContact NE2-CG 3.98Å
735	V	93.8	Very high	91.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.9	-179.6	-176.7	0	0	0	0	109.3	L733 A737 N739 M742 Y745 A774 F775 L777	L733-V735 HydrophobicContact CD1-CG2 3.43Å; L733-V735 VanDerWaalsContact CD1-CG2 3.43Å; L733-V735 HydrophobicContact CG-CG2 3.83Å; V735-A737 PolarHBondContact O-N 3.03Å; V735-N739 HydrophobicContact CG1-CB 3.68Å; V735-M742 HydrophobicContact CB-SD 3.94Å; V735-M742 HydrophobicContact CG1-CG 4.24Å; V735-M742 HydrophobicContact CG1-SD 3.61Å; V735-Y745 HydrophobicContact CB-CE2 4.43Å; V735-Y745 HydrophobicContact CG1-CD2 4.37Å; V735-Y745 HydrophobicContact CG1-CE2 3.95Å; V735-Y745 HydrophobicContact CG2-CD2 3.81Å; V735-Y745 HydrophobicContact CG2-CE2 3.52Å; V735-A774 CarbonylContact O-C 3.57Å; V735-A774 VanDerWaalsContact O-CA 3.25Å; V735-A774 WeakPolarHBondContact O-CA 3.31Å; V735-F775 PolarHBondContact N-O 3.25Å; V735-F775 PolarHBondContact O-N 3.29Å; V735-L777 HydrophobicContact CB-CD1 4.38Å; V735-L777 HydrophobicContact CG2-CD1 3.67Å; V735-L777 HydrophobicContact CG2-CG 4.22Å
736	S	92.8	Very high	91.8	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	136.1	174.2	178.1	0	0	0	0	111.5	S738 N739 Y760 C771 H773	S736-S738 PolarHBondContact O-N 3.37Å; S736-S738 VanDerWaalsContact O-N 3.09Å; S736-N739 WeakPolarHBondContact O-CB 3.39Å; S736-N739 PolarHBondContact O-N 3.22Å; S736-Y760 PolarHBondContact N-OH 3.47Å; S736-C771 PolarHBondContact OG-O 3.37Å; S736-H773 WeakPolarHBondContact CA-O 3.33Å
737	A	90.5	Very high	92.1	Very high	32 Å²	32	54.4 Å²	54.4	26%	0.264	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.5	-170.6	0	0	0	0	0	113.9	V735 Y755 H773 F775	V735-A737 PolarHBondContact O-N 3.03Å; A737-Y755 HydrophobicContact CB-CE2 3.9Å; A737-H773 HydrophobicContact CB-CB 4.43Å; A737-H773 PolarHBondContact N-O 3.11Å; A737-F775 HydrophobicContact CB-CD2 4.17Å; A737-F775 HydrophobicContact CB-CE2 3.79Å; A737-F775 HydrophobicContact CB-CZ 4.49Å
738	S	90.8	Very high	92.7	Very high	84 Å²	84	49.7 Å²	49.7	59%	0.587	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	10.5	174	65.6	0	0	0	0	114.3	S736 C771	S736-S738 PolarHBondContact O-N 3.37Å; S736-S738 VanDerWaalsContact O-N 3.09Å; S738-C771 WeakPolarHBondContact OG-CB 3.32Å
739	N	90.3	Very high	93.2	Very high	60 Å²	60	49.2 Å²	49.2	32%	0.321	27%	0.273	S	S	.	.			trans	-81	121.2	-175.1	-171	-23.8	0	0	0	111.7	V735 S736 A741 M742	V735-N739 HydrophobicContact CG1-CB 3.68Å; S736-N739 WeakPolarHBondContact O-CB 3.39Å; S736-N739 PolarHBondContact O-N 3.22Å; N739-A741 PolarHBondContact O-N 2.99Å; N739-A741 VanDerWaalsContact OD1-CB 3.24Å; N739-A741 WeakPolarHBondContact OD1-CB 3.35Å; N739-A741 PolarHBondContact OD1-N 3.34Å; N739-M742 WeakPolarHBondContact O-CG 3.44Å; N739-M742 PolarHBondContact O-N 3.29Å
740	P	88.4	Confident	93.5	Very high	108 Å²	108	47.5 Å²	47.5	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.9	179.2	27.5	-36.1	0	0	0	114.2	M742	P740-M742 PolarHBondContact O-N 3.19Å
741	A	90.9	Very high	93.6	Very high	24 Å²	24	53.6 Å²	53.6	20%	0.198	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.7	175.9	0	0	0	0	0	114.6	N739 L743 L744 Y745	N739-A741 PolarHBondContact O-N 2.99Å; N739-A741 VanDerWaalsContact OD1-CB 3.24Å; N739-A741 WeakPolarHBondContact OD1-CB 3.35Å; N739-A741 PolarHBondContact OD1-N 3.34Å; A741-L743 VanDerWaalsContact C-N 3.26Å; A741-L743 PolarHBondContact O-N 3Å; A741-L744 WeakPolarHBondContact O-CA 3.37Å; A741-L744 VanDerWaalsContact O-CB 3.3Å; A741-L744 WeakPolarHBondContact O-CB 3.39Å; A741-L744 PolarHBondContact O-N 2.89Å; A741-Y745 HydrophobicContact CB-CD2 4.36Å; A741-Y745 HydrophobicContact CB-CE2 3.71Å; A741-Y745 WeakPolarHBondContact O-CD2 3.32Å; A741-Y745 PolarHBondContact O-N 2.95Å
