A0A077YZU7_TRITR Loading...

Nuclear RNA export factor 1

AlphaFold DB , UniProt , Accession A0A077YZU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 610 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	30.4	Very low	256 Å²	256	186.7 Å²	186.7	100%	1.261	91%	0.91	S	S	*	*				0	32.4	0	-100.7	-172.3	-179.7	0	0	112.9
2	A	31.7	Very low	30.2	Very low	88 Å²	88	176.2 Å²	176.2	73%	0.727	89%	0.886	S	S	*	*			trans	-146.4	91.2	177.7	0	0	0	0	0	108.2
3	D	35.9	Very low	30	Very low	165 Å²	165	180.6 Å²	180.6	88%	0.882	89%	0.886	S	S	*	*			trans	-171.5	9	158.3	-100	-19.3	0	0	0	115.3
4	Y	29.7	Very low	29.9	Very low	244 Å²	244	183.4 Å²	183.4	96%	0.957	89%	0.891	S	S	*	*			trans	-104.5	46.5	-176.9	-102.5	-86.6	0	0	0	114.3
5	K	30.4	Very low	29.7	Very low	196 Å²	196	188.1 Å²	188.1	85%	0.852	90%	0.896	S	S	*	*			trans	-133	20.4	-175.7	-89	-168.1	178.6	-180	0	118
6	Q	31.2	Very low	29.8	Very low	195 Å²	195	180.8 Å²	180.8	91%	0.911	89%	0.886	S	S	*	*	S	Bend	trans	-111.1	13	178	-99.2	179.4	-2.8	0	0	117
7	F	27.5	Very low	29.9	Very low	212 Å²	212	176.9 Å²	176.9	93%	0.93	89%	0.89	S	S	*	*	S	Bend	trans	-117.2	47.5	179.7	-102.8	-81.9	0	0	0	114.1
8	T	29.2	Very low	30	Very low	126 Å²	126	170.9 Å²	170.9	77%	0.773	88%	0.88	S	S	*	*			trans	-142	24.2	175.3	47	0	0	0	0	115.9
9	K	29.2	Very low	30.2	Very low	203 Å²	203	168.1 Å²	168.1	88%	0.883	88%	0.876	S	S	*	*	S	Bend	trans	-111.4	10.8	-175.4	-104	-175.3	179.9	-178.4	0	119.1
10	N	29.1	Very low	30.3	Very low	168 Å²	168	168.6 Å²	168.6	90%	0.898	87%	0.872	S	S	*	*			trans	-118.5	29.3	175.1	-80.1	-9.8	0	0	0	114.7	G12	N10-G12 PolarHBondContact O-N 2.87Å
11	Q	27.7	Very low	30.6	Very low	201 Å²	201	165.8 Å²	165.8	94%	0.939	86%	0.858	S	S	*	*			trans	-86.5	81.9	164.7	-71	-155.2	-1.8	0	0	110
12	G	27.8	Very low	30.5	Very low	60 Å²	60	158 Å²	158	62%	0.619	83%	0.826	S	S	*	*			trans	-160.8	104.5	178.2	0	0	0	0	0	111.7	N10	N10-G12 PolarHBondContact O-N 2.87Å
13	R	27.2	Very low	30.7	Very low	234 Å²	234	156.7 Å²	156.7	88%	0.883	82%	0.816	S	S	*	*			trans	78.3	89.6	165	-54.7	175.7	172.5	-178	-2.8	116.5
14	F	28	Very low	30.7	Very low	219 Å²	219	152.3 Å²	152.3	96%	0.961	80%	0.803	S	S	*	*				-144.8	84.9	127.5	-94.6	-76.7	0	0	0	108.6
15	R	28	Very low	30.7	Very low	254 Å²	254	146.8 Å²	146.8	96%	0.958	79%	0.789	S	S	*	*			trans	-76.9	122.5	156.6	-79.2	-173.4	177.3	-172.4	-0.5	106.5
16	G	31.2	Very low	31	Very low	72 Å²	72	142.7 Å²	142.7	74%	0.742	78%	0.78	S	S	*	*			trans	176.5	71.6	176	0	0	0	0	0	110.5	G18	G16-G18 PolarHBondContact O-N 3.24Å
17	A	31.1	Very low	31.1	Very low	115 Å²	115	143.6 Å²	143.6	95%	0.95	78%	0.775	S	S	*	*			trans	-66.5	82.5	166.2	0	0	0	0	0	108.6
18	G	31.7	Very low	31.4	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	76%	0.759	S	S	*	*			trans	-91.4	106.2	170	0	0	0	0	0	108.8	G16 F20	G16-G18 PolarHBondContact O-N 3.24Å; G18-F20 PolarHBondContact O-N 3.06Å; G18-F20 VanDerWaalsContact O-N 3.16Å
19	S	33.5	Very low	31.6	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	75%	0.754	S	S	*	*			trans	-50	117.9	173	54	0	0	0	0	110.8	N21	S19-N21 PolarHBondContact O-N 3.18Å
20	F	32.2	Very low	31.8	Very low	179 Å²	179	132.6 Å²	132.6	79%	0.785	74%	0.741	S	S	*	*			trans	-67.5	107.5	178.2	-173.9	-97.8	0	0	0	109.8	G18 P22	G18-F20 PolarHBondContact O-N 3.06Å; G18-F20 VanDerWaalsContact O-N 3.16Å; F20-P22 HydrophobicContact CE1-CB 4.39Å; F20-P22 WeakPolarHBondContact O-CD 3.38Å
21	N	37.3	Very low	32.1	Very low	110 Å²	110	131.6 Å²	131.6	59%	0.588	74%	0.736	S	S	*	*			trans	-99.6	107	173.6	-173.3	-12.9	0	0	0	109.6	S19 A23 A24	S19-N21 PolarHBondContact O-N 3.18Å; N21-A23 PolarHBondContact O-N 3.16Å; N21-A23 VanDerWaalsContact OD1-CB 3.28Å; N21-A23 WeakPolarHBondContact OD1-CB 3.28Å; N21-A23 PolarHBondContact OD1-N 3.4Å; N21-A24 PolarHBondContact O-N 3.4Å
22	P	31.6	Very low	32	Very low	91 Å²	91	133.6 Å²	133.6	59%	0.591	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-63.5	-11.1	-178.6	22.2	-30	0	0	0	114.1	F20 A24	F20-P22 HydrophobicContact CE1-CB 4.39Å; F20-P22 WeakPolarHBondContact O-CD 3.38Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 3.04Å
23	A	35.4	Very low	32.1	Very low	62 Å²	62	140.9 Å²	140.9	51%	0.512	74%	0.744	S	S	.	*	G	3₁₀ helix	trans	-71.9	-17	175.3	0	0	0	0	0	114.2	N21 L25 V26	N21-A23 PolarHBondContact O-N 3.16Å; N21-A23 VanDerWaalsContact OD1-CB 3.28Å; N21-A23 WeakPolarHBondContact OD1-CB 3.28Å; N21-A23 PolarHBondContact OD1-N 3.4Å; A23-L25 VanDerWaalsContact C-N 3.26Å; A23-L25 PolarHBondContact O-N 3.35Å; A23-V26 PolarHBondContact O-N 3.19Å
24	A	35.5	Very low	32.3	Very low	73 Å²	73	136.1 Å²	136.1	60%	0.603	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-70	-21.5	-179.7	0	0	0	0	0	113.4	N21 P22 V26	N21-A24 PolarHBondContact O-N 3.4Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 3.04Å; A24-V26 VanDerWaalsContact C-N 3.29Å; A24-V26 PolarHBondContact O-N 2.9Å
25	L	30.3	Very low	32.5	Very low	128 Å²	128	135.8 Å²	135.8	67%	0.67	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-75.6	-15.9	179.3	-112.6	146.2	0	0	0	113.6	A23	A23-L25 VanDerWaalsContact C-N 3.26Å; A23-L25 PolarHBondContact O-N 3.35Å
26	V	36.1	Very low	32.5	Very low	110 Å²	110	132.9 Å²	132.9	67%	0.667	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-85.2	-18.4	179.9	-177.1	0	0	0	0	112.1	A23 A24	A23-V26 PolarHBondContact O-N 3.19Å; A24-V26 VanDerWaalsContact C-N 3.29Å; A24-V26 PolarHBondContact O-N 2.9Å
27	R	34.1	Very low	32.6	Very low	214 Å²	214	135.2 Å²	135.2	81%	0.808	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-21.5	-178.5	-72.9	-171.1	179.3	178.9	0.5	115	V29	R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 2.71Å
28	S	33	Very low	32.7	Very low	83 Å²	83	136 Å²	136	58%	0.58	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-2.7	-178.6	88.9	0	0	0	0	114.9
29	V	34.1	Very low	32.7	Very low	110 Å²	110	137.2 Å²	137.2	67%	0.667	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-14.7	179.2	-178.7	0	0	0	0	112.3	R27	R27-V29 VanDerWaalsContact C-N 3.31Å; R27-V29 PolarHBondContact O-N 2.71Å
30	N	33.3	Very low	32.6	Very low	117 Å²	117	138.1 Å²	138.1	63%	0.626	72%	0.717	S	S	*	*	S	Bend	trans	-96.4	-11.3	-176.6	-79.4	-18.4	0	0	0	115.7	W32	N30-W32 VanDerWaalsContact C-N 3.34Å; N30-W32 PolarHBondContact O-N 3.37Å
31	D	34.6	Very low	32.5	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	7.1	-175.6	-86.5	-8.6	0	0	0	115.4	R33	D31-R33 VanDerWaalsContact C-N 3.32Å
32	W	26.2	Very low	32.1	Very low	243 Å²	243	132.9 Å²	132.9	92%	0.92	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	20.1	172	-82.7	86.8	0	0	0	114	N30	N30-W32 VanDerWaalsContact C-N 3.34Å; N30-W32 PolarHBondContact O-N 3.37Å
33	R	30.2	Very low	31.9	Very low	214 Å²	214	141 Å²	141	81%	0.808	74%	0.74	S	S	*	*	S	Bend	trans	-99.1	117	170.2	-74.6	-172.5	176.6	-169.5	0.4	111.1	D31	D31-R33 VanDerWaalsContact C-N 3.32Å
34	E	31.6	Very low	31.8	Very low	133 Å²	133	142.5 Å²	142.5	62%	0.621	75%	0.753	S	S	*	*			trans	69.6	75.5	152.7	-58	-167.1	136.6	0	0	118.6	R36	E34-R36 HydrophobicContact CB-CG 4.39Å; E34-R36 IonicContact OE1-CZ 2.68Å; E34-R36 VanDerWaalsContact OE1-CZ 3.28Å; E34-R36 IonicContact OE1-NE 3.51Å; E34-R36 PolarHBondContact OE1-NE 3.42Å; E34-R36 IonicContact OE1-NH2 2.57Å; E34-R36 PolarHBondContact OE1-NH2 3.14Å; E34-R36 IonicContact OE2-NE 3.94Å; E34-R36 IonicContact OE2-NH2 2.68Å
35	K	31.6	Very low	31.6	Very low	213 Å²	213	146.2 Å²	146.2	93%	0.926	76%	0.763	S	S	*	*			trans	-93	82.4	137.8	-75.3	-171	179.1	-179.9	0	108.7	P37	K35-P37 VanDerWaalsContact O-CD 3.31Å; K35-P37 WeakPolarHBondContact O-CD 3.45Å
36	R	28.8	Very low	31.7	Very low	192 Å²	192	152.2 Å²	152.2	73%	0.725	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.1	119.3	167.3	-69.8	-179.3	-178.1	-169.7	2.3	108.2	E34 V38	E34-R36 HydrophobicContact CB-CG 4.39Å; E34-R36 IonicContact OE1-CZ 2.68Å; E34-R36 VanDerWaalsContact OE1-CZ 3.28Å; E34-R36 IonicContact OE1-NE 3.51Å; E34-R36 PolarHBondContact OE1-NE 3.42Å; E34-R36 IonicContact OE1-NH2 2.57Å; E34-R36 PolarHBondContact OE1-NH2 3.14Å; E34-R36 IonicContact OE2-NE 3.94Å; E34-R36 IonicContact OE2-NH2 2.68Å; R36-V38 PolarHBondContact O-N 2.96Å
37	P	33.4	Very low	31.6	Very low	121 Å²	121	155.9 Å²	155.9	79%	0.786	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.3	129.2	164.6	-13.6	28.8	0	0	0	108.1	K35 A39	K35-P37 VanDerWaalsContact O-CD 3.31Å; K35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-A39 PolarHBondContact O-N 3.48Å
38	V	32	Very low	31.5	Very low	133 Å²	133	148.8 Å²	148.8	81%	0.806	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-49.3	125.9	173.7	173.3	0	0	0	0	109.3	R36 V40	R36-V38 PolarHBondContact O-N 2.96Å; V38-V40 PolarHBondContact O-N 3.13Å
39	A	31.4	Very low	31.5	Very low	93 Å²	93	154.3 Å²	154.3	77%	0.769	79%	0.794	S	S	*	*			trans	-60.8	102.3	178.5	0	0	0	0	0	110.2	P37 S41	P37-A39 PolarHBondContact O-N 3.48Å; A39-S41 PolarHBondContact O-N 3.39Å
40	V	32.4	Very low	31.4	Very low	135 Å²	135	155.9 Å²	155.9	82%	0.818	80%	0.798	S	S	*	*			trans	-78.2	109.4	161.7	178.2	0	0	0	0	106.8	V38 G42	V38-V40 PolarHBondContact O-N 3.13Å; V40-G42 VanDerWaalsContact C-N 3.28Å; V40-G42 PolarHBondContact O-N 3.31Å
41	S	29	Very low	31.4	Very low	116 Å²	116	156.3 Å²	156.3	81%	0.811	80%	0.801	S	S	*	*			trans	-62.9	79.2	177.9	56.4	0	0	0	0	111.7	A39	A39-S41 PolarHBondContact O-N 3.39Å
42	G	29.8	Very low	31.1	Very low	64 Å²	64	160 Å²	160	66%	0.66	80%	0.804	S	S	*	*			trans	-84.9	106.1	167.4	0	0	0	0	0	110	V40 A44	V40-G42 VanDerWaalsContact C-N 3.28Å; V40-G42 PolarHBondContact O-N 3.31Å; G42-A44 VanDerWaalsContact C-N 3.29Å; G42-A44 PolarHBondContact O-N 2.83Å
43	R	28.1	Very low	31.3	Very low	260 Å²	260	158.7 Å²	158.7	98%	0.981	80%	0.798	S	S	*	*			trans	-56.4	85.3	170.7	-82.5	174.9	166	166.3	-4.8	110.7
44	A	32.7	Very low	31.3	Very low	94 Å²	94	156.2 Å²	156.2	78%	0.777	80%	0.796	S	S	*	*			trans	-89.6	108.1	169.3	0	0	0	0	0	109.1	G42 R46	G42-A44 VanDerWaalsContact C-N 3.29Å; G42-A44 PolarHBondContact O-N 2.83Å; A44-R46 PolarHBondContact O-N 3.02Å
45	N	31.2	Very low	31.3	Very low	151 Å²	151	153.9 Å²	153.9	81%	0.807	79%	0.794	S	S	*	*			trans	-44.8	121.6	174.6	-109.5	-25.6	0	0	0	112	K47	N45-K47 PolarHBondContact O-N 2.97Å
46	R	31.3	Very low	31.4	Very low	254 Å²	254	149 Å²	149	96%	0.958	78%	0.782	S	S	*	*			trans	-61.3	96	163.4	-75.6	176.7	173.2	171.1	-2.9	108.8	A44	A44-R46 PolarHBondContact O-N 3.02Å
47	K	34.5	Very low	31.5	Very low	187 Å²	187	149 Å²	149	81%	0.813	78%	0.784	S	S	*	*			trans	-117.3	128.2	158.9	-83.7	-172.5	174.5	-179.2	0	108.1	N45	N45-K47 PolarHBondContact O-N 2.97Å
48	G	32.4	Very low	31.3	Very low	65 Å²	65	155 Å²	155	67%	0.67	79%	0.79	S	S	*	*			trans	-49.6	143.5	-158.9	0	0	0	0	0	116	N50	G48-N50 PolarHBondContact O-N 3Å
49	Q	33.5	Very low	31.6	Very low	200 Å²	200	152.4 Å²	152.4	94%	0.935	78%	0.778	S	S	*	*			trans	-48.5	103.6	153.2	-84.3	174	-40.5	0	0	108.4	D51	Q49-D51 VanDerWaalsContact C-N 3.35Å; Q49-D51 PolarHBondContact O-N 2.82Å
50	N	32	Very low	31.7	Very low	142 Å²	142	156.8 Å²	156.8	76%	0.759	78%	0.775	S	S	*	*			trans	-72.4	97.4	165.7	-81.1	-23.6	0	0	0	107.2	G48 W52	G48-N50 PolarHBondContact O-N 3Å; N50-W52 PolarHBondContact O-N 3.36Å; N50-W52 VanDerWaalsContact O-N 3.1Å