742	M	91.6	Very high	93.5	Very high	46 Å²	46	57.3 Å²	57.3	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-51.5	-43.2	177.7	-74.2	-65.9	-69.2	0	0	113	V735 N739 P740 L744 Y745 Q746 F775 L777	V735-M742 HydrophobicContact CB-SD 3.94Å; V735-M742 HydrophobicContact CG1-CG 4.24Å; V735-M742 HydrophobicContact CG1-SD 3.61Å; N739-M742 WeakPolarHBondContact O-CG 3.44Å; N739-M742 PolarHBondContact O-N 3.29Å; P740-M742 PolarHBondContact O-N 3.19Å; M742-L744 VanDerWaalsContact C-N 3.27Å; M742-L744 PolarHBondContact O-N 2.81Å; M742-Y745 PolarHBondContact O-N 3.44Å; M742-Q746 PolarHBondContact O-N 3.37Å; M742-F775 HydrophobicContact CE-CB 4.06Å; M742-F775 HydrophobicContact CE-CD2 3.46Å; M742-F775 VanDerWaalsContact CE-CD2 3.46Å; M742-F775 HydrophobicContact CE-CE2 4.07Å; M742-F775 HydrophobicContact CE-CG 3.83Å; M742-F775 HydrophobicContact SD-CB 4.4Å; M742-F775 HydrophobicContact SD-CD2 3.91Å; M742-L777 HydrophobicContact CE-CD2 4.18Å; M742-L777 HydrophobicContact SD-CD1 4.19Å
743	L	92.1	Very high	93.4	Very high	118 Å²	118	60.3 Å²	60.3	62%	0.618	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-26.3	176.4	-65.9	174.4	0	0	0	113.5	A741 K747	A741-L743 VanDerWaalsContact C-N 3.26Å; A741-L743 PolarHBondContact O-N 3Å; L743-K747 WeakPolarHBondContact O-CG 3.49Å; L743-K747 PolarHBondContact O-N 2.69Å
744	L	94.8	Very high	93.3	Very high	39 Å²	39	64.2 Å²	64.2	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-72.2	-46.1	174.9	178.8	63.2	0	0	0	110.5	A715 I719 A741 M742 K747 F748	A715-L744 HydrophobicContact CB-CD2 3.56Å; I719-L744 HydrophobicContact CD1-CD2 3.63Å; I719-L744 HydrophobicContact CD1-CG 3.85Å; A741-L744 WeakPolarHBondContact O-CA 3.37Å; A741-L744 VanDerWaalsContact O-CB 3.3Å; A741-L744 WeakPolarHBondContact O-CB 3.39Å; A741-L744 PolarHBondContact O-N 2.89Å; M742-L744 VanDerWaalsContact C-N 3.27Å; M742-L744 PolarHBondContact O-N 2.81Å; L744-K747 PolarHBondContact O-N 3.18Å; L744-F748 HydrophobicContact CD1-CD2 4.35Å; L744-F748 HydrophobicContact CD1-CE2 4.08Å; L744-F748 WeakPolarHBondContact O-CD2 3.17Å; L744-F748 PolarHBondContact O-N 3.4Å
745	Y	95.8	Very high	93.3	Very high	13 Å²	13	68.7 Å²	68.7	5%	0.051	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-40.6	177.2	-56.6	-60.1	0	0	0	111.5	L703 I719 L733 V735 A741 M742 K747 F748 G749 F750 L777	L703-Y745 HydrophobicContact CD2-CE1 4.01Å; I719-Y745 HydrophobicContact CD1-CD1 4Å; I719-Y745 HydrophobicContact CD1-CE1 3.75Å; I719-Y745 HydrophobicContact CG1-CE1 4.5Å; L733-Y745 HydrophobicContact CD1-CD1 3.94Å; L733-Y745 HydrophobicContact CD1-CD2 4.42Å; L733-Y745 HydrophobicContact CD1-CE1 3.5Å; L733-Y745 VanDerWaalsContact CD1-CE1 3.5Å; L733-Y745 HydrophobicContact CD1-CE2 4.02Å; L733-Y745 HydrophobicContact CD1-CG 4.39Å; V735-Y745 HydrophobicContact CB-CE2 4.43Å; V735-Y745 HydrophobicContact CG1-CD2 4.37Å; V735-Y745 HydrophobicContact CG1-CE2 3.95Å; V735-Y745 HydrophobicContact CG2-CD2 3.81Å; V735-Y745 HydrophobicContact CG2-CE2 3.52Å; A741-Y745 HydrophobicContact CB-CD2 4.36Å; A741-Y745 HydrophobicContact CB-CE2 3.71Å; A741-Y745 WeakPolarHBondContact O-CD2 3.32Å; A741-Y745 PolarHBondContact O-N 2.95Å; M742-Y745 PolarHBondContact O-N 3.44Å; Y745-K747 VanDerWaalsContact C-N 3.31Å; Y745-K747 PolarHBondContact O-N 3.26Å; Y745-F748 WeakPolarHBondContact O-CA 3.3Å; Y745-F748 WeakPolarHBondContact O-CB 3.46Å; Y745-F748 PolarHBondContact O-N 3.3Å; Y745-G749 PolarHBondContact O-N 2.93Å; Y745-F750 WeakPolarHBondContact O-CB 3.41Å; Y745-F750 WeakPolarHBondContact O-CD2 3.48Å; Y745-F750 PolarHBondContact O-N 2.91Å; Y745-L777 HydrophobicContact CD2-CD1 3.93Å; Y745-L777 HydrophobicContact CG-CD1 3.98Å
746	Q	94	Very high	93.1	Very high	133 Å²	133	69.1 Å²	69.1	62%	0.621	37%	0.365	S	S	*	.	H	α-helix	trans	-58.7	-40.4	174.4	-171	179.7	2.4	0	0	112.3	M742 F748 G749	M742-Q746 PolarHBondContact O-N 3.37Å; Q746-F748 PolarHBondContact O-N 3.46Å; Q746-G749 PolarHBondContact O-N 2.64Å
747	K	94.5	Very high	92.8	Very high	184 Å²	184	73.9 Å²	73.9	80%	0.8	39%	0.389	S	S	*	.	H	α-helix	trans	-64.9	-21.9	174.3	-76.6	-179	179	-164	0	114.1	L743 L744 Y745 G749	L743-K747 WeakPolarHBondContact O-CG 3.49Å; L743-K747 PolarHBondContact O-N 2.69Å; L744-K747 PolarHBondContact O-N 3.18Å; Y745-K747 VanDerWaalsContact C-N 3.31Å; Y745-K747 PolarHBondContact O-N 3.26Å; K747-G749 VanDerWaalsContact C-N 3.31Å
748	F	94.8	Very high	92.6	Very high	45 Å²	45	76.4 Å²	76.4	20%	0.197	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.9	170.4	-87.3	-80.4	0	0	0	113.8	T716 I719 I723 L744 Y745 Q746 F750 L779	T716-F748 HydrophobicContact CG2-CE2 3.71Å; T716-F748 HydrophobicContact CG2-CZ 3.58Å; T716-F748 VanDerWaalsContact O-CZ 3.24Å; T716-F748 WeakPolarHBondContact O-CZ 3.38Å; I719-F748 HydrophobicContact CB-CD2 4.24Å; I719-F748 HydrophobicContact CB-CE1 4.43Å; I719-F748 HydrophobicContact CB-CE2 3.89Å; I719-F748 HydrophobicContact CB-CZ 4Å; I719-F748 HydrophobicContact CD1-CD2 4.24Å; I719-F748 HydrophobicContact CD1-CE2 4.2Å; I719-F748 HydrophobicContact CG2-CB 4.4Å; I719-F748 HydrophobicContact CG2-CD1 3.77Å; I719-F748 HydrophobicContact CG2-CD2 3.61Å; I719-F748 HydrophobicContact CG2-CE1 3.88Å; I719-F748 HydrophobicContact CG2-CE2 3.72Å; I719-F748 HydrophobicContact CG2-CG 3.65Å; I719-F748 HydrophobicContact CG2-CZ 3.86Å; I723-F748 HydrophobicContact CD1-CD1 3.96Å; I723-F748 HydrophobicContact CD1-CG 4.49Å; L744-F748 HydrophobicContact CD1-CD2 4.35Å; L744-F748 HydrophobicContact CD1-CE2 4.08Å; L744-F748 WeakPolarHBondContact O-CD2 3.17Å; L744-F748 PolarHBondContact O-N 3.4Å; Y745-F748 WeakPolarHBondContact O-CA 3.3Å; Y745-F748 WeakPolarHBondContact O-CB 3.46Å; Y745-F748 PolarHBondContact O-N 3.3Å; Q746-F748 PolarHBondContact O-N 3.46Å; F748-F750 VanDerWaalsContact C-N 3.35Å; F748-F750 HydrophobicContact CB-CD2 3.69Å; F748-F750 HydrophobicContact CB-CE2 3.83Å; F748-L779 WeakPolarHBondContact O-CD1 3.49Å
749	G	95.1	Very high	92.4	Very high	38 Å²	38	73.2 Å²	73.2	39%	0.392	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	10	-178.8	0	0	0	0	0	114.7	Y745 Q746 K747 K751	Y745-G749 PolarHBondContact O-N 2.93Å; Q746-G749 PolarHBondContact O-N 2.64Å; K747-G749 VanDerWaalsContact C-N 3.31Å; G749-K751 PolarHBondContact O-N 3.21Å
750	F	96.8	Very high	92.3	Very high	11 Å²	11	71.3 Å²	71.3	5%	0.048	36%	0.362	C	S	.	.			trans	-63.8	133.3	170.7	-74.3	-95.7	0	0	0	110.1	I700 I719 I723 V731 L733 Y745 F748 L777 L779	I700-F750 HydrophobicContact CD1-CZ 4.3Å; I719-F750 HydrophobicContact CG2-CE2 4.31Å; I723-F750 HydrophobicContact CD1-CE2 3.84Å; I723-F750 HydrophobicContact CD1-CZ 4.05Å; V731-F750 HydrophobicContact CB-CE1 4.25Å; V731-F750 HydrophobicContact CB-CZ 4.27Å; V731-F750 HydrophobicContact CG1-CE1 4.04Å; V731-F750 HydrophobicContact CG1-CZ 3.9Å; V731-F750 WeakPolarHBondContact O-CE1 3.33Å; L733-F750 HydrophobicContact CD2-CD1 3.45Å; L733-F750 VanDerWaalsContact CD2-CD1 3.45Å; L733-F750 HydrophobicContact CD2-CE1 3.25Å; L733-F750 HydrophobicContact CD2-CG 4.29Å; L733-F750 HydrophobicContact CD2-CZ 3.95Å; Y745-F750 WeakPolarHBondContact O-CB 3.41Å; Y745-F750 WeakPolarHBondContact O-CD2 3.48Å; Y745-F750 PolarHBondContact O-N 2.91Å; F748-F750 VanDerWaalsContact C-N 3.35Å; F748-F750 HydrophobicContact CB-CD2 3.69Å; F748-F750 HydrophobicContact CB-CE2 3.83Å; F750-L777 HydrophobicContact CB-CB 4.27Å; F750-L777 HydrophobicContact CB-CD1 4.49Å; F750-L777 HydrophobicContact CD1-CB 4.15Å; F750-L779 HydrophobicContact CD1-CB 3.62Å; F750-L779 HydrophobicContact CD2-CB 4.13Å; F750-L779 HydrophobicContact CE1-CB 3.6Å; F750-L779 HydrophobicContact CE2-CB 4.14Å; F750-L779 HydrophobicContact CE2-CD2 4.13Å; F750-L779 HydrophobicContact CG-CB 3.89Å; F750-L779 HydrophobicContact CZ-CB 3.88Å; F750-L779 HydrophobicContact CZ-CD2 4.23Å
751	K	96.4	Very high	92.1	Very high	155 Å²	155	67.4 Å²	67.4	67%	0.674	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.1	175.6	-61.8	-175.8	-178.2	-177.3	0	109.6	G749 L777 R778	G749-K751 PolarHBondContact O-N 3.21Å; K751-L777 WeakPolarHBondContact O-CA 3.48Å; K751-R778 PolarHBondContact N-O 3.07Å; K751-R778 PolarHBondContact O-N 3.17Å
752	T	95.1	Very high	91.7	Very high	77 Å²	77	69.6 Å²	69.6	47%	0.472	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.8	169.3	-51.9	0	0	0	0	109.4	F775 L777	T752-F775 HydrophobicContact CG2-CB 4.24Å; T752-F775 HydrophobicContact CG2-CD1 3.58Å; T752-F775 HydrophobicContact CG2-CE1 4.38Å; T752-F775 HydrophobicContact CG2-CG 4.28Å; T752-L777 HydrophobicContact CG2-CD2 4.37Å; T752-L777 WeakPolarHBondContact OG1-CD2 3Å