51	D	32.1	Very low	31.7	Very low	127 Å²	127	159.2 Å²	159.2	68%	0.679	78%	0.777	S	S	*	*			trans	-58.2	110.2	167.7	-119.1	-25.8	0	0	0	108.5	Q49 R53 H54	Q49-D51 VanDerWaalsContact C-N 3.35Å; Q49-D51 PolarHBondContact O-N 2.82Å; D51-R53 PolarHBondContact O-N 3.03Å; D51-H54 PolarHBondContact O-N 2.94Å
52	W	29.4	Very low	32	Very low	224 Å²	224	157.9 Å²	157.9	85%	0.848	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-63.1	-3.3	-171.2	-79	76	0	0	0	114.4	N50 H54	N50-W52 PolarHBondContact O-N 3.36Å; N50-W52 VanDerWaalsContact O-N 3.1Å; W52-H54 PolarHBondContact O-N 2.97Å
53	R	30.6	Very low	32.5	Very low	214 Å²	214	156.2 Å²	156.2	81%	0.808	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-64.1	-18.9	175.7	-70.8	-176	170.4	-172.4	-2	113.6	D51 T56	D51-R53 PolarHBondContact O-N 3.03Å; R53-T56 PolarHBondContact O-OG1 2.58Å
54	H	29.8	Very low	32.9	Very low	163 Å²	163	152.2 Å²	152.2	76%	0.755	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-101.9	-0.7	-177.3	-70.4	-63.9	0	0	0	116.1	D51 W52 T56	D51-H54 PolarHBondContact O-N 2.94Å; W52-H54 PolarHBondContact O-N 2.97Å; H54-T56 PolarHBondContact O-N 3.14Å
55	S	31.9	Very low	33.4	Very low	83 Å²	83	157.4 Å²	157.4	58%	0.58	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-7.3	178.4	-173.7	0	0	0	0	114.1
56	T	33.3	Very low	34.2	Very low	110 Å²	110	156.9 Å²	156.9	68%	0.675	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-15.3	-174.9	36.2	0	0	0	0	114.7	R53 H54	R53-T56 PolarHBondContact O-OG1 2.58Å; H54-T56 PolarHBondContact O-N 3.14Å
57	Y	30.2	Very low	35.4	Very low	194 Å²	194	147.2 Å²	147.2	76%	0.761	72%	0.72	S	S	*	*	S	Bend	trans	-80.9	-33.1	-173.8	-157	-97.4	0	0	0	113.8	S59	Y57-S59 PolarHBondContact O-N 3.3Å
58	R	29.3	Very low	37.1	Very low	246 Å²	246	139.8 Å²	139.8	93%	0.928	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-6.6	-174.9	-76	-172.7	176.3	-175.4	-1.1	115.7
59	S	38	Very low	39.6	Very low	79 Å²	79	136.9 Å²	136.9	55%	0.552	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-4.7	-177.4	-179	0	0	0	0	114.7	Y57	Y57-S59 PolarHBondContact O-N 3.3Å
60	R	34.2	Very low	42.3	Very low	185 Å²	185	127.4 Å²	127.4	70%	0.698	62%	0.615	S	S	*	*	S	Bend	trans	-76.4	-26.8	-169.5	-90	-176.1	174	179.7	-2	115.5
61	Q	33	Very low	45.1	Very low	185 Å²	185	123 Å²	123	86%	0.864	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-12.9	-170.1	-82.8	177.6	-19.4	0	0	115.8
62	A	35.1	Very low	48	Very low	89 Å²	89	117 Å²	117	74%	0.736	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	7.8	-169.7	0	0	0	0	0	115.9
63	V	38.7	Very low	51	Low	28 Å²	28	107.9 Å²	107.9	17%	0.17	53%	0.526	C	S	.	.			trans	-118.8	5.9	-167.5	-166.5	0	0	0	0	114.1	K65	V63-K65 VanDerWaalsContact C-N 3.32Å; V63-K65 PolarHBondContact O-N 2.82Å; V63-K65 VanDerWaalsContact O-N 3.16Å
64	E	38.2	Very low	53.9	Low	177 Å²	177	97.7 Å²	97.7	83%	0.827	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.4	-169.3	-76.1	-173.6	160.8	0	0	117
65	K	42.8	Very low	56.8	Low	202 Å²	202	95.3 Å²	95.3	88%	0.878	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-13	-178.2	-83.2	-170.5	175.2	-177.2	0	116.5	V63	V63-K65 VanDerWaalsContact C-N 3.32Å; V63-K65 PolarHBondContact O-N 2.82Å; V63-K65 VanDerWaalsContact O-N 3.16Å
66	H	47.6	Very low	59.3	Low	140 Å²	140	94.4 Å²	94.4	65%	0.648	47%	0.467	S	S	*	.	S	Bend	trans	-117.7	129	174.9	-61.6	-72.8	0	0	0	107.6	T68	H66-T68 PolarHBondContact O-N 3.05Å; H66-T68 VanDerWaalsContact O-N 3.12Å
67	G	55.6	Low	61.6	Low	51 Å²	51	89.3 Å²	89.3	53%	0.526	44%	0.436	S	S	.	.			trans	-38.8	124	177.4	0	0	0	0	0	110.6	W69	G67-W69 PolarHBondContact O-N 2.81Å
68	T	71.5	Confident	63.9	Low	32 Å²	32	83.1 Å²	83.1	20%	0.196	42%	0.421	C	S	.	.			trans	-70.1	100.5	-160.9	57.1	0	0	0	0	110.4	H66 S70 K118	H66-T68 PolarHBondContact O-N 3.05Å; H66-T68 VanDerWaalsContact O-N 3.12Å; T68-S70 PolarHBondContact O-OG 3.08Å; T68-K118 WeakPolarHBondContact OG1-CB 3.38Å; T68-K118 VanDerWaalsContact OG1-CD 3.24Å; T68-K118 WeakPolarHBondContact OG1-CD 3.29Å; T68-K118 WeakPolarHBondContact OG1-CG 3.37Å
69	W	83.9	Confident	65.9	Low	4 Å²	4	74.7 Å²	74.7	2%	0.015	40%	0.404	C	S	.	.			trans	-56.4	138.5	173.9	-78.4	76.7	0	0	0	110.6	G67 L101 Y114 L115 K116 S146 P148 L152 I203	G67-W69 PolarHBondContact O-N 2.81Å; W69-L101 HydrophobicContact CH2-CD1 3.51Å; W69-L101 HydrophobicContact CZ3-CD1 3.78Å; W69-Y114 HydrophobicContact CE3-CD1 4.39Å; W69-L115 CarbonylContact C-O 3.59Å; W69-L115 WeakPolarHBondContact CA-O 3.08Å; W69-K116 HydrophobicContact CD2-CB 4.49Å; W69-K116 HydrophobicContact CH2-CB 4.1Å; W69-K116 HydrophobicContact CZ2-CB 3.92Å; W69-K116 HydrophobicContact CZ2-CD 4.04Å; W69-K116 HydrophobicContact CZ2-CG 3.85Å; W69-S146 CarbonylContact C-O 3.12Å; W69-S146 WeakPolarHBondContact CB-O 3.12Å; W69-S146 PolarHBondContact O-N 2.86Å; W69-S146 PolarHBondContact O-OG 2.86Å; W69-P148 HydrophobicContact CD2-CB 3.98Å; W69-P148 HydrophobicContact CG-CB 4.24Å; W69-P148 HydrophobicContact CZ2-CB 4.4Å; W69-L152 HydrophobicContact CZ2-CD1 4.05Å; W69-L152 HydrophobicContact CZ2-CD2 4.15Å; W69-I203 HydrophobicContact CH2-CD1 3.57Å; W69-I203 HydrophobicContact CZ2-CD1 4.27Å; W69-I203 HydrophobicContact CZ3-CD1 4.32Å
70	S	90.7	Very high	67.5	Low	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.2	178.5	-59.8	0	0	0	0	109.6	T68 Y114 L115 A121 K143 R144	T68-S70 PolarHBondContact O-OG 3.08Å; S70-Y114 CarbonylContact O-C 3.5Å; S70-Y114 WeakPolarHBondContact O-CA 3.34Å; S70-L115 PolarHBondContact N-O 3.27Å; S70-L115 PolarHBondContact O-N 3.23Å; S70-A121 VanDerWaalsContact CB-CB 3.45Å; S70-A121 WeakPolarHBondContact OG-CB 3.34Å; S70-K143 WeakPolarHBondContact OG-CE 3.49Å; S70-R144 CarbonylContact C-O 3.57Å; S70-R144 WeakPolarHBondContact CA-O 2.6Å
71	F	91.1	Very high	69.6	Low	50 Å²	50	69.6 Å²	69.6	22%	0.219	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.4	170.5	-177.1	-105.5	0	0	0	108.6	S112 Y114 R144 S146	F71-S112 VanDerWaalsContact CZ-CB 3.48Å; F71-Y114 HydrophobicContact CB-CD1 4.15Å; F71-Y114 HydrophobicContact CB-CE1 3.97Å; F71-Y114 AromaticContact CD2-CD1 3.84Å; F71-Y114 HydrophobicContact CD2-CD1 3.84Å; F71-Y114 AromaticContact CD2-CD2 3.95Å; F71-Y114 HydrophobicContact CD2-CD2 3.95Å; F71-Y114 AromaticContact CD2-CE1 3.48Å; F71-Y114 HydrophobicContact CD2-CE1 3.48Å; F71-Y114 VanDerWaalsContact CD2-CE1 3.48Å; F71-Y114 AromaticContact CD2-CE2 3.6Å; F71-Y114 HydrophobicContact CD2-CE2 3.6Å; F71-Y114 HydrophobicContact CD2-CG 4.06Å; F71-Y114 AromaticContact CD2-CZ 3.35Å; F71-Y114 HydrophobicContact CE2-CD2 4.28Å; F71-Y114 HydrophobicContact CE2-CE1 4.36Å; F71-Y114 AromaticContact CE2-CE2 3.72Å; F71-Y114 HydrophobicContact CE2-CE2 3.72Å; F71-Y114 AromaticContact CE2-CZ 3.77Å; F71-Y114 HydrophobicContact CG-CD1 4.5Å; F71-Y114 HydrophobicContact CG-CE1 4.12Å; F71-R144 PolarHBondContact N-O 2.84Å; F71-R144 PolarHBondContact O-N 2.88Å; F71-S146 PolarHBondContact N-OG 3.08Å
72	L	92.8	Very high	71.9	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.4	-179.5	-84.3	72.4	0	0	0	110.4	S112 F113 L115 A121 L124 I141 W142	L72-S112 VanDerWaalsContact O-CA 3.24Å; L72-S112 WeakPolarHBondContact O-CA 3.35Å; L72-S112 WeakPolarHBondContact O-CB 3.44Å; L72-F113 HydrophobicContact CB-CD2 4.45Å; L72-F113 HydrophobicContact CB-CE1 4.29Å; L72-F113 HydrophobicContact CB-CE2 4.04Å; L72-F113 HydrophobicContact CB-CZ 3.96Å; L72-F113 HydrophobicContact CD2-CE2 4.02Å; L72-F113 HydrophobicContact CD2-CZ 3.91Å; L72-F113 PolarHBondContact N-O 3.11Å; L72-F113 PolarHBondContact O-N 2.74Å; L72-L115 HydrophobicContact CD1-CB 4.45Å; L72-L115 HydrophobicContact CD1-CD1 3.89Å; L72-L115 HydrophobicContact CD1-CG 4.21Å; L72-L115 HydrophobicContact CD2-CD1 3.84Å; L72-A121 HydrophobicContact CD1-CB 3.92Å; L72-L124 HydrophobicContact CD2-CB 4.03Å; L72-L124 HydrophobicContact CD2-CD1 3.81Å; L72-I141 HydrophobicContact CD2-CG2 4.1Å; L72-W142 WeakPolarHBondContact CA-O 3.22Å
73	T	92.6	Very high	74	Confident	34 Å²	34	62 Å²	62	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.3	173.2	-56.4	0	0	0	0	108.7	V110 M111 I141 W142	T73-V110 HydrophobicContact CG2-CG1 3.29Å; T73-M111 CarbonylContact C-O 3.43Å; T73-M111 WeakPolarHBondContact CA-O 3.4Å; T73-I141 WeakPolarHBondContact O-CA 3.35Å; T73-W142 PolarHBondContact N-O 3.4Å; T73-W142 PolarHBondContact O-N 3.27Å
74	V	92.1	Very high	76.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	-173.8	-171.3	0	0	0	0	109.3	V77 V85 M89 V110 M111 F113 L139 S140 I141	V74-V77 HydrophobicContact CB-CG2 4.08Å; V74-V77 HydrophobicContact CG1-CG2 3.65Å; V74-V85 HydrophobicContact CG1-CG1 4.11Å; V74-M89 HydrophobicContact CB-CE 4.2Å; V74-M89 HydrophobicContact CG1-CE 3.55Å; V74-M89 HydrophobicContact CG2-CE 3.56Å; V74-M89 HydrophobicContact CG2-SD 4.39Å; V74-V110 WeakPolarHBondContact O-CA 3.33Å; V74-M111 HydrophobicContact CB-CB 4.41Å; V74-M111 HydrophobicContact CB-CE 4.24Å; V74-M111 HydrophobicContact CG2-CE 4.21Å; V74-M111 PolarHBondContact N-O 3.49Å; V74-M111 PolarHBondContact O-N 3.21Å; V74-F113 HydrophobicContact CG2-CE1 3.83Å; V74-F113 HydrophobicContact CG2-CZ 4.45Å; V74-L139 HydrophobicContact CG1-CB 4.4Å; V74-L139 HydrophobicContact CG1-CD1 4.31Å; V74-L139 HydrophobicContact CG1-CD2 4.17Å; V74-S140 WeakPolarHBondContact CA-O 3.34Å; V74-I141 HydrophobicContact CG1-CG1 4.34Å
75	K	89.1	Confident	78.4	Confident	112 Å²	112	56.2 Å²	56.2	49%	0.487	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	148	177	65.3	179.7	-178.5	176.1	0	112.3	V110 S140	K75-V110 HydrophobicContact CB-CG2 4.17Å; K75-S140 PolarHBondContact N-O 3.09Å; K75-S140 PolarHBondContact O-N 2.85Å
76	P	85.7	Confident	80.5	Confident	65 Å²	65	47.3 Å²	47.3	42%	0.422	27%	0.268	S	S	.	.	S	Bend	cis	-82.5	138.3	-5.3	32.7	-33.2	0	0	0	112	G109 L139	P76-G109 CarbonylContact C-O 3.56Å; P76-G109 WeakPolarHBondContact CA-O 3.23Å; P76-L139 VanDerWaalsContact O-CD2 3.32Å; P76-L139 WeakPolarHBondContact O-CD2 3.35Å
77	V	82.2	Confident	82.3	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.018	26%	0.258	C	S	.	.			trans	-138.5	126.5	175.3	-175.5	0	0	0	0	109.7	V74 A82 V85 G109 M111 L139	V74-V77 HydrophobicContact CB-CG2 4.08Å; V74-V77 HydrophobicContact CG1-CG2 3.65Å; V77-A82 HydrophobicContact CG1-CB 3.99Å; V77-V85 HydrophobicContact CG1-CG2 4.36Å; V77-V85 HydrophobicContact CG2-CG1 4.21Å; V77-V85 HydrophobicContact CG2-CG2 4.27Å; V77-G109 PolarHBondContact N-O 3.1Å; V77-G109 CarbonylContact O-C 3.57Å; V77-G109 WeakPolarHBondContact O-CA 3.4Å; V77-M111 HydrophobicContact CB-CB 3.85Å; V77-M111 HydrophobicContact CG1-CB 3.88Å; V77-M111 HydrophobicContact CG1-SD 4.17Å; V77-M111 HydrophobicContact CG2-CB 4Å; V77-M111 HydrophobicContact CG2-CE 4.48Å; V77-L139 HydrophobicContact CG2-CD2 4.29Å
78	S	77.4	Confident	83.7	Confident	64 Å²	64	44.4 Å²	44.4	45%	0.448	25%	0.245	S	C	.	.			trans	-98.6	164.3	167	70	0	0	0	0	111.3	N80 S81 A82	S78-N80 PolarHBondContact O-N 3.44Å; S78-S81 PolarHBondContact N-OG 3.21Å; S78-S81 PolarHBondContact O-N 3.39Å; S78-S81 PolarHBondContact O-OG 3.06Å; S78-S81 PolarHBondContact OG-N 3.25Å; S78-S81 PolarHBondContact OG-OG 3.14Å; S78-A82 PolarHBondContact O-N 2.82Å