753	E	93.2	Very high	91.4	Very high	66 Å²	66	68.3 Å²	68.3	31%	0.308	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-32.9	175.3	-67.9	-172.6	143.6	0	0	112.7	F776 R778 R780	E753-F776 HydrophobicContact CB-CD1 4.15Å; E753-F776 PolarHBondContact N-O 3.12Å; E753-R778 HydrophobicContact CG-CB 4.21Å; E753-R778 WeakPolarHBondContact OE1-CD 3.43Å; E753-R778 IonicContact OE1-NH1 3.27Å; E753-R778 PolarHBondContact OE1-NH1 3.09Å; E753-R778 VanDerWaalsContact OE1-NH1 3.07Å; E753-R778 VanDerWaalsContact OE2-CB 3.3Å; E753-R778 WeakPolarHBondContact OE2-CB 3.45Å; E753-R778 IonicContact OE2-CZ 3.57Å; E753-R778 VanDerWaalsContact OE2-CZ 3.3Å; E753-R778 IonicContact OE2-NE 3.37Å; E753-R778 IonicContact OE2-NH1 3.3Å; E753-R778 PolarHBondContact OE2-NH1 2.88Å; E753-R780 IonicContact OE1-CZ 2.69Å; E753-R780 IonicContact OE1-NE 3.07Å; E753-R780 PolarHBondContact OE1-NE 3.01Å; E753-R780 IonicContact OE1-NH2 3.21Å; E753-R780 PolarHBondContact OE1-NH2 3.45Å
754	E	93.8	Very high	91	Very high	86 Å²	86	63.8 Å²	63.8	40%	0.402	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.4	178	-166.2	178.9	173	0	0	110.8	V756 F776	E754-V756 HydrophobicContact CB-CG2 4.31Å; E754-V756 HydrophobicContact CG-CG2 3.97Å; E754-F776 HydrophobicContact CB-CB 4.06Å; E754-F776 PolarHBondContact O-N 3.32Å
755	Y	93.3	Very high	90.3	Very high	109 Å²	109	64.2 Å²	64.2	43%	0.427	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	106.6	166.4	177.7	-114.1	0	0	0	108.9	A737 L757 H773 F775	A737-Y755 HydrophobicContact CB-CE2 3.9Å; Y755-L757 HydrophobicContact CD1-CD2 4.33Å; Y755-L757 HydrophobicContact CE1-CD2 3.61Å; Y755-L757 HydrophobicContact CE1-CG 4.41Å; Y755-H773 HydrophobicContact CE2-CB 3.96Å; Y755-H773 WeakPolarHBondContact OH-CB 3.44Å; Y755-H773 PolarHBondContact OH-CD2 3.15Å; Y755-F775 AromaticContact CD2-CD1 3.61Å; Y755-F775 HydrophobicContact CD2-CD1 3.61Å; Y755-F775 AromaticContact CD2-CE1 3.38Å; Y755-F775 HydrophobicContact CD2-CE1 3.38Å; Y755-F775 HydrophobicContact CD2-CG 4.28Å; Y755-F775 AromaticContact CD2-CZ 3.88Å; Y755-F775 HydrophobicContact CD2-CZ 3.88Å; Y755-F775 HydrophobicContact CE2-CD1 4.47Å; Y755-F775 HydrophobicContact CE2-CE1 4.04Å; Y755-F775 HydrophobicContact CE2-CZ 4.05Å; Y755-F775 HydrophobicContact CG-CD1 4.37Å; Y755-F775 HydrophobicContact CG-CE1 4.11Å
756	V	90	Very high	89.2	Confident	12 Å²	12	64.5 Å²	64.5	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	106.9	-171.3	-169.1	0	0	0	0	109.4	F549 E754 F759 H773 A774 F776	F549-V756 HydrophobicContact CE1-CG1 4.37Å; F549-V756 HydrophobicContact CE1-CG2 3.97Å; F549-V756 HydrophobicContact CE2-CG1 4.09Å; F549-V756 HydrophobicContact CZ-CG1 3.93Å; F549-V756 HydrophobicContact CZ-CG2 3.84Å; E754-V756 HydrophobicContact CB-CG2 4.31Å; E754-V756 HydrophobicContact CG-CG2 3.97Å; V756-F759 HydrophobicContact CB-CB 4.24Å; V756-F759 HydrophobicContact CG1-CB 3.98Å; V756-F759 HydrophobicContact CG1-CD2 4.08Å; V756-H773 WeakPolarHBondContact O-CA 3.46Å; V756-A774 PolarHBondContact N-O 3.39Å; V756-A774 PolarHBondContact O-N 3.09Å; V756-F776 HydrophobicContact CG2-CB 4.39Å
757	L	87.6	Confident	88.4	Confident	112 Å²	112	64.7 Å²	64.7	59%	0.586	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	146.6	170.9	-66.7	175.2	0	0	0	110.7	Y755 F759	Y755-L757 HydrophobicContact CD1-CD2 4.33Å; Y755-L757 HydrophobicContact CE1-CD2 3.61Å; Y755-L757 HydrophobicContact CE1-CG 4.41Å; L757-F759 PolarHBondContact O-N 2.95Å
758	D	85.6	Confident	87.8	Confident	85 Å²	85	57.5 Å²	57.5	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	27.3	176.7	-53.1	-21.6	0	0	0	116.5	Y760 D761 K772 H773	D758-Y760 VanDerWaalsContact C-N 3.32Å; D758-Y760 PolarHBondContact O-N 2.92Å; D758-D761 HydrophobicContact CB-CB 4.14Å; D758-D761 WeakPolarHBondContact O-CB 3.42Å; D758-D761 PolarHBondContact O-N 3.36Å; D758-D761 VanDerWaalsContact O-N 3.16Å; D758-K772 CarbonylContact C-O 3.39Å; D758-H773 PolarHBondContact N-ND1 3.13Å; D758-H773 IonicContact OD1-CE1 3.6Å; D758-H773 PolarHBondContact OD1-CE1 3.43Å; D758-H773 IonicContact OD1-ND1 2.77Å; D758-H773 PolarHBondContact OD1-ND1 3.39Å
759	F	87.6	Confident	87.2	Confident	17 Å²	17	62.4 Å²	62.4	8%	0.075	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-44.2	179.2	179.5	-94.1	0	0	0	113.1	F549 L552 H734 V756 L757 Y763 K772 A774	F549-F759 HydrophobicContact CB-CE2 4.12Å; F549-F759 HydrophobicContact CD1-CD2 4.25Å; F549-F759 AromaticContact CD1-CE2 3.93Å; F549-F759 HydrophobicContact CD1-CE2 3.93Å; F549-F759 HydrophobicContact CG-CD2 4.44Å; F549-F759 HydrophobicContact CG-CE2 4.25Å; L552-F759 HydrophobicContact CD1-CE1 3.84Å; L552-F759 HydrophobicContact CD1-CZ 3.9Å; H734-F759 HydrophobicContact CB-CD1 4.25Å; H734-F759 HydrophobicContact CB-CE1 3.66Å; H734-F759 HydrophobicContact CB-CE2 4.23Å; H734-F759 HydrophobicContact CB-CZ 3.65Å; H734-F759 AromaticContact CD2-CD2 3.73Å; H734-F759 AromaticContact CD2-CE2 3.44Å; H734-F759 VanDerWaalsContact CD2-CE2 3.44Å; H734-F759 WeakPolarHBondContact CD2-CE2 3.3Å; H734-F759 AromaticContact CD2-CZ 3.79Å; H734-F759 AromaticContact CE1-CE2 3.65Å; H734-F759 AromaticContact CE1-CZ 3.99Å; H734-F759 AromaticContact CG-CE1 3.88Å; H734-F759 AromaticContact CG-CE2 3.51Å; H734-F759 AromaticContact CG-CZ 3.35Å; H734-F759 AromaticContact ND1-CE2 3.63Å; H734-F759 AromaticContact ND1-CZ 3.48Å; H734-F759 WeakPolarHBondContact ND1-CZ 3.5Å; H734-F759 AromaticContact NE2-CE2 3.54Å; V756-F759 HydrophobicContact CB-CB 4.24Å; V756-F759 HydrophobicContact CG1-CB 3.98Å; V756-F759 HydrophobicContact CG1-CD2 4.08Å; L757-F759 PolarHBondContact O-N 2.95Å; F759-Y763 WeakPolarHBondContact O-CE2 3.4Å; F759-K772 PolarHBondContact N-O 3.49Å; F759-A774 HydrophobicContact CB-CB 3.69Å; F759-A774 HydrophobicContact CD1-CB 3.81Å; F759-A774 HydrophobicContact CG-CB 3.8Å
760	Y	87.6	Confident	86.7	Confident	20 Å²	20	65.2 Å²	65.2	8%	0.078	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1	-178	-64	-77.1	0	0	0	114.2	W659 H734 S736 D758 K762 Y763 Y764 K772 A774	W659-Y760 HydrophobicContact CH2-CD1 4.33Å; W659-Y760 HydrophobicContact CH2-CE1 4.17Å; W659-Y760 AromaticContact CZ3-CD1 3.86Å; W659-Y760 HydrophobicContact CZ3-CD1 3.86Å; W659-Y760 AromaticContact CZ3-CE1 3.86Å; W659-Y760 HydrophobicContact CZ3-CE1 3.86Å; H734-Y760 PolarHBondContact O-OH 3.01Å; S736-Y760 PolarHBondContact N-OH 3.47Å; D758-Y760 VanDerWaalsContact C-N 3.32Å; D758-Y760 PolarHBondContact O-N 2.92Å; Y760-K762 VanDerWaalsContact C-N 3.25Å; Y760-K762 PolarHBondContact O-N 3.07Å; Y760-Y763 PolarHBondContact O-N 3.31Å; Y760-Y764 VanDerWaalsContact CB-CD2 3.46Å; Y760-Y764 HydrophobicContact CD2-CE2 4.42Å; Y760-Y764 HydrophobicContact CG-CD2 4.48Å; Y760-Y764 AromaticContact CG-CE2 3.88Å; Y760-Y764 HydrophobicContact CG-CE2 3.88Å; Y760-Y764 PolarHBondContact O-N 2.92Å; Y760-Y764 VanDerWaalsContact O-N 3.07Å; Y760-K772 PolarHBondContact N-O 3.27Å; Y760-A774 HydrophobicContact CD2-CB 4.31Å; Y760-A774 HydrophobicContact CE2-CB 3.7Å
761	D	84.4	Confident	86.3	Confident	26 Å²	26	66.2 Å²	66.2	14%	0.139	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.5	-176.6	-108.4	32.7	0	0	0	113	Y465 D758 Y763 K772	Y465-D761 WeakPolarHBondContact CD2-O 3.21Å; Y465-D761 HydrophobicContact CE1-CB 4.25Å; Y465-D761 WeakPolarHBondContact CE2-O 3.14Å; Y465-D761 VanDerWaalsContact OH-CG 3.31Å; Y465-D761 PolarHBondContact OH-OD2 3.28Å; D758-D761 HydrophobicContact CB-CB 4.14Å; D758-D761 WeakPolarHBondContact O-CB 3.42Å; D758-D761 PolarHBondContact O-N 3.36Å; D758-D761 VanDerWaalsContact O-N 3.16Å; D761-Y763 PolarHBondContact O-N 2.87Å; D761-K772 VanDerWaalsContact CG-NZ 3.35Å; D761-K772 WeakPolarHBondContact OD1-CB 3.35Å; D761-K772 VanDerWaalsContact OD1-CD 3.23Å; D761-K772 WeakPolarHBondContact OD1-CD 3.28Å; D761-K772 WeakPolarHBondContact OD1-CE 3.5Å; D761-K772 WeakPolarHBondContact OD1-CG 3.24Å; D761-K772 IonicContact OD1-NZ 2.65Å; D761-K772 PolarHBondContact OD1-NZ 2.87Å; D761-K772 IonicContact OD2-NZ 3.01Å
762	K	82.3	Confident	85.9	Confident	70 Å²	70	61.3 Å²	61.3	30%	0.304	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.8	-179.8	-176.6	-179.8	177.1	-176.9	0	113.5	D553 Y760	D553-K762 VanDerWaalsContact OD1-CE 3.31Å; D553-K762 WeakPolarHBondContact OD1-CE 3.45Å; D553-K762 IonicContact OD1-NZ 3.28Å; D553-K762 PolarHBondContact OD1-NZ 3.17Å; D553-K762 IonicContact OD2-NZ 2.57Å; D553-K762 PolarHBondContact OD2-NZ 2.93Å; Y760-K762 VanDerWaalsContact C-N 3.25Å; Y760-K762 PolarHBondContact O-N 3.07Å