79	A	71.7	Confident	84.5	Confident	69 Å²	69	42.9 Å²	42.9	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-50.1	-46.1	175.1	0	0	0	0	0	112.1	S81 A82	A79-S81 VanDerWaalsContact C-N 3.33Å; A79-S81 PolarHBondContact O-N 3.39Å; A79-A82 WeakPolarHBondContact O-CB 3.41Å; A79-A82 PolarHBondContact O-N 3.46Å
80	N	71.1	Confident	84.6	Confident	136 Å²	136	47.2 Å²	47.2	73%	0.727	25%	0.254	S	S	*	.	H	α-helix	trans	-69.1	-28.9	-179	-60	-5.6	0	0	0	113.3	S78	S78-N80 PolarHBondContact O-N 3.44Å
81	S	77.7	Confident	84.3	Confident	21 Å²	21	53.1 Å²	53.1	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-86.9	-16.8	178	65.8	0	0	0	0	113.6	S78 A79 K83 Q84 V85	S78-S81 PolarHBondContact N-OG 3.21Å; S78-S81 PolarHBondContact O-N 3.39Å; S78-S81 PolarHBondContact O-OG 3.06Å; S78-S81 PolarHBondContact OG-N 3.25Å; S78-S81 PolarHBondContact OG-OG 3.14Å; A79-S81 VanDerWaalsContact C-N 3.33Å; A79-S81 PolarHBondContact O-N 3.39Å; S81-K83 PolarHBondContact O-N 3.13Å; S81-Q84 PolarHBondContact O-N 2.96Å; S81-Q84 VanDerWaalsContact O-N 3.08Å; S81-V85 WeakPolarHBondContact O-CG2 3.22Å; S81-V85 PolarHBondContact O-N 2.83Å
82	A	82.6	Confident	84	Confident	5 Å²	5	53.9 Å²	53.9	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-44.4	-169.2	0	0	0	0	0	112.7	V77 S78 A79 Q84 V85 L86 I105 M111	V77-A82 HydrophobicContact CG1-CB 3.99Å; S78-A82 PolarHBondContact O-N 2.82Å; A79-A82 WeakPolarHBondContact O-CB 3.41Å; A79-A82 PolarHBondContact O-N 3.46Å; A82-Q84 VanDerWaalsContact C-N 3.32Å; A82-Q84 PolarHBondContact O-N 3.37Å; A82-V85 PolarHBondContact O-N 2.82Å; A82-L86 WeakPolarHBondContact O-CB 3.41Å; A82-L86 VanDerWaalsContact O-CG 3.29Å; A82-L86 WeakPolarHBondContact O-CG 3.3Å; A82-L86 PolarHBondContact O-N 3.44Å; A82-I105 HydrophobicContact CB-CD1 3.36Å; A82-I105 HydrophobicContact CB-CG1 4.17Å; A82-M111 HydrophobicContact CB-SD 4.08Å
83	K	79.8	Confident	83.8	Confident	110 Å²	110	54.3 Å²	54.3	48%	0.478	29%	0.29	S	S	.	.	H	α-helix	trans	-57.4	-44.6	176.1	-170.6	174	-175.6	173.4	0	111.9	S81 Q87 S262	S81-K83 PolarHBondContact O-N 3.13Å; K83-Q87 WeakPolarHBondContact O-CB 3.46Å; K83-Q87 PolarHBondContact O-N 3.16Å; K83-S262 PolarHBondContact NZ-O 2.84Å
84	Q	81.9	Confident	83.4	Confident	80 Å²	80	55.1 Å²	55.1	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-68.6	-42.4	178.8	-66.9	170.5	20.9	0	0	111.7	S81 A82 L86 Q87 S88	S81-Q84 PolarHBondContact O-N 2.96Å; S81-Q84 VanDerWaalsContact O-N 3.08Å; A82-Q84 VanDerWaalsContact C-N 3.32Å; A82-Q84 PolarHBondContact O-N 3.37Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.16Å; Q84-Q87 PolarHBondContact O-N 3.47Å; Q84-S88 PolarHBondContact O-N 3.24Å; Q84-S88 PolarHBondContact O-OG 2.86Å
85	V	86.9	Confident	83	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-44.8	177.6	171	0	0	0	0	110.9	V74 V77 S81 A82 Q87 S88 M89 M111 T133 L139	V74-V85 HydrophobicContact CG1-CG1 4.11Å; V77-V85 HydrophobicContact CG1-CG2 4.36Å; V77-V85 HydrophobicContact CG2-CG1 4.21Å; V77-V85 HydrophobicContact CG2-CG2 4.27Å; S81-V85 WeakPolarHBondContact O-CG2 3.22Å; S81-V85 PolarHBondContact O-N 2.83Å; A82-V85 PolarHBondContact O-N 2.82Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 3.38Å; V85-S88 PolarHBondContact O-N 2.91Å; V85-M89 HydrophobicContact CG1-CE 3.87Å; V85-M89 HydrophobicContact CG1-SD 4.39Å; V85-M89 VanDerWaalsContact O-CG 3.28Å; V85-M89 WeakPolarHBondContact O-CG 3.4Å; V85-M89 PolarHBondContact O-N 3.15Å; V85-M111 HydrophobicContact CB-CE 4.4Å; V85-M111 HydrophobicContact CG1-CE 3.73Å; V85-T133 HydrophobicContact CG2-CG2 4.13Å; V85-L139 HydrophobicContact CG1-CD1 3.77Å; V85-L139 HydrophobicContact CG2-CD1 4.22Å
86	L	87.6	Confident	82.8	Confident	15 Å²	15	60.1 Å²	60.1	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-37.5	176.9	-68.5	167.9	0	0	0	111.9	A82 Q84 M89 K90 F98 P100 I103 M111 F113 F237	A82-L86 WeakPolarHBondContact O-CB 3.41Å; A82-L86 VanDerWaalsContact O-CG 3.29Å; A82-L86 WeakPolarHBondContact O-CG 3.3Å; A82-L86 PolarHBondContact O-N 3.44Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.16Å; L86-M89 PolarHBondContact O-N 2.62Å; L86-K90 PolarHBondContact O-N 3.42Å; L86-F98 HydrophobicContact CD2-CE1 4.41Å; L86-F98 HydrophobicContact CD2-CZ 4.07Å; L86-P100 HydrophobicContact CD2-CB 4.32Å; L86-P100 HydrophobicContact CD2-CG 4.15Å; L86-I103 HydrophobicContact CD1-CD1 3.66Å; L86-I103 HydrophobicContact CD2-CD1 4.41Å; L86-M111 HydrophobicContact CD1-SD 4.25Å; L86-M111 HydrophobicContact CD2-CE 3.71Å; L86-M111 HydrophobicContact CD2-SD 4.1Å; L86-M111 HydrophobicContact CG-CE 3.99Å; L86-M111 HydrophobicContact CG-SD 4.07Å; L86-F113 HydrophobicContact CD2-CE1 4.35Å; L86-F237 HydrophobicContact CB-CZ 4.14Å; L86-F237 HydrophobicContact CD1-CZ 4.09Å
87	Q	84.8	Confident	82.5	Confident	93 Å²	93	60.9 Å²	60.9	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-47.1	175.3	-177.9	56.2	37.4	0	0	111.9	K83 Q84 V85 M89 K90 E91	K83-Q87 WeakPolarHBondContact O-CB 3.46Å; K83-Q87 PolarHBondContact O-N 3.16Å; Q84-Q87 PolarHBondContact O-N 3.47Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 3.38Å; Q87-M89 VanDerWaalsContact C-N 3.27Å; Q87-M89 PolarHBondContact O-N 3.12Å; Q87-K90 WeakPolarHBondContact O-CB 3.44Å; Q87-K90 PolarHBondContact O-N 2.86Å; Q87-K90 VanDerWaalsContact O-N 3.1Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.35Å; Q87-E91 PolarHBondContact NE2-OE1 3.42Å; Q87-E91 WeakPolarHBondContact O-CG 3.48Å; Q87-E91 PolarHBondContact O-N 2.91Å
88	S	84.3	Confident	82.7	Confident	37 Å²	37	61.6 Å²	61.6	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-34.7	175.1	-59.5	0	0	0	0	112.4	Q84 V85 E91 L92	Q84-S88 PolarHBondContact O-N 3.24Å; Q84-S88 PolarHBondContact O-OG 2.86Å; V85-S88 PolarHBondContact O-N 2.91Å; S88-E91 PolarHBondContact O-N 2.79Å; S88-L92 WeakPolarHBondContact O-CB 3.21Å; S88-L92 VanDerWaalsContact O-CG 3.26Å; S88-L92 WeakPolarHBondContact O-CG 3.45Å; S88-L92 PolarHBondContact O-N 2.81Å
89	M	88.3	Confident	83	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.5	-40.7	173	-74.3	-175.3	176.9	0	0	112.5	V74 V85 L86 Q87 E91 L92 L93 F98 F113 L124 I141	V74-M89 HydrophobicContact CB-CE 4.2Å; V74-M89 HydrophobicContact CG1-CE 3.55Å; V74-M89 HydrophobicContact CG2-CE 3.56Å; V74-M89 HydrophobicContact CG2-SD 4.39Å; V85-M89 HydrophobicContact CG1-CE 3.87Å; V85-M89 HydrophobicContact CG1-SD 4.39Å; V85-M89 VanDerWaalsContact O-CG 3.28Å; V85-M89 WeakPolarHBondContact O-CG 3.4Å; V85-M89 PolarHBondContact O-N 3.15Å; L86-M89 PolarHBondContact O-N 2.62Å; Q87-M89 VanDerWaalsContact C-N 3.27Å; Q87-M89 PolarHBondContact O-N 3.12Å; M89-E91 VanDerWaalsContact C-N 3.34Å; M89-L92 PolarHBondContact O-N 2.79Å; M89-L93 WeakPolarHBondContact O-CG 3.22Å; M89-L93 PolarHBondContact O-N 2.88Å; M89-L93 VanDerWaalsContact O-N 3.15Å; M89-F98 HydrophobicContact CB-CE1 4.23Å; M89-F98 HydrophobicContact CB-CZ 4.05Å; M89-F113 HydrophobicContact SD-CE1 4.39Å; M89-F113 HydrophobicContact SD-CZ 4.07Å; M89-L124 HydrophobicContact CB-CD2 3.83Å; M89-L124 HydrophobicContact CG-CD2 3.85Å; M89-L124 HydrophobicContact SD-CD1 4.27Å; M89-L124 HydrophobicContact SD-CD2 4.42Å; M89-I141 HydrophobicContact CE-CD1 3.54Å; M89-I141 HydrophobicContact CE-CG1 3.91Å
90	K	85.7	Confident	83.8	Confident	94 Å²	94	56.6 Å²	56.6	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-44.1	174.6	-172.3	178.9	178.4	179.2	0	111	L86 Q87 L93 G94 F98	L86-K90 PolarHBondContact O-N 3.42Å; Q87-K90 WeakPolarHBondContact O-CB 3.44Å; Q87-K90 PolarHBondContact O-N 2.86Å; Q87-K90 VanDerWaalsContact O-N 3.1Å; K90-L93 PolarHBondContact O-N 2.9Å; K90-G94 PolarHBondContact O-N 3.12Å; K90-F98 HydrophobicContact CB-CD1 3.92Å; K90-F98 HydrophobicContact CB-CE1 4.44Å; K90-F98 HydrophobicContact CG-CD1 4.36Å
91	E	86.3	Confident	84.5	Confident	124 Å²	124	50.3 Å²	50.3	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-62.2	-43.7	176.9	-72.5	162.3	-166.7	0	0	112.3	Q87 S88 M89 L93 G94	Q87-E91 WeakPolarHBondContact CG-OE1 3.35Å; Q87-E91 PolarHBondContact NE2-OE1 3.42Å; Q87-E91 WeakPolarHBondContact O-CG 3.48Å; Q87-E91 PolarHBondContact O-N 2.91Å; S88-E91 PolarHBondContact O-N 2.79Å; M89-E91 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 2.94Å; E91-G94 PolarHBondContact O-N 2.81Å
92	L	84.8	Confident	84.8	Confident	66 Å²	66	50.7 Å²	50.7	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-30.7	176.1	-75.2	169.4	0	0	0	113.3	S88 M89 A131	S88-L92 WeakPolarHBondContact O-CB 3.21Å; S88-L92 VanDerWaalsContact O-CG 3.26Å; S88-L92 WeakPolarHBondContact O-CG 3.45Å; S88-L92 PolarHBondContact O-N 2.81Å; M89-L92 PolarHBondContact O-N 2.79Å; L92-A131 HydrophobicContact CD1-CB 3.61Å
93	L	87.2	Confident	85.1	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-82.7	-18.5	179.5	-75.1	176.3	0	0	0	113.4	M89 K90 E91 N95 V96 F98 A120 T123 L124	M89-L93 WeakPolarHBondContact O-CG 3.22Å; M89-L93 PolarHBondContact O-N 2.88Å; M89-L93 VanDerWaalsContact O-N 3.15Å; K90-L93 PolarHBondContact O-N 2.9Å; E91-L93 PolarHBondContact O-N 2.94Å; L93-N95 PolarHBondContact O-N 2.82Å; L93-N95 VanDerWaalsContact O-N 3.15Å; L93-V96 HydrophobicContact CB-CB 4.25Å; L93-V96 HydrophobicContact CD2-CB 4.34Å; L93-V96 HydrophobicContact CD2-CG1 4.46Å; L93-V96 WeakPolarHBondContact O-CB 3.35Å; L93-V96 WeakPolarHBondContact O-CG2 3.42Å; L93-V96 PolarHBondContact O-N 3.31Å; L93-F98 HydrophobicContact CD1-CB 3.65Å; L93-F98 HydrophobicContact CD1-CD2 3.47Å; L93-F98 VanDerWaalsContact CD1-CD2 3.47Å; L93-F98 HydrophobicContact CD1-CE2 4.29Å; L93-F98 HydrophobicContact CD1-CG 3.67Å; L93-A120 HydrophobicContact CD1-CB 4.01Å; L93-A120 HydrophobicContact CD2-CB 4.22Å; L93-T123 HydrophobicContact CD2-CG2 3.81Å; L93-L124 HydrophobicContact CD1-CD1 3.95Å; L93-L124 HydrophobicContact CD1-CD2 4.12Å; L93-L124 HydrophobicContact CD1-CG 3.95Å; L93-L124 HydrophobicContact CD2-CD2 4.32Å; L93-L124 HydrophobicContact CD2-CG 4.09Å; L93-L124 HydrophobicContact CG-CD2 3.97Å; L93-L124 HydrophobicContact CG-CG 4.1Å
94	G	85	Confident	85.5	Confident	51 Å²	51	54 Å²	54	53%	0.526	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	-117	-177.6	0	0	0	0	0	111.9	K90 E91 V96	K90-G94 PolarHBondContact O-N 3.12Å; E91-G94 PolarHBondContact O-N 2.81Å; G94-V96 VanDerWaalsContact C-N 3.31Å; G94-V96 PolarHBondContact O-N 2.86Å
95	N	82.7	Confident	85.5	Confident	173 Å²	173	53.9 Å²	53.9	93%	0.925	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.2	-178.2	-67.7	-17.8	0	0	0	114.1	L93 P97	L93-N95 PolarHBondContact O-N 2.82Å; L93-N95 VanDerWaalsContact O-N 3.15Å; N95-P97 WeakPolarHBondContact O-CD 3.33Å
96	V	85.3	Confident	85.1	Confident	44 Å²	44	55.2 Å²	55.2	27%	0.267	30%	0.301	S	S	.	.	S	Bend	trans	-73.3	124.3	178.6	-178.4	0	0	0	0	109.3	L93 G94 F98 N117 A120	L93-V96 HydrophobicContact CB-CB 4.25Å; L93-V96 HydrophobicContact CD2-CB 4.34Å; L93-V96 HydrophobicContact CD2-CG1 4.46Å; L93-V96 WeakPolarHBondContact O-CB 3.35Å; L93-V96 WeakPolarHBondContact O-CG2 3.42Å; L93-V96 PolarHBondContact O-N 3.31Å; G94-V96 VanDerWaalsContact C-N 3.31Å; G94-V96 PolarHBondContact O-N 2.86Å; V96-F98 PolarHBondContact O-N 3.18Å; V96-N117 WeakPolarHBondContact CG1-ND2 3.34Å; V96-A120 HydrophobicContact CG1-CB 3.81Å