763	Y	84.8	Confident	85.7	Confident	19 Å²	19	60.2 Å²	60.2	8%	0.075	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-40.4	-169.2	-55.1	-95.6	0	0	0	111.7	L552 D553 Q556 W659 F759 Y760 D761	L552-Y763 HydrophobicContact CB-CE1 3.7Å; D553-Y763 PolarHBondContact OD1-OH 3.18Å; Q556-Y763 HydrophobicContact CG-CD1 4.37Å; Q556-Y763 HydrophobicContact CG-CE1 4.28Å; Q556-Y763 VanDerWaalsContact NE2-CE1 3.3Å; W659-Y763 HydrophobicContact CD2-CD1 4.47Å; W659-Y763 HydrophobicContact CD2-CG 4.43Å; W659-Y763 AromaticContact CE2-CD1 3.64Å; W659-Y763 AromaticContact CZ2-CD1 3.68Å; W659-Y763 HydrophobicContact CZ2-CD1 3.68Å; W659-Y763 HydrophobicContact CZ2-CE1 4.33Å; W659-Y763 HydrophobicContact CZ2-CG 4.18Å; W659-Y763 AromaticContact NE1-CD1 3.64Å; F759-Y763 WeakPolarHBondContact O-CE2 3.4Å; Y760-Y763 PolarHBondContact O-N 3.31Å; D761-Y763 PolarHBondContact O-N 2.87Å
764	Y	84.2	Confident	85.7	Confident	22 Å²	22	57 Å²	57	9%	0.086	29%	0.288	C	S	.	.	S	Bend	trans	-75.3	151.8	178.3	-70.4	-50.2	0	0	0	113.3	F658 W659 Y760 E770	F658-Y764 WeakPolarHBondContact O-CE1 3.39Å; W659-Y764 HydrophobicContact CB-CD1 4.34Å; W659-Y764 HydrophobicContact CE3-CE1 4.39Å; Y760-Y764 VanDerWaalsContact CB-CD2 3.46Å; Y760-Y764 HydrophobicContact CD2-CE2 4.42Å; Y760-Y764 HydrophobicContact CG-CD2 4.48Å; Y760-Y764 AromaticContact CG-CE2 3.88Å; Y760-Y764 HydrophobicContact CG-CE2 3.88Å; Y760-Y764 PolarHBondContact O-N 2.92Å; Y760-Y764 VanDerWaalsContact O-N 3.07Å; Y764-E770 HydrophobicContact CE1-CB 4.13Å; Y764-E770 HydrophobicContact CE1-CG 4.47Å; Y764-E770 WeakPolarHBondContact CE1-OE2 3.35Å; Y764-E770 HydrophobicContact CE2-CB 3.98Å; Y764-E770 PolarHBondContact OH-OE2 2.87Å
765	P	79.6	Confident	85.8	Confident	49 Å²	49	55.6 Å²	55.6	32%	0.318	28%	0.28	S	S	.	.			trans	-54.1	150.4	161.1	-24	34.4	0	0	0	112.2	E767 S768	P765-E767 WeakPolarHBondContact CB-OE2 3.31Å; P765-E767 PolarHBondContact O-N 3.2Å; P765-E767 VanDerWaalsContact O-N 3.13Å; P765-S768 VanDerWaalsContact O-CB 3.3Å; P765-S768 WeakPolarHBondContact O-CB 3.21Å; P765-S768 PolarHBondContact O-N 3.31Å; P765-S768 VanDerWaalsContact O-N 3.08Å
766	L	72.4	Confident	85.9	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.099	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.4	177.2	-78.1	-174.6	0	0	0	113.4	Y465 K468 K472	Y465-L766 HydrophobicContact CD2-CD2 4.39Å; Y465-L766 HydrophobicContact CE2-CD2 3.44Å; Y465-L766 VanDerWaalsContact CE2-CD2 3.44Å; Y465-L766 HydrophobicContact CE2-CG 4.28Å; K468-L766 HydrophobicContact CB-CD1 3.47Å; K468-L766 VanDerWaalsContact CB-CD1 3.47Å; K468-L766 HydrophobicContact CB-CG 4.4Å; K468-L766 HydrophobicContact CD-CD1 4.25Å; K472-L766 HydrophobicContact CD-CD1 4.23Å; K472-L766 PolarHBondContact NZ-O 3.28Å; K472-L766 VanDerWaalsContact NZ-O 3.11Å
767	E	76.9	Confident	86.2	Confident	137 Å²	137	51.1 Å²	51.1	64%	0.64	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.6	-179.1	-53.4	72.1	-154.5	0	0	111.6	P765	P765-E767 WeakPolarHBondContact CB-OE2 3.31Å; P765-E767 PolarHBondContact O-N 3.2Å; P765-E767 VanDerWaalsContact O-N 3.13Å
768	S	81.4	Confident	86.5	Confident	33 Å²	33	47.8 Å²	47.8	23%	0.231	24%	0.242	C	C	.	.			trans	-68.6	137.4	179.7	-175	0	0	0	0	112.2	P765 E770	P765-S768 VanDerWaalsContact O-CB 3.3Å; P765-S768 WeakPolarHBondContact O-CB 3.21Å; P765-S768 PolarHBondContact O-N 3.31Å; P765-S768 VanDerWaalsContact O-N 3.08Å; S768-E770 PolarHBondContact OG-N 2.96Å
769	T	82.3	Confident	87	Confident	147 Å²	147	44.7 Å²	44.7	90%	0.902	23%	0.225	S	C	*	.			trans	-92.2	1.2	172.9	54.6	0	0	0	0	113.2
770	E	86.1	Confident	87.3	Confident	97 Å²	97	52 Å²	52	45%	0.453	25%	0.252	S	S	.	.	S	Bend	trans	-73.7	156.5	-179.4	-62.2	-157.9	165.4	0	0	113	Y764 S768 K772	Y764-E770 HydrophobicContact CE1-CB 4.13Å; Y764-E770 HydrophobicContact CE1-CG 4.47Å; Y764-E770 WeakPolarHBondContact CE1-OE2 3.35Å; Y764-E770 HydrophobicContact CE2-CB 3.98Å; Y764-E770 PolarHBondContact OH-OE2 2.87Å; S768-E770 PolarHBondContact OG-N 2.96Å; E770-K772 PolarHBondContact O-N 3.33Å
771	C	87.5	Confident	87	Confident	33 Å²	33	58.5 Å²	58.5	22%	0.223	28%	0.276	C	S	.	.			trans	-71.9	113.4	-178	-172.3	0	0	0	0	111.5	S736 S738 H773	S736-C771 PolarHBondContact OG-O 3.37Å; S738-C771 WeakPolarHBondContact OG-CB 3.32Å; C771-H773 VanDerWaalsContact C-N 3.31Å; C771-H773 PolarHBondContact O-N 3.03Å