97	P	80.2	Confident	84.3	Confident	81 Å²	81	59 Å²	59	53%	0.526	34%	0.344	S	S	.	.			trans	-56.8	123.3	-178.6	-27.3	34.6	0	0	0	112.7	N95 N117	N95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-N117 PolarHBondContact O-ND2 3.42Å
98	F	85.3	Confident	84	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.075	36%	0.356	C	S	.	.			trans	-122.3	104.6	-177.7	179.8	-120.9	0	0	0	111.2	L86 M89 K90 L93 V96 P100 F113 L115 L124 F237	L86-F98 HydrophobicContact CD2-CE1 4.41Å; L86-F98 HydrophobicContact CD2-CZ 4.07Å; M89-F98 HydrophobicContact CB-CE1 4.23Å; M89-F98 HydrophobicContact CB-CZ 4.05Å; K90-F98 HydrophobicContact CB-CD1 3.92Å; K90-F98 HydrophobicContact CB-CE1 4.44Å; K90-F98 HydrophobicContact CG-CD1 4.36Å; L93-F98 HydrophobicContact CD1-CB 3.65Å; L93-F98 HydrophobicContact CD1-CD2 3.47Å; L93-F98 VanDerWaalsContact CD1-CD2 3.47Å; L93-F98 HydrophobicContact CD1-CE2 4.29Å; L93-F98 HydrophobicContact CD1-CG 3.67Å; V96-F98 PolarHBondContact O-N 3.18Å; F98-P100 HydrophobicContact CE1-CG 3.9Å; F98-P100 HydrophobicContact CE2-CB 4.21Å; F98-P100 HydrophobicContact CE2-CG 4.33Å; F98-P100 HydrophobicContact CZ-CB 3.96Å; F98-P100 HydrophobicContact CZ-CG 3.77Å; F98-F113 AromaticContact CE2-CE2 3.96Å; F98-F113 HydrophobicContact CE2-CE2 3.96Å; F98-F113 HydrophobicContact CE2-CZ 4.27Å; F98-F113 HydrophobicContact CZ-CE2 4.34Å; F98-F113 HydrophobicContact CZ-CZ 4.35Å; F98-L115 HydrophobicContact CD2-CD1 4.48Å; F98-L115 HydrophobicContact CD2-CD2 3.88Å; F98-L115 HydrophobicContact CE2-CD1 4.33Å; F98-L115 HydrophobicContact CE2-CD2 3.86Å; F98-L124 HydrophobicContact CD2-CD1 4.29Å; F98-L124 HydrophobicContact CE2-CD1 3.83Å; F98-F237 HydrophobicContact CD1-CD1 4.49Å; F98-F237 HydrophobicContact CD1-CE1 4.23Å; F98-F237 HydrophobicContact CE1-CE1 4.02Å
99	I	84	Confident	83.9	Confident	27 Å²	27	59.9 Å²	59.9	14%	0.138	35%	0.354	C	S	.	.			trans	-128.4	90.5	177.9	-52.2	171.9	0	0	0	107.8	L101 L115 C210	I99-L101 HydrophobicContact CG2-CD2 3.84Å; I99-L101 HydrophobicContact CG2-CG 4.23Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-L115 WeakPolarHBondContact O-CD2 3.46Å; I99-C210 HydrophobicContact CD1-CB 3.96Å
100	P	88.4	Confident	84	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.013	36%	0.362	C	S	.	.			trans	-74.3	118.8	175.9	30.5	-34.5	0	0	0	110.3	L86 F98 I103 F113 F237	L86-P100 HydrophobicContact CD2-CB 4.32Å; L86-P100 HydrophobicContact CD2-CG 4.15Å; F98-P100 HydrophobicContact CE1-CG 3.9Å; F98-P100 HydrophobicContact CE2-CB 4.21Å; F98-P100 HydrophobicContact CE2-CG 4.33Å; F98-P100 HydrophobicContact CZ-CB 3.96Å; F98-P100 HydrophobicContact CZ-CG 3.77Å; P100-I103 HydrophobicContact CB-CD1 4.08Å; P100-I103 HydrophobicContact CB-CG1 4.01Å; P100-I103 HydrophobicContact CG-CD1 3.92Å; P100-I103 HydrophobicContact CG-CG1 4.42Å; P100-F113 HydrophobicContact CB-CB 4.17Å; P100-F113 HydrophobicContact CB-CD2 3.42Å; P100-F113 VanDerWaalsContact CB-CD2 3.42Å; P100-F113 HydrophobicContact CB-CE2 3.85Å; P100-F113 HydrophobicContact CB-CG 3.79Å; P100-F237 HydrophobicContact CG-CD1 4.19Å; P100-F237 HydrophobicContact CG-CD2 3.73Å; P100-F237 HydrophobicContact CG-CE1 3.82Å; P100-F237 HydrophobicContact CG-CE2 3.33Å; P100-F237 HydrophobicContact CG-CG 4.16Å; P100-F237 HydrophobicContact CG-CZ 3.38Å
101	L	86.3	Confident	84.3	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.7	-175.3	-63.1	167.4	0	0	0	111.5	W69 I99 I103 Y114 I203 N234	W69-L101 HydrophobicContact CH2-CD1 3.51Å; W69-L101 HydrophobicContact CZ3-CD1 3.78Å; I99-L101 HydrophobicContact CG2-CD2 3.84Å; I99-L101 HydrophobicContact CG2-CG 4.23Å; I99-L101 PolarHBondContact O-N 2.88Å; L101-I103 PolarHBondContact O-N 2.78Å; L101-Y114 PolarHBondContact N-O 2.83Å; L101-Y114 PolarHBondContact O-N 2.72Å; L101-I203 HydrophobicContact CD1-CD1 3.82Å; L101-I203 HydrophobicContact CD1-CG1 3.87Å; L101-I203 HydrophobicContact CD1-CG2 4.39Å; L101-I203 HydrophobicContact CD2-CG1 4.21Å; L101-N234 HydrophobicContact CD2-CB 3.82Å
102	F	84.5	Confident	84.6	Confident	29 Å²	29	51.9 Å²	51.9	13%	0.127	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.4	52.6	-179.5	-50.9	-70.8	0	0	0	113.1	K104 Y114 F150 A199 I203 N231 N234	F102-K104 PolarHBondContact O-N 2.73Å; F102-Y114 HydrophobicContact CD2-CD2 4.38Å; F102-F150 HydrophobicContact CD2-CE1 4.46Å; F102-F150 AromaticContact CE2-CE1 3.53Å; F102-F150 HydrophobicContact CE2-CE1 3.53Å; F102-F150 AromaticContact CE2-CZ 3.56Å; F102-F150 HydrophobicContact CE2-CZ 3.56Å; F102-F150 AromaticContact CZ-CE1 3.73Å; F102-F150 HydrophobicContact CZ-CE1 3.73Å; F102-F150 AromaticContact CZ-CZ 3.7Å; F102-F150 HydrophobicContact CZ-CZ 3.7Å; F102-A199 HydrophobicContact CE1-CB 3.97Å; F102-A199 HydrophobicContact CE2-CB 4.47Å; F102-A199 HydrophobicContact CZ-CB 3.56Å; F102-I203 HydrophobicContact CE2-CD1 3.91Å; F102-I203 HydrophobicContact CE2-CG1 4.2Å; F102-I203 HydrophobicContact CZ-CD1 4.34Å; F102-I203 HydrophobicContact CZ-CG1 4.27Å; F102-N231 WeakPolarHBondContact CE1-OD1 3.24Å; F102-N234 WeakPolarHBondContact CE1-ND2 3.2Å; F102-N234 PolarHBondContact N-OD1 2.9Å; F102-N234 VanDerWaalsContact N-OD1 3.08Å
103	I	88.4	Confident	84.9	Confident	50 Å²	50	48.7 Å²	48.7	26%	0.256	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124.2	177.3	-60.6	159	0	0	0	109.3	L86 P100 L101 I105 M111 S112 F113 F237	L86-I103 HydrophobicContact CD1-CD1 3.66Å; L86-I103 HydrophobicContact CD2-CD1 4.41Å; P100-I103 HydrophobicContact CB-CD1 4.08Å; P100-I103 HydrophobicContact CB-CG1 4.01Å; P100-I103 HydrophobicContact CG-CD1 3.92Å; P100-I103 HydrophobicContact CG-CG1 4.42Å; L101-I103 PolarHBondContact O-N 2.78Å; I103-I105 HydrophobicContact CG2-CG1 4.33Å; I103-M111 HydrophobicContact CG2-CG 3.95Å; I103-M111 HydrophobicContact CG2-SD 4Å; I103-S112 CarbonylContact C-O 3.58Å; I103-S112 WeakPolarHBondContact CA-O 3.46Å; I103-F113 HydrophobicContact CG1-CB 3.91Å; I103-F237 HydrophobicContact CD1-CE2 3.9Å
104	K	87	Confident	85	Confident	135 Å²	135	50.8 Å²	50.8	59%	0.587	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.2	172.6	-65.1	-174.2	178.9	-176.2	0	109.6	F102 M111 S112	F102-K104 PolarHBondContact O-N 2.73Å; K104-M111 CarbonylContact O-C 3.49Å; K104-M111 WeakPolarHBondContact O-CA 3.34Å; K104-S112 PolarHBondContact N-O 3.29Å; K104-S112 PolarHBondContact O-N 2.91Å
105	I	83.6	Confident	85.2	Confident	76 Å²	76	48.4 Å²	48.4	39%	0.39	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.9	176.5	-55.4	164.9	0	0	0	107.4	A82 I103 M111	A82-I105 HydrophobicContact CB-CD1 3.36Å; A82-I105 HydrophobicContact CB-CG1 4.17Å; I103-I105 HydrophobicContact CG2-CG1 4.33Å; I105-M111 HydrophobicContact CG1-CG 4.23Å
106	G	77.5	Confident	85.2	Confident	31 Å²	31	44.1 Å²	44.1	32%	0.32	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	147	178.4	0	0	0	0	0	112.2	N108 G109 V110	G106-N108 PolarHBondContact O-N 2.83Å; G106-G109 PolarHBondContact O-N 3.3Å; G106-G109 VanDerWaalsContact O-N 3.07Å; G106-V110 PolarHBondContact N-O 2.97Å
107	G	71.1	Confident	85.1	Confident	95 Å²	95	44.1 Å²	44.1	98%	0.979	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-9.3	175.7	0	0	0	0	0	114.8	G109	G107-G109 PolarHBondContact O-N 3.1Å
108	N	78.3	Confident	85.4	Confident	126 Å²	126	45.5 Å²	45.5	67%	0.674	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	8.8	172.7	63.7	-13.2	0	0	0	113.7	G106 V110	G106-N108 PolarHBondContact O-N 2.83Å; N108-V110 WeakPolarHBondContact OD1-CB 3.21Å; N108-V110 WeakPolarHBondContact OD1-CG2 3.46Å; N108-V110 PolarHBondContact OD1-N 3.07Å
109	G	82.8	Confident	85.5	Confident	22 Å²	22	48.5 Å²	48.5	23%	0.227	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	28.1	-179.7	0	0	0	0	0	113.3	P76 V77 G106 G107	P76-G109 CarbonylContact C-O 3.56Å; P76-G109 WeakPolarHBondContact CA-O 3.23Å; V77-G109 PolarHBondContact N-O 3.1Å; V77-G109 CarbonylContact O-C 3.57Å; V77-G109 WeakPolarHBondContact O-CA 3.4Å; G106-G109 PolarHBondContact O-N 3.3Å; G106-G109 VanDerWaalsContact O-N 3.07Å; G107-G109 PolarHBondContact O-N 3.1Å
110	V	90	Very high	85.7	Confident	28 Å²	28	47.2 Å²	47.2	17%	0.17	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.1	-178	-179.3	0	0	0	0	109.7	T73 V74 K75 G106 N108	T73-V110 HydrophobicContact CG2-CG1 3.29Å; V74-V110 WeakPolarHBondContact O-CA 3.33Å; K75-V110 HydrophobicContact CB-CG2 4.17Å; G106-V110 PolarHBondContact N-O 2.97Å; N108-V110 WeakPolarHBondContact OD1-CB 3.21Å; N108-V110 WeakPolarHBondContact OD1-CG2 3.46Å; N108-V110 PolarHBondContact OD1-N 3.07Å
111	M	91.6	Very high	85.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.7	169.2	-177.6	175.3	69.4	0	0	109.7	T73 V74 V77 A82 V85 L86 I103 K104 I105 F113	T73-M111 CarbonylContact C-O 3.43Å; T73-M111 WeakPolarHBondContact CA-O 3.4Å; V74-M111 HydrophobicContact CB-CB 4.41Å; V74-M111 HydrophobicContact CB-CE 4.24Å; V74-M111 HydrophobicContact CG2-CE 4.21Å; V74-M111 PolarHBondContact N-O 3.49Å; V74-M111 PolarHBondContact O-N 3.21Å; V77-M111 HydrophobicContact CB-CB 3.85Å; V77-M111 HydrophobicContact CG1-CB 3.88Å; V77-M111 HydrophobicContact CG1-SD 4.17Å; V77-M111 HydrophobicContact CG2-CB 4Å; V77-M111 HydrophobicContact CG2-CE 4.48Å; A82-M111 HydrophobicContact CB-SD 4.08Å; V85-M111 HydrophobicContact CB-CE 4.4Å; V85-M111 HydrophobicContact CG1-CE 3.73Å; L86-M111 HydrophobicContact CD1-SD 4.25Å; L86-M111 HydrophobicContact CD2-CE 3.71Å; L86-M111 HydrophobicContact CD2-SD 4.1Å; L86-M111 HydrophobicContact CG-CE 3.99Å; L86-M111 HydrophobicContact CG-SD 4.07Å; I103-M111 HydrophobicContact CG2-CG 3.95Å; I103-M111 HydrophobicContact CG2-SD 4Å; K104-M111 CarbonylContact O-C 3.49Å; K104-M111 WeakPolarHBondContact O-CA 3.34Å; I105-M111 HydrophobicContact CG1-CG 4.23Å; M111-F113 HydrophobicContact CE-CD1 4.37Å; M111-F113 HydrophobicContact CE-CE1 3.99Å; M111-F113 HydrophobicContact CG-CD1 4.43Å
112	S	92	Very high	85.9	Confident	22 Å²	22	50.3 Å²	50.3	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.1	177.2	62.4	0	0	0	0	111.8	F71 L72 I103 K104	F71-S112 VanDerWaalsContact CZ-CB 3.48Å; L72-S112 VanDerWaalsContact O-CA 3.24Å; L72-S112 WeakPolarHBondContact O-CA 3.35Å; L72-S112 WeakPolarHBondContact O-CB 3.44Å; I103-S112 CarbonylContact C-O 3.58Å; I103-S112 WeakPolarHBondContact CA-O 3.46Å; K104-S112 PolarHBondContact N-O 3.29Å; K104-S112 PolarHBondContact O-N 2.91Å