772	K	88.1	Confident	87.1	Confident	52 Å²	52	60.2 Å²	60.2	23%	0.226	28%	0.283	C	S	.	.			trans	-72.7	-18.9	-176.8	-67.5	147.9	160	-79.2	0	114.2	D758 F759 Y760 D761 E770	D758-K772 CarbonylContact C-O 3.39Å; F759-K772 PolarHBondContact N-O 3.49Å; Y760-K772 PolarHBondContact N-O 3.27Å; D761-K772 VanDerWaalsContact CG-NZ 3.35Å; D761-K772 WeakPolarHBondContact OD1-CB 3.35Å; D761-K772 VanDerWaalsContact OD1-CD 3.23Å; D761-K772 WeakPolarHBondContact OD1-CD 3.28Å; D761-K772 WeakPolarHBondContact OD1-CE 3.5Å; D761-K772 WeakPolarHBondContact OD1-CG 3.24Å; D761-K772 IonicContact OD1-NZ 2.65Å; D761-K772 PolarHBondContact OD1-NZ 2.87Å; D761-K772 IonicContact OD2-NZ 3.01Å; E770-K772 PolarHBondContact O-N 3.33Å
773	H	90.8	Very high	87.4	Confident	53 Å²	53	59.6 Å²	59.6	25%	0.245	28%	0.282	C	S	.	.			trans	-91	151.8	-175.2	-42.9	-37.6	0	0	0	111.2	S736 A737 Y755 V756 D758 C771	S736-H773 WeakPolarHBondContact CA-O 3.33Å; A737-H773 HydrophobicContact CB-CB 4.43Å; A737-H773 PolarHBondContact N-O 3.11Å; Y755-H773 HydrophobicContact CE2-CB 3.96Å; Y755-H773 WeakPolarHBondContact OH-CB 3.44Å; Y755-H773 PolarHBondContact OH-CD2 3.15Å; V756-H773 WeakPolarHBondContact O-CA 3.46Å; D758-H773 PolarHBondContact N-ND1 3.13Å; D758-H773 IonicContact OD1-CE1 3.6Å; D758-H773 PolarHBondContact OD1-CE1 3.43Å; D758-H773 IonicContact OD1-ND1 2.77Å; D758-H773 PolarHBondContact OD1-ND1 3.39Å; C771-H773 VanDerWaalsContact C-N 3.31Å; C771-H773 PolarHBondContact O-N 3.03Å
774	A	94	Very high	87.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145	-178.9	0	0	0	0	0	112.7	H734 V735 V756 F759 Y760	H734-A774 HydrophobicContact CB-CB 4.25Å; V735-A774 CarbonylContact O-C 3.57Å; V735-A774 VanDerWaalsContact O-CA 3.25Å; V735-A774 WeakPolarHBondContact O-CA 3.31Å; V756-A774 PolarHBondContact N-O 3.39Å; V756-A774 PolarHBondContact O-N 3.09Å; F759-A774 HydrophobicContact CB-CB 3.69Å; F759-A774 HydrophobicContact CD1-CB 3.81Å; F759-A774 HydrophobicContact CG-CB 3.8Å; Y760-A774 HydrophobicContact CD2-CB 4.31Å; Y760-A774 HydrophobicContact CE2-CB 3.7Å
775	F	94.8	Very high	87.7	Confident	55 Å²	55	64.2 Å²	64.2	24%	0.241	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.7	158.6	-66.7	-70.5	0	0	0	109.3	H734 V735 A737 M742 T752 Y755 L777	H734-F775 WeakPolarHBondContact CA-O 3.47Å; V735-F775 PolarHBondContact N-O 3.25Å; V735-F775 PolarHBondContact O-N 3.29Å; A737-F775 HydrophobicContact CB-CD2 4.17Å; A737-F775 HydrophobicContact CB-CE2 3.79Å; A737-F775 HydrophobicContact CB-CZ 4.49Å; M742-F775 HydrophobicContact CE-CB 4.06Å; M742-F775 HydrophobicContact CE-CD2 3.46Å; M742-F775 VanDerWaalsContact CE-CD2 3.46Å; M742-F775 HydrophobicContact CE-CE2 4.07Å; M742-F775 HydrophobicContact CE-CG 3.83Å; M742-F775 HydrophobicContact SD-CB 4.4Å; M742-F775 HydrophobicContact SD-CD2 3.91Å; T752-F775 HydrophobicContact CG2-CB 4.24Å; T752-F775 HydrophobicContact CG2-CD1 3.58Å; T752-F775 HydrophobicContact CG2-CE1 4.38Å; T752-F775 HydrophobicContact CG2-CG 4.28Å; Y755-F775 AromaticContact CD2-CD1 3.61Å; Y755-F775 HydrophobicContact CD2-CD1 3.61Å; Y755-F775 AromaticContact CD2-CE1 3.38Å; Y755-F775 HydrophobicContact CD2-CE1 3.38Å; Y755-F775 HydrophobicContact CD2-CG 4.28Å; Y755-F775 AromaticContact CD2-CZ 3.88Å; Y755-F775 HydrophobicContact CD2-CZ 3.88Å; Y755-F775 HydrophobicContact CE2-CD1 4.47Å; Y755-F775 HydrophobicContact CE2-CE1 4.04Å; Y755-F775 HydrophobicContact CE2-CZ 4.05Å; Y755-F775 HydrophobicContact CG-CD1 4.37Å; Y755-F775 HydrophobicContact CG-CE1 4.11Å; F775-L777 HydrophobicContact CB-CD2 3.93Å; F775-L777 HydrophobicContact CB-CG 4.5Å
776	F	95.4	Very high	88.2	Confident	24 Å²	24	65.2 Å²	65.2	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.2	164.4	-179.5	-115.9	0	0	0	108.7	T732 H734 E753 E754 V756	T732-F776 HydrophobicContact CG2-CE2 4.22Å; T732-F776 HydrophobicContact CG2-CZ 3.71Å; H734-F776 AromaticContact CD2-CD2 3.89Å; H734-F776 AromaticContact CE1-CD2 3.5Å; H734-F776 AromaticContact CE1-CE2 3.95Å; H734-F776 AromaticContact NE2-CD2 3.4Å; H734-F776 WeakPolarHBondContact NE2-CD2 3.37Å; H734-F776 AromaticContact NE2-CG 3.98Å; E753-F776 HydrophobicContact CB-CD1 4.15Å; E753-F776 PolarHBondContact N-O 3.12Å; E754-F776 HydrophobicContact CB-CB 4.06Å; E754-F776 PolarHBondContact O-N 3.32Å; V756-F776 HydrophobicContact CG2-CB 4.39Å