113	F	91.8	Very high	86.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	168.8	-179.2	57.8	-89.6	0	0	0	110.6	L72 V74 L86 M89 F98 P100 I103 M111 L115	L72-F113 HydrophobicContact CB-CD2 4.45Å; L72-F113 HydrophobicContact CB-CE1 4.29Å; L72-F113 HydrophobicContact CB-CE2 4.04Å; L72-F113 HydrophobicContact CB-CZ 3.96Å; L72-F113 HydrophobicContact CD2-CE2 4.02Å; L72-F113 HydrophobicContact CD2-CZ 3.91Å; L72-F113 PolarHBondContact N-O 3.11Å; L72-F113 PolarHBondContact O-N 2.74Å; V74-F113 HydrophobicContact CG2-CE1 3.83Å; V74-F113 HydrophobicContact CG2-CZ 4.45Å; L86-F113 HydrophobicContact CD2-CE1 4.35Å; M89-F113 HydrophobicContact SD-CE1 4.39Å; M89-F113 HydrophobicContact SD-CZ 4.07Å; F98-F113 AromaticContact CE2-CE2 3.96Å; F98-F113 HydrophobicContact CE2-CE2 3.96Å; F98-F113 HydrophobicContact CE2-CZ 4.27Å; F98-F113 HydrophobicContact CZ-CE2 4.34Å; F98-F113 HydrophobicContact CZ-CZ 4.35Å; P100-F113 HydrophobicContact CB-CB 4.17Å; P100-F113 HydrophobicContact CB-CD2 3.42Å; P100-F113 VanDerWaalsContact CB-CD2 3.42Å; P100-F113 HydrophobicContact CB-CE2 3.85Å; P100-F113 HydrophobicContact CB-CG 3.79Å; I103-F113 HydrophobicContact CG1-CB 3.91Å; M111-F113 HydrophobicContact CE-CD1 4.37Å; M111-F113 HydrophobicContact CE-CE1 3.99Å; M111-F113 HydrophobicContact CG-CD1 4.43Å; F113-L115 HydrophobicContact CD2-CD2 4.11Å; F113-L115 HydrophobicContact CD2-CG 4.04Å; F113-L115 HydrophobicContact CE2-CD1 3.96Å; F113-L115 HydrophobicContact CE2-CD2 3.88Å; F113-L115 HydrophobicContact CE2-CG 3.72Å
114	Y	89.9	Confident	86.1	Confident	53 Å²	53	49 Å²	49	21%	0.208	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.2	177	-67.5	-93.8	0	0	0	111.9	W69 S70 F71 L101 F102 P149	W69-Y114 HydrophobicContact CE3-CD1 4.39Å; S70-Y114 CarbonylContact O-C 3.5Å; S70-Y114 WeakPolarHBondContact O-CA 3.34Å; F71-Y114 HydrophobicContact CB-CD1 4.15Å; F71-Y114 HydrophobicContact CB-CE1 3.97Å; F71-Y114 AromaticContact CD2-CD1 3.84Å; F71-Y114 HydrophobicContact CD2-CD1 3.84Å; F71-Y114 AromaticContact CD2-CD2 3.95Å; F71-Y114 HydrophobicContact CD2-CD2 3.95Å; F71-Y114 AromaticContact CD2-CE1 3.48Å; F71-Y114 HydrophobicContact CD2-CE1 3.48Å; F71-Y114 VanDerWaalsContact CD2-CE1 3.48Å; F71-Y114 AromaticContact CD2-CE2 3.6Å; F71-Y114 HydrophobicContact CD2-CE2 3.6Å; F71-Y114 HydrophobicContact CD2-CG 4.06Å; F71-Y114 AromaticContact CD2-CZ 3.35Å; F71-Y114 HydrophobicContact CE2-CD2 4.28Å; F71-Y114 HydrophobicContact CE2-CE1 4.36Å; F71-Y114 AromaticContact CE2-CE2 3.72Å; F71-Y114 HydrophobicContact CE2-CE2 3.72Å; F71-Y114 AromaticContact CE2-CZ 3.77Å; F71-Y114 HydrophobicContact CG-CD1 4.5Å; F71-Y114 HydrophobicContact CG-CE1 4.12Å; L101-Y114 PolarHBondContact N-O 2.83Å; L101-Y114 PolarHBondContact O-N 2.72Å; F102-Y114 HydrophobicContact CD2-CD2 4.38Å; Y114-P149 HydrophobicContact CE1-CG 4.35Å; Y114-P149 HydrophobicContact CE2-CG 4.25Å
115	L	88.8	Confident	86.1	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.1	170.6	-67.5	-179.6	0	0	0	110.4	W69 S70 L72 F98 I99 F113 A120 A121 L124	W69-L115 CarbonylContact C-O 3.59Å; W69-L115 WeakPolarHBondContact CA-O 3.08Å; S70-L115 PolarHBondContact N-O 3.27Å; S70-L115 PolarHBondContact O-N 3.23Å; L72-L115 HydrophobicContact CD1-CB 4.45Å; L72-L115 HydrophobicContact CD1-CD1 3.89Å; L72-L115 HydrophobicContact CD1-CG 4.21Å; L72-L115 HydrophobicContact CD2-CD1 3.84Å; F98-L115 HydrophobicContact CD2-CD1 4.48Å; F98-L115 HydrophobicContact CD2-CD2 3.88Å; F98-L115 HydrophobicContact CE2-CD1 4.33Å; F98-L115 HydrophobicContact CE2-CD2 3.86Å; I99-L115 WeakPolarHBondContact O-CD2 3.46Å; F113-L115 HydrophobicContact CD2-CD2 4.11Å; F113-L115 HydrophobicContact CD2-CG 4.04Å; F113-L115 HydrophobicContact CE2-CD1 3.96Å; F113-L115 HydrophobicContact CE2-CD2 3.88Å; F113-L115 HydrophobicContact CE2-CG 3.72Å; L115-A120 HydrophobicContact CD1-CB 4.31Å; L115-A121 HydrophobicContact CB-CB 4.41Å; L115-A121 HydrophobicContact CD1-CB 4.06Å; L115-L124 HydrophobicContact CD1-CD1 4.01Å
116	K	83.1	Confident	86.2	Confident	83 Å²	83	44.4 Å²	44.4	36%	0.361	28%	0.283	S	S	.	.	S	Bend	trans	-76.9	-29	170.5	-169.5	-179.4	-177.7	-172	0	111.8	W69 K118 D207	W69-K116 HydrophobicContact CD2-CB 4.49Å; W69-K116 HydrophobicContact CH2-CB 4.1Å; W69-K116 HydrophobicContact CZ2-CB 3.92Å; W69-K116 HydrophobicContact CZ2-CD 4.04Å; W69-K116 HydrophobicContact CZ2-CG 3.85Å; K116-K118 PolarHBondContact O-N 3.44Å; K116-D207 IonicContact NZ-OD1 2.92Å; K116-D207 IonicContact NZ-OD2 3.92Å; K116-D207 PolarHBondContact NZ-OD2 2.95Å
117	N	82.9	Confident	86.2	Confident	44 Å²	44	44.3 Å²	44.3	24%	0.235	28%	0.277	C	S	.	.			trans	-84	110.4	-177.8	-172.8	-13.1	0	0	0	111.4	V96 P97 T119 A120 A121	V96-N117 WeakPolarHBondContact CG1-ND2 3.34Å; P97-N117 PolarHBondContact O-ND2 3.42Å; N117-T119 PolarHBondContact O-N 2.72Å; N117-T119 PolarHBondContact OD1-N 3.13Å; N117-T119 PolarHBondContact OD1-OG1 3.33Å; N117-A120 HydrophobicContact CB-CB 3.86Å; N117-A120 PolarHBondContact O-N 3.44Å; N117-A120 PolarHBondContact OD1-N 2.83Å; N117-A121 PolarHBondContact O-N 3.31Å; N117-A121 VanDerWaalsContact O-N 3.11Å
118	K	85.2	Confident	86.2	Confident	109 Å²	109	41.1 Å²	41.1	47%	0.474	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-44.8	178.2	-171.5	-173.4	178.4	-176.6	0	112.2	T68 K116 A121 D122	T68-K118 WeakPolarHBondContact OG1-CB 3.38Å; T68-K118 VanDerWaalsContact OG1-CD 3.24Å; T68-K118 WeakPolarHBondContact OG1-CD 3.29Å; T68-K118 WeakPolarHBondContact OG1-CG 3.37Å; K116-K118 PolarHBondContact O-N 3.44Å; K118-A121 WeakPolarHBondContact O-CB 3.18Å; K118-A121 PolarHBondContact O-N 3.41Å; K118-D122 WeakPolarHBondContact CE-OD2 3.3Å; K118-D122 WeakPolarHBondContact CG-OD2 3.29Å; K118-D122 PolarHBondContact O-N 3.47Å
119	T	88.1	Confident	85.5	Confident	80 Å²	80	39.7 Å²	39.7	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-44.6	-175.5	62	0	0	0	0	109.9	N117 A121 D122 T123	N117-T119 PolarHBondContact O-N 2.72Å; N117-T119 PolarHBondContact OD1-N 3.13Å; N117-T119 PolarHBondContact OD1-OG1 3.33Å; T119-A121 VanDerWaalsContact C-N 3.29Å; T119-A121 PolarHBondContact O-N 3.16Å; T119-D122 PolarHBondContact O-N 2.99Å; T119-T123 WeakPolarHBondContact O-CB 3.45Å; T119-T123 PolarHBondContact O-N 2.68Å; T119-T123 PolarHBondContact O-OG1 3.37Å
120	A	88.8	Confident	84.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.1	-45.8	172.7	0	0	0	0	0	111.9	L93 V96 L115 N117 L124	L93-A120 HydrophobicContact CD1-CB 4.01Å; L93-A120 HydrophobicContact CD2-CB 4.22Å; V96-A120 HydrophobicContact CG1-CB 3.81Å; L115-A120 HydrophobicContact CD1-CB 4.31Å; N117-A120 HydrophobicContact CB-CB 3.86Å; N117-A120 PolarHBondContact O-N 3.44Å; N117-A120 PolarHBondContact OD1-N 2.83Å; A120-L124 WeakPolarHBondContact O-CB 3.34Å; A120-L124 WeakPolarHBondContact O-CG 3.5Å; A120-L124 PolarHBondContact O-N 3.1Å
121	A	89.3	Confident	83	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-41.1	179.4	0	0	0	0	0	113.2	S70 L72 L115 N117 K118 T119 A125 K143	S70-A121 VanDerWaalsContact CB-CB 3.45Å; S70-A121 WeakPolarHBondContact OG-CB 3.34Å; L72-A121 HydrophobicContact CD1-CB 3.92Å; L115-A121 HydrophobicContact CB-CB 4.41Å; L115-A121 HydrophobicContact CD1-CB 4.06Å; N117-A121 PolarHBondContact O-N 3.31Å; N117-A121 VanDerWaalsContact O-N 3.11Å; K118-A121 WeakPolarHBondContact O-CB 3.18Å; K118-A121 PolarHBondContact O-N 3.41Å; T119-A121 VanDerWaalsContact C-N 3.29Å; T119-A121 PolarHBondContact O-N 3.16Å; A121-A125 WeakPolarHBondContact O-CB 3.37Å; A121-A125 PolarHBondContact O-N 2.85Å; A121-A125 VanDerWaalsContact O-N 3.09Å; A121-K143 HydrophobicContact CB-CD 3.96Å
122	D	89	Confident	81.4	Confident	72 Å²	72	43.1 Å²	43.1	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-66.4	-45.3	177	-78.9	-37.6	0	0	0	111.4	K118 T119 L124 A125 A126 K143	K118-D122 WeakPolarHBondContact CE-OD2 3.3Å; K118-D122 WeakPolarHBondContact CG-OD2 3.29Å; K118-D122 PolarHBondContact O-N 3.47Å; T119-D122 PolarHBondContact O-N 2.99Å; D122-L124 PolarHBondContact O-N 2.88Å; D122-A125 PolarHBondContact O-N 3.23Å; D122-A126 WeakPolarHBondContact O-CB 3.46Å; D122-A126 PolarHBondContact O-N 3.36Å; D122-K143 IonicContact OD1-NZ 2.75Å; D122-K143 PolarHBondContact OD1-NZ 2.83Å; D122-K143 IonicContact OD2-NZ 3.8Å; D122-K143 PolarHBondContact OD2-NZ 3.05Å
123	T	87.8	Confident	79.8	Confident	52 Å²	52	43.3 Å²	43.3	32%	0.319	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-47.5	177.4	-56.9	0	0	0	0	111.3	L93 T119 A125 A126 C127	L93-T123 HydrophobicContact CD2-CG2 3.81Å; T119-T123 WeakPolarHBondContact O-CB 3.45Å; T119-T123 PolarHBondContact O-N 2.68Å; T119-T123 PolarHBondContact O-OG1 3.37Å; T123-A125 VanDerWaalsContact C-N 3.33Å; T123-A125 PolarHBondContact O-N 3.1Å; T123-A126 PolarHBondContact O-N 3.1Å; T123-C127 WeakPolarHBondContact O-CB 3.42Å; T123-C127 PolarHBondContact O-N 3.47Å; T123-C127 PolarHBondContact O-SG 3.17Å
124	L	88.9	Confident	77.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-38.4	177.6	-71.9	178.2	0	0	0	112.7	L72 M89 L93 F98 L115 A120 D122 C127 S128 I141	L72-L124 HydrophobicContact CD2-CB 4.03Å; L72-L124 HydrophobicContact CD2-CD1 3.81Å; M89-L124 HydrophobicContact CB-CD2 3.83Å; M89-L124 HydrophobicContact CG-CD2 3.85Å; M89-L124 HydrophobicContact SD-CD1 4.27Å; M89-L124 HydrophobicContact SD-CD2 4.42Å; L93-L124 HydrophobicContact CD1-CD1 3.95Å; L93-L124 HydrophobicContact CD1-CD2 4.12Å; L93-L124 HydrophobicContact CD1-CG 3.95Å; L93-L124 HydrophobicContact CD2-CD2 4.32Å; L93-L124 HydrophobicContact CD2-CG 4.09Å; L93-L124 HydrophobicContact CG-CD2 3.97Å; L93-L124 HydrophobicContact CG-CG 4.1Å; F98-L124 HydrophobicContact CD2-CD1 4.29Å; F98-L124 HydrophobicContact CE2-CD1 3.83Å; L115-L124 HydrophobicContact CD1-CD1 4.01Å; A120-L124 WeakPolarHBondContact O-CB 3.34Å; A120-L124 WeakPolarHBondContact O-CG 3.5Å; A120-L124 PolarHBondContact O-N 3.1Å; D122-L124 PolarHBondContact O-N 2.88Å; L124-C127 CarbonylContact O-C 3.5Å; L124-C127 PolarHBondContact O-N 3.26Å; L124-S128 PolarHBondContact O-N 2.97Å; L124-I141 HydrophobicContact CB-CG2 4.34Å; L124-I141 VanDerWaalsContact O-CD1 3.31Å; L124-I141 WeakPolarHBondContact O-CD1 3.3Å
125	A	87.4	Confident	76	Confident	32 Å²	32	59.6 Å²	59.6	26%	0.264	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-38.5	176.9	0	0	0	0	0	112.1	A121 D122 T123 C127 S128 K143	A121-A125 WeakPolarHBondContact O-CB 3.37Å; A121-A125 PolarHBondContact O-N 2.85Å; A121-A125 VanDerWaalsContact O-N 3.09Å; D122-A125 PolarHBondContact O-N 3.23Å; T123-A125 VanDerWaalsContact C-N 3.33Å; T123-A125 PolarHBondContact O-N 3.1Å; A125-C127 VanDerWaalsContact C-N 3.33Å; A125-S128 PolarHBondContact O-N 2.81Å; A125-K143 HydrophobicContact CB-CB 3.77Å; A125-K143 HydrophobicContact CB-CD 4.3Å
126	A	86.4	Confident	74.3	Confident	81 Å²	81	62.4 Å²	62.4	67%	0.669	36%	0.357	S	S	*	.	H	α-helix	trans	-68.1	-33.8	175	0	0	0	0	0	112.2	D122 T123 S128	D122-A126 WeakPolarHBondContact O-CB 3.46Å; D122-A126 PolarHBondContact O-N 3.36Å; T123-A126 PolarHBondContact O-N 3.1Å; A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 2.57Å
127	C	76.9	Confident	73.3	Confident	30 Å²	30	64.8 Å²	64.8	20%	0.203	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	14.6	178.2	-67.3	0	0	0	0	114.2	T123 L124 A125 S129 S130 A131	T123-C127 WeakPolarHBondContact O-CB 3.42Å; T123-C127 PolarHBondContact O-N 3.47Å; T123-C127 PolarHBondContact O-SG 3.17Å; L124-C127 CarbonylContact O-C 3.5Å; L124-C127 PolarHBondContact O-N 3.26Å; A125-C127 VanDerWaalsContact C-N 3.33Å; C127-S129 PolarHBondContact O-N 3.17Å; C127-S130 WeakPolarHBondContact CA-OG 3.47Å; C127-S130 VanDerWaalsContact CB-OG 3.28Å; C127-S130 WeakPolarHBondContact CB-OG 3.43Å; C127-S130 PolarHBondContact O-N 3.34Å; C127-S130 PolarHBondContact O-OG 2.77Å; C127-A131 PolarHBondContact O-N 3.35Å
128	S	71.9	Confident	72.7	Confident	28 Å²	28	65.7 Å²	65.7	20%	0.196	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-51.7	179.9	-178.3	0	0	0	0	110.7	L124 A125 A126 S130 L139 S140 I141	L124-S128 PolarHBondContact O-N 2.97Å; A125-S128 PolarHBondContact O-N 2.81Å; A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 2.57Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 2.91Å; S128-L139 CarbonylContact C-O 3.55Å; S128-L139 CarbonylContact O-C 3.44Å; S128-L139 PolarHBondContact OG-O 3.08Å; S128-S140 VanDerWaalsContact OG-CA 3.31Å; S128-S140 WeakPolarHBondContact OG-CA 3.35Å; S128-I141 PolarHBondContact OG-N 2.56Å
129	S	63.8	Low	72.5	Confident	95 Å²	95	60.6 Å²	60.6	66%	0.664	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-23.5	-177.1	50.6	0	0	0	0	115.3	C127 S138	C127-S129 PolarHBondContact O-N 3.17Å; S129-S138 WeakPolarHBondContact CA-OG 3.32Å; S129-S138 PolarHBondContact O-OG 2.83Å
130	S	61.7	Low	72.5	Confident	68 Å²	68	59.3 Å²	59.3	48%	0.476	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-21.3	-175.3	56	0	0	0	0	114.1	C127 S128 S132	C127-S130 WeakPolarHBondContact CA-OG 3.47Å; C127-S130 VanDerWaalsContact CB-OG 3.28Å; C127-S130 WeakPolarHBondContact CB-OG 3.43Å; C127-S130 PolarHBondContact O-N 3.34Å; C127-S130 PolarHBondContact O-OG 2.77Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 2.91Å; S130-S132 PolarHBondContact O-N 3.45Å
131	A	57.2	Low	72.5	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.017	35%	0.352	C	S	.	.			trans	-75	119	174.2	0	0	0	0	0	109.9	L92 C127 L139 I141	L92-A131 HydrophobicContact CD1-CB 3.61Å; C127-A131 PolarHBondContact O-N 3.35Å; A131-L139 HydrophobicContact CB-CB 4.21Å; A131-L139 HydrophobicContact CB-CD1 3.82Å; A131-L139 HydrophobicContact CB-CG 4.47Å; A131-L139 WeakPolarHBondContact O-CB 3.35Å; A131-L139 WeakPolarHBondContact O-CG 3.41Å; A131-L139 PolarHBondContact O-N 2.94Å; A131-I141 HydrophobicContact CB-CD1 4Å
132	S	58.3	Low	72.6	Confident	52 Å²	52	67.1 Å²	67.1	36%	0.364	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-120.6	146.6	-176.4	-171.6	0	0	0	0	111.8	S130 G136	S130-S132 PolarHBondContact O-N 3.45Å; S132-G136 WeakPolarHBondContact OG-CA 3.5Å
133	T	57.8	Low	72.6	Confident	27 Å²	27	65.4 Å²	65.4	17%	0.166	37%	0.369	C	S	.	.			trans	-82.5	163.2	167.8	57.8	0	0	0	0	110.5	V85 R135 G136 K137 L139	V85-T133 HydrophobicContact CG2-CG2 4.13Å; T133-R135 PolarHBondContact O-N 2.87Å; T133-G136 PolarHBondContact O-N 2.99Å; T133-K137 PolarHBondContact N-O 3.05Å; T133-K137 PolarHBondContact OG1-O 2.94Å; T133-L139 HydrophobicContact CG2-CD2 3.7Å; T133-L139 HydrophobicContact CG2-CG 4.24Å
134	K	51.9	Low	72.7	Confident	186 Å²	186	70.6 Å²	70.6	81%	0.809	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-24.7	172.7	-86.6	-169.1	178.9	-171.4	0	114.5	G136	K134-G136 VanDerWaalsContact C-N 3.33Å
135	R	51.1	Low	72.7	Confident	209 Å²	209	74.7 Å²	74.7	79%	0.789	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	13.5	177.9	-67.1	-164.1	-176.1	-163.7	3.6	114.2	T133 K137	T133-R135 PolarHBondContact O-N 2.87Å; R135-K137 PolarHBondContact O-N 2.83Å; R135-K137 VanDerWaalsContact O-N 3.09Å
136	G	52.8	Low	72.5	Confident	60 Å²	60	74.1 Å²	74.1	62%	0.619	40%	0.398	S	S	*	.			trans	68.1	7.4	179.3	0	0	0	0	0	114.6	S132 T133 K134 S138	S132-G136 WeakPolarHBondContact OG-CA 3.5Å; T133-G136 PolarHBondContact O-N 2.99Å; K134-G136 VanDerWaalsContact C-N 3.33Å; G136-S138 PolarHBondContact O-N 3.33Å
137	K	61.5	Low	72.1	Confident	133 Å²	133	77.5 Å²	77.5	58%	0.578	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-80.3	120.6	176.4	-71.6	-173.2	178.1	-176.7	0	109.3	T133 R135	T133-K137 PolarHBondContact N-O 3.05Å; T133-K137 PolarHBondContact OG1-O 2.94Å; R135-K137 PolarHBondContact O-N 2.83Å; R135-K137 VanDerWaalsContact O-N 3.09Å
138	S	70.2	Confident	71.9	Confident	63 Å²	63	77.9 Å²	77.9	44%	0.441	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-60.6	136.7	172.2	-173.4	0	0	0	0	110.8	S129 G136	S129-S138 WeakPolarHBondContact CA-OG 3.32Å; S129-S138 PolarHBondContact O-OG 2.83Å; G136-S138 PolarHBondContact O-N 3.33Å
139	L	82.1	Confident	71.8	Confident	3 Å²	3	80 Å²	80	2%	0.016	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-86.5	137.4	180	-68	171.4	0	0	0	110.7	V74 P76 V77 V85 S128 A131 T133 I141	V74-L139 HydrophobicContact CG1-CB 4.4Å; V74-L139 HydrophobicContact CG1-CD1 4.31Å; V74-L139 HydrophobicContact CG1-CD2 4.17Å; P76-L139 VanDerWaalsContact O-CD2 3.32Å; P76-L139 WeakPolarHBondContact O-CD2 3.35Å; V77-L139 HydrophobicContact CG2-CD2 4.29Å; V85-L139 HydrophobicContact CG1-CD1 3.77Å; V85-L139 HydrophobicContact CG2-CD1 4.22Å; S128-L139 CarbonylContact C-O 3.55Å; S128-L139 CarbonylContact O-C 3.44Å; S128-L139 PolarHBondContact OG-O 3.08Å; A131-L139 HydrophobicContact CB-CB 4.21Å; A131-L139 HydrophobicContact CB-CD1 3.82Å; A131-L139 HydrophobicContact CB-CG 4.47Å; A131-L139 WeakPolarHBondContact O-CB 3.35Å; A131-L139 WeakPolarHBondContact O-CG 3.41Å; A131-L139 PolarHBondContact O-N 2.94Å; T133-L139 HydrophobicContact CG2-CD2 3.7Å; T133-L139 HydrophobicContact CG2-CG 4.24Å; L139-I141 HydrophobicContact CB-CG1 4.4Å
140	S	87.2	Confident	72.4	Confident	53 Å²	53	77.9 Å²	77.9	37%	0.371	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.7	164.4	-177.9	0	0	0	0	108.4	V74 K75 S128	V74-S140 WeakPolarHBondContact CA-O 3.34Å; K75-S140 PolarHBondContact N-O 3.09Å; K75-S140 PolarHBondContact O-N 2.85Å; S128-S140 VanDerWaalsContact OG-CA 3.31Å; S128-S140 WeakPolarHBondContact OG-CA 3.35Å
141	I	90.2	Very high	73.3	Confident	10 Å²	10	78.3 Å²	78.3	5%	0.051	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.3	176.9	-55.6	174	0	0	0	107.5	L72 T73 V74 M89 L124 S128 A131 L139	L72-I141 HydrophobicContact CD2-CG2 4.1Å; T73-I141 WeakPolarHBondContact O-CA 3.35Å; V74-I141 HydrophobicContact CG1-CG1 4.34Å; M89-I141 HydrophobicContact CE-CD1 3.54Å; M89-I141 HydrophobicContact CE-CG1 3.91Å; L124-I141 HydrophobicContact CB-CG2 4.34Å; L124-I141 VanDerWaalsContact O-CD1 3.31Å; L124-I141 WeakPolarHBondContact O-CD1 3.3Å; S128-I141 PolarHBondContact OG-N 2.56Å; A131-I141 HydrophobicContact CB-CD1 4Å; L139-I141 HydrophobicContact CB-CG1 4.4Å
142	W	89.9	Confident	74.6	Confident	153 Å²	153	80.9 Å²	80.9	58%	0.58	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.8	177	-166.5	75.3	0	0	0	110.6	L72 T73 R144	L72-W142 WeakPolarHBondContact CA-O 3.22Å; T73-W142 PolarHBondContact N-O 3.4Å; T73-W142 PolarHBondContact O-N 3.27Å; W142-R144 HydrophobicContact CE3-CB 4.27Å; W142-R144 HydrophobicContact CH2-CB 3.83Å; W142-R144 HydrophobicContact CH2-CG 4.06Å; W142-R144 HydrophobicContact CZ3-CB 3.57Å; W142-R144 HydrophobicContact CZ3-CG 4.2Å
143	K	89.8	Confident	76.1	Confident	36 Å²	36	79.1 Å²	79.1	16%	0.157	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137	178.8	170.4	-177.7	175.3	168.1	0	110.4	S70 A121 D122 A125	S70-K143 WeakPolarHBondContact OG-CE 3.49Å; A121-K143 HydrophobicContact CB-CD 3.96Å; D122-K143 IonicContact OD1-NZ 2.75Å; D122-K143 PolarHBondContact OD1-NZ 2.83Å; D122-K143 IonicContact OD2-NZ 3.8Å; D122-K143 PolarHBondContact OD2-NZ 3.05Å; A125-K143 HydrophobicContact CB-CB 3.77Å; A125-K143 HydrophobicContact CB-CD 4.3Å
144	R	89.9	Confident	77.5	Confident	161 Å²	161	81.9 Å²	81.9	61%	0.608	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	165.9	-171.2	-179.1	173.4	176.3	-0.1	110.3	S70 F71 W142 S146	S70-R144 CarbonylContact C-O 3.57Å; S70-R144 WeakPolarHBondContact CA-O 2.6Å; F71-R144 PolarHBondContact N-O 2.84Å; F71-R144 PolarHBondContact O-N 2.88Å; W142-R144 HydrophobicContact CE3-CB 4.27Å; W142-R144 HydrophobicContact CH2-CB 3.83Å; W142-R144 HydrophobicContact CH2-CG 4.06Å; W142-R144 HydrophobicContact CZ3-CB 3.57Å; W142-R144 HydrophobicContact CZ3-CG 4.2Å; R144-S146 PolarHBondContact O-N 2.83Å
145	I	88	Confident	79.1	Confident	86 Å²	86	75.5 Å²	75.5	44%	0.441	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.7	167.7	-59.2	173.2	0	0	0	107.9
146	S	84.1	Confident	81	Confident	21 Å²	21	69.1 Å²	69.1	15%	0.147	39%	0.391	C	S	.	.			trans	-130.4	157.7	-177.9	60.6	0	0	0	0	109.9	W69 F71 R144	W69-S146 CarbonylContact C-O 3.12Å; W69-S146 WeakPolarHBondContact CB-O 3.12Å; W69-S146 PolarHBondContact O-N 2.86Å; W69-S146 PolarHBondContact O-OG 2.86Å; F71-S146 PolarHBondContact N-OG 3.08Å; R144-S146 PolarHBondContact O-N 2.83Å
147	K	78.4	Confident	82.9	Confident	152 Å²	152	68.7 Å²	68.7	66%	0.661	37%	0.373	S	S	*	.			trans	-82.7	156.2	159.7	-68.5	-175.5	179.4	-176.2	0	108.3
148	P	71.2	Confident	84.3	Confident	37 Å²	37	63.8 Å²	63.8	24%	0.24	36%	0.355	C	S	.	.			trans	-54.3	138.1	166.2	24.6	-32.4	0	0	0	108.4	W69 F150 L152	W69-P148 HydrophobicContact CD2-CB 3.98Å; W69-P148 HydrophobicContact CG-CB 4.24Å; W69-P148 HydrophobicContact CZ2-CB 4.4Å; P148-F150 PolarHBondContact O-N 2.9Å; P148-L152 HydrophobicContact CB-CD1 4.35Å; P148-L152 HydrophobicContact CB-CG 4.24Å; P148-L152 HydrophobicContact CG-CD1 4.3Å; P148-L152 HydrophobicContact CG-CG 4.38Å
149	P	70.2	Confident	85.4	Confident	72 Å²	72	65.7 Å²	65.7	47%	0.468	36%	0.357	S	S	.	.	S	Bend	trans	-68.5	-2.8	-175.4	20.9	-24.9	0	0	0	113.5	Y114	Y114-P149 HydrophobicContact CE1-CG 4.35Å; Y114-P149 HydrophobicContact CE2-CG 4.25Å
150	F	77.1	Confident	86	Confident	52 Å²	52	66.9 Å²	66.9	23%	0.228	36%	0.363	C	S	.	.	S	Bend	trans	-153.6	166.7	-179.2	44.9	-97.2	0	0	0	110.3	F102 P148 L152 A199 A200 I203	F102-F150 HydrophobicContact CD2-CE1 4.46Å; F102-F150 AromaticContact CE2-CE1 3.53Å; F102-F150 HydrophobicContact CE2-CE1 3.53Å; F102-F150 AromaticContact CE2-CZ 3.56Å; F102-F150 HydrophobicContact CE2-CZ 3.56Å; F102-F150 AromaticContact CZ-CE1 3.73Å; F102-F150 HydrophobicContact CZ-CE1 3.73Å; F102-F150 AromaticContact CZ-CZ 3.7Å; F102-F150 HydrophobicContact CZ-CZ 3.7Å; P148-F150 PolarHBondContact O-N 2.9Å; F150-L152 HydrophobicContact CD2-CD2 4.37Å; F150-L152 HydrophobicContact CE2-CD2 3.88Å; F150-L152 PolarHBondContact O-N 2.97Å; F150-A199 HydrophobicContact CD1-CB 3.58Å; F150-A199 HydrophobicContact CD2-CB 4.34Å; F150-A199 HydrophobicContact CE1-CB 3.17Å; F150-A199 VanDerWaalsContact CE2-C 3.44Å; F150-A199 HydrophobicContact CE2-CB 4Å; F150-A199 HydrophobicContact CG-CB 4.12Å; F150-A199 VanDerWaalsContact CZ-C 3.43Å; F150-A199 HydrophobicContact CZ-CB 3.35Å; F150-A199 WeakPolarHBondContact CZ-O 3.37Å; F150-A200 HydrophobicContact CD2-CB 3.87Å; F150-A200 VanDerWaalsContact CE2-CA 3.46Å; F150-A200 HydrophobicContact CE2-CB 4.01Å; F150-I203 HydrophobicContact CE1-CD1 4.41Å; F150-I203 HydrophobicContact CE2-CD1 3.59Å; F150-I203 HydrophobicContact CE2-CG1 4.49Å; F150-I203 HydrophobicContact CZ-CD1 3.24Å; F150-I203 HydrophobicContact CZ-CG1 4.12Å
151	A	80.3	Confident	86.3	Confident	76 Å²	76	64.3 Å²	64.3	63%	0.628	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-70.5	122.8	174.1	0	0	0	0	0	110.5	A200	A151-A200 VanDerWaalsContact O-CB 3.24Å; A151-A200 WeakPolarHBondContact O-CB 3.35Å