777	L	96.1	Very high	89.3	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135	-176.4	-55.6	-172.4	0	0	0	110.2	T732 L733 V735 M742 Y745 F750 K751 T752 F775	T732-L777 CarbonylContact C-O 3.59Å; T732-L777 VanDerWaalsContact CA-O 3.27Å; T732-L777 WeakPolarHBondContact CA-O 3.39Å; L733-L777 HydrophobicContact CD2-CB 3.84Å; L733-L777 HydrophobicContact CD2-CD1 4.38Å; L733-L777 HydrophobicContact CG-CB 4.27Å; L733-L777 PolarHBondContact N-O 2.98Å; L733-L777 PolarHBondContact O-N 3.25Å; V735-L777 HydrophobicContact CB-CD1 4.38Å; V735-L777 HydrophobicContact CG2-CD1 3.67Å; V735-L777 HydrophobicContact CG2-CG 4.22Å; M742-L777 HydrophobicContact CE-CD2 4.18Å; M742-L777 HydrophobicContact SD-CD1 4.19Å; Y745-L777 HydrophobicContact CD2-CD1 3.93Å; Y745-L777 HydrophobicContact CG-CD1 3.98Å; F750-L777 HydrophobicContact CB-CB 4.27Å; F750-L777 HydrophobicContact CB-CD1 4.49Å; F750-L777 HydrophobicContact CD1-CB 4.15Å; K751-L777 WeakPolarHBondContact O-CA 3.48Å; T752-L777 HydrophobicContact CG2-CD2 4.37Å; T752-L777 WeakPolarHBondContact OG1-CD2 3Å; F775-L777 HydrophobicContact CB-CD2 3.93Å; F775-L777 HydrophobicContact CB-CG 4.5Å
778	R	95.4	Very high	90.2	Very high	42 Å²	42	63.4 Å²	63.4	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.4	170.7	-174.3	-177.5	-86.7	141.8	-15	111	E697 D730 V731 T732 K751 E753 R780	E697-R778 IonicContact OE1-CZ 2.71Å; E697-R778 IonicContact OE1-NH2 2.64Å; E697-R778 PolarHBondContact OE1-NH2 2.77Å; D730-R778 HydrophobicContact CB-CG 4.23Å; D730-R778 WeakPolarHBondContact OD2-CD 3.14Å; D730-R778 IonicContact OD2-NE 2.62Å; V731-R778 WeakPolarHBondContact O-CA 3.48Å; T732-R778 HydrophobicContact CG2-CB 4.06Å; T732-R778 HydrophobicContact CG2-CG 3.81Å; K751-R778 PolarHBondContact N-O 3.07Å; K751-R778 PolarHBondContact O-N 3.17Å; E753-R778 HydrophobicContact CG-CB 4.21Å; E753-R778 WeakPolarHBondContact OE1-CD 3.43Å; E753-R778 IonicContact OE1-NH1 3.27Å; E753-R778 PolarHBondContact OE1-NH1 3.09Å; E753-R778 VanDerWaalsContact OE1-NH1 3.07Å; E753-R778 VanDerWaalsContact OE2-CB 3.3Å; E753-R778 WeakPolarHBondContact OE2-CB 3.45Å; E753-R778 IonicContact OE2-CZ 3.57Å; E753-R778 VanDerWaalsContact OE2-CZ 3.3Å; E753-R778 IonicContact OE2-NE 3.37Å; E753-R778 IonicContact OE2-NH1 3.3Å; E753-R778 PolarHBondContact OE2-NH1 2.88Å; R778-R780 HydrophobicContact CG-CG 4.01Å
779	L	95.7	Very high	90.8	Very high	19 Å²	19	65.7 Å²	65.7	10%	0.099	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.5	160.3	172.2	63.8	0	0	0	107.1	I723 D730 V731 F748 F750 R781	I723-L779 HydrophobicContact CD1-CD2 3.7Å; I723-L779 HydrophobicContact CG1-CD2 4.24Å; I723-L779 HydrophobicContact CG2-CD2 4.16Å; D730-L779 WeakPolarHBondContact CA-O 3.23Å; V731-L779 HydrophobicContact CB-CB 4.44Å; V731-L779 PolarHBondContact N-O 3.01Å; V731-L779 PolarHBondContact O-N 2.94Å; F748-L779 WeakPolarHBondContact O-CD1 3.49Å; F750-L779 HydrophobicContact CD1-CB 3.62Å; F750-L779 HydrophobicContact CD2-CB 4.13Å; F750-L779 HydrophobicContact CE1-CB 3.6Å; F750-L779 HydrophobicContact CE2-CB 4.14Å; F750-L779 HydrophobicContact CE2-CD2 4.13Å; F750-L779 HydrophobicContact CG-CB 3.89Å; F750-L779 HydrophobicContact CZ-CB 3.88Å; F750-L779 HydrophobicContact CZ-CD2 4.23Å; L779-R781 HydrophobicContact CG-CG 4.39Å
780	R	92.4	Very high	91.5	Very high	170 Å²	170	58.9 Å²	58.9	64%	0.642	25%	0.251	S	S	*	.			trans	-87.1	143.8	178.8	-63	-176	-172.2	-176.4	1.1	111.2	D730 E753 R778	D730-R780 WeakPolarHBondContact OD1-CA 3.43Å; E753-R780 IonicContact OE1-CZ 2.69Å; E753-R780 IonicContact OE1-NE 3.07Å; E753-R780 PolarHBondContact OE1-NE 3.01Å; E753-R780 IonicContact OE1-NH2 3.21Å; E753-R780 PolarHBondContact OE1-NH2 3.45Å; R778-R780 HydrophobicContact CG-CG 4.01Å
781	R	82.1	Confident	92	Very high	158 Å²	158	55.5 Å²	55.5	60%	0.596	23%	0.233	S	C	*	.			trans	-144.4	0	-175.9	-71.6	-166.6	144.3	-148.2	-15.3	114.3	I723 D730 L779	I723-R781 VanDerWaalsContact CG2-NH1 3.26Å; I723-R781 PolarHBondContact O-NH1 3.1Å; I723-R781 VanDerWaalsContact O-NH1 3.07Å; D730-R781 PolarHBondContact OD1-N 3.49Å; L779-R781 HydrophobicContact CG-CG 4.39Å

Retrieved 781 of 781 residues in 299.2 ms (Link to these results)

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