152	L	85.3	Confident	86.5	Confident	56 Å²	56	66 Å²	66	29%	0.293	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-73.4	160.7	174.8	-64.9	173.3	0	0	0	110.7	W69 P148 F150 I203	W69-L152 HydrophobicContact CZ2-CD1 4.05Å; W69-L152 HydrophobicContact CZ2-CD2 4.15Å; P148-L152 HydrophobicContact CB-CD1 4.35Å; P148-L152 HydrophobicContact CB-CG 4.24Å; P148-L152 HydrophobicContact CG-CD1 4.3Å; P148-L152 HydrophobicContact CG-CG 4.38Å; F150-L152 HydrophobicContact CD2-CD2 4.37Å; F150-L152 HydrophobicContact CE2-CD2 3.88Å; F150-L152 PolarHBondContact O-N 2.97Å; L152-I203 HydrophobicContact CD2-CD1 4.2Å; L152-I203 HydrophobicContact CD2-CG2 4.34Å
153	L	88.3	Confident	86.7	Confident	16 Å²	16	63 Å²	63	8%	0.084	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.5	141.6	169.2	-56.7	-172.2	0	0	0	109.8	Q157 M161 F194 A200 A204	L153-Q157 VanDerWaalsContact CA-OE1 3.32Å; L153-Q157 HydrophobicContact CB-CB 3.97Å; L153-M161 HydrophobicContact CD1-CE 4.47Å; L153-M161 HydrophobicContact CD1-SD 4.15Å; L153-F194 HydrophobicContact CD1-CD1 4.48Å; L153-F194 HydrophobicContact CD1-CE1 4.26Å; L153-F194 HydrophobicContact CD1-CE2 4.32Å; L153-F194 HydrophobicContact CD1-CZ 4.19Å; L153-F194 HydrophobicContact CD2-CD1 4.13Å; L153-F194 HydrophobicContact CD2-CE1 3.66Å; L153-F194 HydrophobicContact CD2-CZ 4.19Å; L153-A200 HydrophobicContact CD2-CB 4.3Å; L153-A200 HydrophobicContact CG-CB 4.47Å; L153-A204 HydrophobicContact CD1-CB 3.76Å; L153-A204 HydrophobicContact CG-CB 4.26Å
154	D	88	Confident	87	Confident	85 Å²	85	61.4 Å²	61.4	46%	0.455	34%	0.344	S	S	.	.			trans	-76.4	177.3	173.8	67.7	45.6	0	0	0	111.9	A156 Q157 C158	D154-A156 PolarHBondContact O-N 3.12Å; D154-A156 PolarHBondContact OD1-N 3.37Å; D154-Q157 VanDerWaalsContact N-OE1 3.1Å; D154-Q157 PolarHBondContact O-N 2.88Å; D154-Q157 WeakPolarHBondContact OD1-CB 3.49Å; D154-Q157 VanDerWaalsContact OD1-CG 3.31Å; D154-Q157 WeakPolarHBondContact OD1-CG 3.48Å; D154-Q157 PolarHBondContact OD1-N 3.31Å; D154-C158 WeakPolarHBondContact O-CB 3.29Å; D154-C158 PolarHBondContact O-N 2.92Å; D154-C158 PolarHBondContact O-SG 3.15Å
155	G	85.7	Confident	87.2	Confident	51 Å²	51	54.2 Å²	54.2	53%	0.526	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-42.8	-177.7	0	0	0	0	0	113.3	C158 E159	G155-C158 PolarHBondContact O-N 3.2Å; G155-E159 WeakPolarHBondContact O-CG 3.3Å; G155-E159 PolarHBondContact O-N 3.37Å
156	A	90.4	Very high	87.4	Confident	75 Å²	75	56 Å²	56	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-67.7	-40.9	-179.4	0	0	0	0	0	111.3	D154 C158 E159 L160	D154-A156 PolarHBondContact O-N 3.12Å; D154-A156 PolarHBondContact OD1-N 3.37Å; A156-C158 VanDerWaalsContact C-N 3.35Å; A156-E159 PolarHBondContact O-N 3.04Å; A156-L160 PolarHBondContact O-N 2.91Å
157	Q	92.1	Very high	88	Confident	52 Å²	52	61.7 Å²	61.7	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-40.7	173.3	-71	-179.8	-21.3	0	0	112.3	L153 D154 M161 F194	L153-Q157 VanDerWaalsContact CA-OE1 3.32Å; L153-Q157 HydrophobicContact CB-CB 3.97Å; D154-Q157 VanDerWaalsContact N-OE1 3.1Å; D154-Q157 PolarHBondContact O-N 2.88Å; D154-Q157 WeakPolarHBondContact OD1-CB 3.49Å; D154-Q157 VanDerWaalsContact OD1-CG 3.31Å; D154-Q157 WeakPolarHBondContact OD1-CG 3.48Å; D154-Q157 PolarHBondContact OD1-N 3.31Å; Q157-M161 WeakPolarHBondContact O-CB 3.34Å; Q157-M161 PolarHBondContact O-N 3.49Å; Q157-F194 HydrophobicContact CB-CE2 4.35Å; Q157-F194 HydrophobicContact CB-CZ 3.67Å; Q157-F194 HydrophobicContact CG-CE1 4.48Å; Q157-F194 HydrophobicContact CG-CZ 3.79Å
158	C	91.1	Very high	88.8	Confident	30 Å²	30	56.5 Å²	56.5	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-42.6	175	-68.7	0	0	0	0	111.8	D154 G155 A156 M161 K162	D154-C158 WeakPolarHBondContact O-CB 3.29Å; D154-C158 PolarHBondContact O-N 2.92Å; D154-C158 PolarHBondContact O-SG 3.15Å; G155-C158 PolarHBondContact O-N 3.2Å; A156-C158 VanDerWaalsContact C-N 3.35Å; C158-M161 PolarHBondContact O-N 2.98Å; C158-K162 WeakPolarHBondContact O-CG 3.5Å; C158-K162 PolarHBondContact O-N 3.15Å
159	E	93.3	Very high	89.9	Confident	102 Å²	102	57.6 Å²	57.6	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-43.4	177.2	-68.4	-50.4	132.5	0	0	111.9	G155 A156 M161 K162 T163	G155-E159 WeakPolarHBondContact O-CG 3.3Å; G155-E159 PolarHBondContact O-N 3.37Å; A156-E159 PolarHBondContact O-N 3.04Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 3.26Å; E159-K162 WeakPolarHBondContact O-CB 3.43Å; E159-K162 PolarHBondContact O-N 3.34Å; E159-K162 VanDerWaalsContact O-N 3.15Å; E159-K162 IonicContact OE1-NZ 2.87Å; E159-K162 PolarHBondContact OE1-NZ 3.06Å; E159-K162 IonicContact OE2-NZ 3.68Å; E159-T163 PolarHBondContact O-N 2.75Å; E159-T163 PolarHBondContact O-OG1 2.95Å
160	L	94.8	Very high	91	Very high	28 Å²	28	57 Å²	57	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-56.2	-46	173.4	176.6	60.9	0	0	0	111.3	A156 K162 T163 V164 F187 Y190 V192	A156-L160 PolarHBondContact O-N 2.91Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 3.13Å; L160-T163 PolarHBondContact O-N 2.79Å; L160-V164 WeakPolarHBondContact O-CG2 3.41Å; L160-V164 PolarHBondContact O-N 3.1Å; L160-V164 VanDerWaalsContact O-N 3.11Å; L160-F187 HydrophobicContact CD2-CD1 4.2Å; L160-F187 HydrophobicContact CG-CD1 4.27Å; L160-F187 HydrophobicContact CG-CE1 4.24Å; L160-Y190 HydrophobicContact CD1-CD2 3.69Å; L160-Y190 HydrophobicContact CD1-CE2 3.92Å; L160-Y190 HydrophobicContact CD1-CG 4.43Å; L160-Y190 HydrophobicContact CD2-CD2 3.96Å; L160-Y190 HydrophobicContact CD2-CG 3.95Å; L160-V192 HydrophobicContact CD2-CG2 3.72Å
161	M	95	Very high	91.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-38.9	178.7	-162.8	169.1	78.1	0	0	112.2	L153 Q157 C158 E159 T163 V164 L165 F181 F187 F194 V201 A204 L205 I208	L153-M161 HydrophobicContact CD1-CE 4.47Å; L153-M161 HydrophobicContact CD1-SD 4.15Å; Q157-M161 WeakPolarHBondContact O-CB 3.34Å; Q157-M161 PolarHBondContact O-N 3.49Å; C158-M161 PolarHBondContact O-N 2.98Å; E159-M161 VanDerWaalsContact C-N 3.29Å; E159-M161 PolarHBondContact O-N 3.26Å; M161-T163 PolarHBondContact O-N 3.13Å; M161-V164 PolarHBondContact O-N 3.2Å; M161-L165 HydrophobicContact CE-CD1 4.42Å; M161-L165 HydrophobicContact CG-CD1 4.13Å; M161-L165 HydrophobicContact CG-CG 4.41Å; M161-L165 WeakPolarHBondContact O-CB 3.2Å; M161-L165 WeakPolarHBondContact O-CG 3.43Å; M161-L165 PolarHBondContact O-N 3.3Å; M161-F181 HydrophobicContact CG-CE1 4.39Å; M161-F181 HydrophobicContact CG-CZ 3.81Å; M161-F181 HydrophobicContact SD-CE1 4.12Å; M161-F181 HydrophobicContact SD-CZ 4.09Å; M161-F187 HydrophobicContact CG-CZ 4.19Å; M161-F194 HydrophobicContact SD-CD2 4.47Å; M161-V201 HydrophobicContact SD-CG1 3.96Å; M161-A204 HydrophobicContact CE-CB 3.36Å; M161-L205 HydrophobicContact CE-CB 4.23Å; M161-I208 HydrophobicContact CB-CD1 4.37Å; M161-I208 HydrophobicContact CE-CD1 3.46Å; M161-I208 VanDerWaalsContact CE-CD1 3.46Å
162	K	94	Very high	92.3	Very high	45 Å²	45	59.3 Å²	59.3	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-46.3	173.9	-73.8	172.9	-175.4	175.2	0	111.5	C158 E159 L160 V164 L165 L166 I208	C158-K162 WeakPolarHBondContact O-CG 3.5Å; C158-K162 PolarHBondContact O-N 3.15Å; E159-K162 WeakPolarHBondContact O-CB 3.43Å; E159-K162 PolarHBondContact O-N 3.34Å; E159-K162 VanDerWaalsContact O-N 3.15Å; E159-K162 IonicContact OE1-NZ 2.87Å; E159-K162 PolarHBondContact OE1-NZ 3.06Å; E159-K162 IonicContact OE2-NZ 3.68Å; L160-K162 VanDerWaalsContact C-N 3.35Å; L160-K162 PolarHBondContact O-N 3.13Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 2.89Å; K162-L165 PolarHBondContact O-N 2.94Å; K162-L166 WeakPolarHBondContact O-CG 3.42Å; K162-L166 PolarHBondContact O-N 3.42Å; K162-I208 HydrophobicContact CB-CD1 4.48Å; K162-I208 HydrophobicContact CD-CG1 4.4Å; K162-I208 HydrophobicContact CG-CB 4.47Å; K162-I208 HydrophobicContact CG-CD1 3.48Å; K162-I208 VanDerWaalsContact CG-CD1 3.48Å; K162-I208 HydrophobicContact CG-CG1 3.64Å; K162-I208 HydrophobicContact CG-CG2 3.95Å
163	T	94.3	Very high	92.6	Very high	91 Å²	91	63.2 Å²	63.2	56%	0.558	35%	0.349	S	S	*	.	H	α-helix	trans	-59.4	-44.6	178.2	-56.8	0	0	0	0	111.6	E159 L160 M161 L166 R167	E159-T163 PolarHBondContact O-N 2.75Å; E159-T163 PolarHBondContact O-OG1 2.95Å; L160-T163 PolarHBondContact O-N 2.79Å; M161-T163 PolarHBondContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 3.28Å; T163-R167 PolarHBondContact O-N 2.87Å; T163-R167 VanDerWaalsContact O-N 3.15Å
164	V	95.8	Very high	92.9	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-43.4	177.2	172.2	0	0	0	0	111.7	L160 M161 K162 R167 R168 F181 D184 F187	L160-V164 WeakPolarHBondContact O-CG2 3.41Å; L160-V164 PolarHBondContact O-N 3.1Å; L160-V164 VanDerWaalsContact O-N 3.11Å; M161-V164 PolarHBondContact O-N 3.2Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 2.89Å; V164-R167 PolarHBondContact O-N 3.32Å; V164-R168 WeakPolarHBondContact O-CB 3.5Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.86Å; V164-R168 VanDerWaalsContact O-N 3.07Å; V164-F181 HydrophobicContact CG1-CE2 4.02Å; V164-D184 HydrophobicContact CG1-CB 4.23Å; V164-D184 WeakPolarHBondContact CG1-OD2 3.4Å; V164-F187 HydrophobicContact CB-CE1 4Å; V164-F187 HydrophobicContact CB-CZ 3.85Å; V164-F187 HydrophobicContact CG1-CE1 4.26Å; V164-F187 HydrophobicContact CG1-CE2 4.21Å; V164-F187 HydrophobicContact CG1-CZ 3.71Å; V164-F187 HydrophobicContact CG2-CD1 4.24Å; V164-F187 HydrophobicContact CG2-CE1 3.56Å; V164-F187 HydrophobicContact CG2-CZ 3.9Å
165	L	94.5	Very high	93.2	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-41.9	178.3	-71.2	169.5	0	0	0	112.3	M161 K162 R167 R168 Y169 L176 L178 F181 L205 I208	M161-L165 HydrophobicContact CE-CD1 4.42Å; M161-L165 HydrophobicContact CG-CD1 4.13Å; M161-L165 HydrophobicContact CG-CG 4.41Å; M161-L165 WeakPolarHBondContact O-CB 3.2Å; M161-L165 WeakPolarHBondContact O-CG 3.43Å; M161-L165 PolarHBondContact O-N 3.3Å; K162-L165 PolarHBondContact O-N 2.94Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.04Å; L165-R168 CarbonylContact O-C 3.23Å; L165-R168 PolarHBondContact O-N 3.28Å; L165-Y169 WeakPolarHBondContact O-CB 3.41Å; L165-Y169 PolarHBondContact O-N 2.99Å; L165-L176 HydrophobicContact CD2-CD1 4.21Å; L165-L176 HydrophobicContact CD2-CD2 4.42Å; L165-L178 HydrophobicContact CD2-CD2 3.42Å; L165-L178 VanDerWaalsContact CD2-CD2 3.42Å; L165-F181 HydrophobicContact CD2-CE2 3.85Å; L165-F181 HydrophobicContact CD2-CZ 4.12Å; L165-F181 HydrophobicContact CG-CE2 4.44Å; L165-F181 HydrophobicContact CG-CZ 4.48Å; L165-L205 HydrophobicContact CD1-CD1 3.65Å; L165-L205 HydrophobicContact CD2-CD1 3.64Å; L165-L205 HydrophobicContact CG-CD1 4.31Å; L165-I208 HydrophobicContact CD1-CB 4.34Å; L165-I208 HydrophobicContact CD1-CD1 3.86Å; L165-I208 HydrophobicContact CD1-CG2 3.93Å
166	L	92.6	Very high	93.7	Very high	125 Å²	125	59.4 Å²	59.4	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-62.3	-40.8	177	-75.2	170.9	0	0	0	111.9	K162 T163 R168 Y169	K162-L166 WeakPolarHBondContact O-CG 3.42Å; K162-L166 PolarHBondContact O-N 3.42Å; T163-L166 PolarHBondContact O-N 3.28Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.74Å; L166-Y169 PolarHBondContact O-N 3.48Å
167	R	95.2	Very high	94	Very high	139 Å²	139	58 Å²	58	53%	0.525	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-34	175.3	179.9	-178.1	58.5	-166.2	-7.1	112.5	T163 V164 L165 Y169 D184 S186	T163-R167 PolarHBondContact O-N 2.87Å; T163-R167 VanDerWaalsContact O-N 3.15Å; V164-R167 PolarHBondContact O-N 3.32Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.04Å; R167-Y169 VanDerWaalsContact C-N 3.32Å; R167-D184 IonicContact CZ-OD1 2.71Å; R167-D184 IonicContact NH2-OD1 3.82Å; R167-D184 PolarHBondContact NH2-OD1 3.27Å; R167-D184 IonicContact NH2-OD2 3.87Å; R167-D184 PolarHBondContact NH2-OD2 2.98Å; R167-S186 PolarHBondContact NH1-OG 2.89Å; R167-S186 PolarHBondContact NH2-OG 2.83Å
168	R	95.1	Very high	94.3	Very high	43 Å²	43	55.6 Å²	55.6	16%	0.162	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.5	-180	-76.1	171	168.7	-110.8	5.2	113.7	V164 L165 L166 N177 S179 D184	V164-R168 WeakPolarHBondContact O-CB 3.5Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.86Å; V164-R168 VanDerWaalsContact O-N 3.07Å; L165-R168 CarbonylContact O-C 3.23Å; L165-R168 PolarHBondContact O-N 3.28Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 2.74Å; R168-N177 HydrophobicContact CB-CB 4.36Å; R168-N177 WeakPolarHBondContact CB-O 3.3Å; R168-N177 VanDerWaalsContact CD-O 3.28Å; R168-N177 WeakPolarHBondContact CD-O 3.36Å; R168-N177 PolarHBondContact NH1-O 3.29Å; R168-N177 PolarHBondContact O-N 2.89Å; R168-S179 PolarHBondContact NH1-O 2.86Å; R168-D184 IonicContact CZ-OD2 2.7Å; R168-D184 VanDerWaalsContact CZ-OD2 3.23Å; R168-D184 IonicContact NE-OD2 3.59Å; R168-D184 PolarHBondContact NE-OD2 3.39Å; R168-D184 IonicContact NH2-OD2 3.91Å; R168-D184 PolarHBondContact NH2-OD2 2.82Å
169	Y	94.8	Very high	94.6	Very high	60 Å²	60	55.5 Å²	55.5	24%	0.235	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.1	179.8	-179.2	-110.7	0	0	0	111.1	L165 L166 R167 Q174 F175 L176 L216	L165-Y169 WeakPolarHBondContact O-CB 3.41Å; L165-Y169 PolarHBondContact O-N 2.99Å; L166-Y169 PolarHBondContact O-N 3.48Å; R167-Y169 VanDerWaalsContact C-N 3.32Å; Y169-Q174 VanDerWaalsContact OH-CD 3.24Å; Y169-Q174 PolarHBondContact OH-NE2 3.33Å; Y169-Q174 VanDerWaalsContact OH-NE2 3.16Å; Y169-Q174 PolarHBondContact OH-OE1 3.43Å; Y169-F175 VanDerWaalsContact CD2-O 3.29Å; Y169-F175 WeakPolarHBondContact CD2-O 3.29Å; Y169-L176 HydrophobicContact CD2-CB 4.34Å; Y169-L176 HydrophobicContact CD2-CD1 4.32Å; Y169-L216 HydrophobicContact CD2-CD1 4.39Å; Y169-L216 HydrophobicContact CE2-CD1 3.93Å
170	D	94	Very high	94.7	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.6	171.1	177.1	-8.4	0	0	0	109.2	A172 R173 Q174 F175	D170-A172 VanDerWaalsContact C-N 3.3Å; D170-A172 PolarHBondContact O-N 3.39Å; D170-A172 WeakPolarHBondContact OD1-CB 3.36Å; D170-A172 PolarHBondContact OD1-N 2.81Å; D170-R173 PolarHBondContact OD1-N 3.14Å; D170-R173 WeakPolarHBondContact OD2-CD 3.43Å; D170-R173 WeakPolarHBondContact OD2-CG 3.47Å; D170-Q174 WeakPolarHBondContact O-CA 3.34Å; D170-Q174 PolarHBondContact O-N 3.48Å; D170-F175 HydrophobicContact CB-CB 4.23Å; D170-F175 HydrophobicContact CB-CD1 4.21Å; D170-F175 PolarHBondContact N-O 2.8Å; D170-F175 PolarHBondContact O-N 3.08Å
171	S	90.6	Very high	94.8	Very high	80 Å²	80	53 Å²	53	56%	0.559	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.3	-179.7	-171.8	0	0	0	0	113.7	Q174	S171-Q174 PolarHBondContact O-NE2 3.37Å
172	A	92.4	Very high	94.7	Very high	97 Å²	97	53.4 Å²	53.4	80%	0.802	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-41.1	-179.2	0	0	0	0	0	110.6	D170	D170-A172 VanDerWaalsContact C-N 3.3Å; D170-A172 PolarHBondContact O-N 3.39Å; D170-A172 WeakPolarHBondContact OD1-CB 3.36Å; D170-A172 PolarHBondContact OD1-N 2.81Å
173	R	92	Very high	94.7	Very high	138 Å²	138	56.7 Å²	56.7	52%	0.521	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9	177.2	-67.9	-179.6	62	-178	-3.7	114	D170 F175 E218	D170-R173 PolarHBondContact OD1-N 3.14Å; D170-R173 WeakPolarHBondContact OD2-CD 3.43Å; D170-R173 WeakPolarHBondContact OD2-CG 3.47Å; R173-F175 HydrophobicContact CB-CB 3.66Å; R173-F175 PolarHBondContact O-N 2.91Å; R173-E218 IonicContact CZ-OE2 2.68Å; R173-E218 IonicContact NE-OE2 3.05Å; R173-E218 IonicContact NH2-OE1 3.63Å; R173-E218 IonicContact NH2-OE2 3.88Å; R173-E218 PolarHBondContact NH2-OE2 3.32Å
174	Q	94.2	Very high	94.8	Very high	39 Å²	39	52.8 Å²	52.8	18%	0.182	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	49.1	-166	-58.4	-74.6	-67.2	0	0	110.4	Y169 D170 S171 T215 L216 V217 E218	Y169-Q174 VanDerWaalsContact OH-CD 3.24Å; Y169-Q174 PolarHBondContact OH-NE2 3.33Å; Y169-Q174 VanDerWaalsContact OH-NE2 3.16Å; Y169-Q174 PolarHBondContact OH-OE1 3.43Å; D170-Q174 WeakPolarHBondContact O-CA 3.34Å; D170-Q174 PolarHBondContact O-N 3.48Å; S171-Q174 PolarHBondContact O-NE2 3.37Å; Q174-T215 WeakPolarHBondContact CB-O 3.47Å; Q174-T215 WeakPolarHBondContact CG-O 3.33Å; Q174-T215 PolarHBondContact OE1-O 2.87Å; Q174-T215 PolarHBondContact OE1-OG1 3.43Å; Q174-L216 WeakPolarHBondContact O-CD1 3.36Å; Q174-V217 HydrophobicContact CB-CB 4.16Å; Q174-V217 HydrophobicContact CB-CG2 3.91Å; Q174-V217 HydrophobicContact CG-CG2 4.46Å; Q174-V217 PolarHBondContact O-N 3.12Å; Q174-E218 PolarHBondContact O-N 3.02Å
175	F	95.6	Very high	94.8	Very high	29 Å²	29	60 Å²	60	13%	0.127	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.6	-170.8	166.9	-113.8	0	0	0	110.2	Y169 D170 R173 N177 E218 D220	Y169-F175 VanDerWaalsContact CD2-O 3.29Å; Y169-F175 WeakPolarHBondContact CD2-O 3.29Å; D170-F175 HydrophobicContact CB-CB 4.23Å; D170-F175 HydrophobicContact CB-CD1 4.21Å; D170-F175 PolarHBondContact N-O 2.8Å; D170-F175 PolarHBondContact O-N 3.08Å; R173-F175 HydrophobicContact CB-CB 3.66Å; R173-F175 PolarHBondContact O-N 2.91Å; F175-N177 HydrophobicContact CE1-CB 3.74Å; F175-N177 HydrophobicContact CZ-CB 3.94Å; F175-E218 WeakPolarHBondContact CA-O 3.42Å; F175-E218 HydrophobicContact CB-CB 4.34Å; F175-E218 HydrophobicContact CD2-CB 3.75Å; F175-E218 HydrophobicContact CD2-CG 3.51Å; F175-E218 HydrophobicContact CE2-CG 3.93Å; F175-D220 HydrophobicContact CE2-CB 3.58Å; F175-D220 HydrophobicContact CZ-CB 3.62Å
176	L	96.1	Very high	94.8	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.9	175.1	-177.4	64.4	0	0	0	110.5	L165 Y169 L178 L209 L216 E218 D220	L165-L176 HydrophobicContact CD2-CD1 4.21Å; L165-L176 HydrophobicContact CD2-CD2 4.42Å; Y169-L176 HydrophobicContact CD2-CB 4.34Å; Y169-L176 HydrophobicContact CD2-CD1 4.32Å; L176-L178 HydrophobicContact CD1-CD2 4.34Å; L176-L178 HydrophobicContact CD2-CD1 4Å; L176-L178 HydrophobicContact CD2-CD2 4.04Å; L176-L178 HydrophobicContact CD2-CG 4.08Å; L176-L178 HydrophobicContact CG-CD1 4.38Å; L176-L178 HydrophobicContact CG-CD2 3.93Å; L176-L178 HydrophobicContact CG-CG 3.94Å; L176-L178 PolarHBondContact O-N 3.46Å; L176-L209 HydrophobicContact CD2-CD2 4.03Å; L176-L216 HydrophobicContact CB-CD1 3.54Å; L176-L216 HydrophobicContact CB-CD2 4.18Å; L176-L216 HydrophobicContact CB-CG 4.49Å; L176-L216 HydrophobicContact CD2-CD2 4.18Å; L176-E218 PolarHBondContact N-O 3.16Å; L176-D220 PolarHBondContact O-N 2.78Å
177	N	97.3	Very high	94.8	Very high	47 Å²	47	54.4 Å²	54.4	25%	0.251	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	100.2	178.3	-175.1	-6.4	0	0	0	111.7	R168 F175 S179	R168-N177 HydrophobicContact CB-CB 4.36Å; R168-N177 WeakPolarHBondContact CB-O 3.3Å; R168-N177 VanDerWaalsContact CD-O 3.28Å; R168-N177 WeakPolarHBondContact CD-O 3.36Å; R168-N177 PolarHBondContact NH1-O 3.29Å; R168-N177 PolarHBondContact O-N 2.89Å; F175-N177 HydrophobicContact CE1-CB 3.74Å; F175-N177 HydrophobicContact CZ-CB 3.94Å; N177-S179 VanDerWaalsContact OD1-CB 3.25Å; N177-S179 WeakPolarHBondContact OD1-CB 3.32Å; N177-S179 PolarHBondContact OD1-N 3.15Å; N177-S179 PolarHBondContact OD1-OG 3.38Å
178	L	97.2	Very high	94.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.277	C	S	.	.			trans	-105.8	21.5	172	-52.7	174.4	0	0	0	111.7	L165 L176 N180 F181 I196 L205 I219 D220 L221 N224	L165-L178 HydrophobicContact CD2-CD2 3.42Å; L165-L178 VanDerWaalsContact CD2-CD2 3.42Å; L176-L178 HydrophobicContact CD1-CD2 4.34Å; L176-L178 HydrophobicContact CD2-CD1 4Å; L176-L178 HydrophobicContact CD2-CD2 4.04Å; L176-L178 HydrophobicContact CD2-CG 4.08Å; L176-L178 HydrophobicContact CG-CD1 4.38Å; L176-L178 HydrophobicContact CG-CD2 3.93Å; L176-L178 HydrophobicContact CG-CG 3.94Å; L176-L178 PolarHBondContact O-N 3.46Å; L178-N180 PolarHBondContact O-N 3.33Å; L178-F181 HydrophobicContact CB-CB 4.5Å; L178-F181 HydrophobicContact CD2-CD2 3.82Å; L178-F181 HydrophobicContact CD2-CE2 3.93Å; L178-F181 HydrophobicContact CD2-CG 4.49Å; L178-F181 WeakPolarHBondContact O-CB 3.24Å; L178-I196 HydrophobicContact CB-CD1 4.27Å; L178-I196 HydrophobicContact CD1-CD1 3.75Å; L178-L205 HydrophobicContact CD1-CD1 4.49Å; L178-L205 HydrophobicContact CD1-CD2 3.71Å; L178-I219 HydrophobicContact CD1-CG2 4.03Å; L178-D220 CarbonylContact C-O 3.52Å; L178-D220 WeakPolarHBondContact CA-O 3.38Å; L178-D220 WeakPolarHBondContact CB-O 3.47Å; L178-D220 PolarHBondContact N-O 3.43Å; L178-L221 HydrophobicContact CB-CD2 3.84Å; L178-L221 HydrophobicContact CD1-CD2 3.85Å; L178-L221 HydrophobicContact CG-CD2 4.48Å; L178-N224 PolarHBondContact O-ND2 3.39Å
179	S	97.7	Very high	94.4	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.203	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	134.8	174.2	64.7	0	0	0	0	110.7	R168 N177 F181 D220 S222	R168-S179 PolarHBondContact NH1-O 2.86Å; N177-S179 VanDerWaalsContact OD1-CB 3.25Å; N177-S179 WeakPolarHBondContact OD1-CB 3.32Å; N177-S179 PolarHBondContact OD1-N 3.15Å; N177-S179 PolarHBondContact OD1-OG 3.38Å; S179-F181 PolarHBondContact O-N 2.91Å; S179-D220 PolarHBondContact N-O 3.26Å; S179-S222 CarbonylContact C-O 3.54Å; S179-S222 VanDerWaalsContact CA-O 3.26Å; S179-S222 WeakPolarHBondContact CA-O 3.39Å; S179-S222 WeakPolarHBondContact CB-OG 3.44Å
180	N	96	Very high	94.2	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	44.7	179.7	-162.3	26.7	0	0	0	113.1	L178 G182 E183 S222 C223	L178-N180 PolarHBondContact O-N 3.33Å; N180-G182 VanDerWaalsContact C-N 3.3Å; N180-G182 PolarHBondContact O-N 3.28Å; N180-E183 WeakPolarHBondContact ND2-CB 3.21Å; N180-E183 PolarHBondContact O-N 3.26Å; N180-E183 VanDerWaalsContact O-N 3.16Å; N180-E183 VanDerWaalsContact OD1-CG 3.3Å; N180-E183 WeakPolarHBondContact OD1-CG 3.5Å; N180-S222 PolarHBondContact N-O 3.08Å; N180-C223 HydrophobicContact CB-CB 4.22Å; N180-C223 PolarHBondContact OD1-O 3.26Å
181	F	97.1	Very high	93.9	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-63.2	-34.8	-165.1	-177.1	-108.7	0	0	0	113.2	M161 V164 L165 L178 S179 E183 D184 F187 F194 V201 N224	M161-F181 HydrophobicContact CG-CE1 4.39Å; M161-F181 HydrophobicContact CG-CZ 3.81Å; M161-F181 HydrophobicContact SD-CE1 4.12Å; M161-F181 HydrophobicContact SD-CZ 4.09Å; V164-F181 HydrophobicContact CG1-CE2 4.02Å; L165-F181 HydrophobicContact CD2-CE2 3.85Å; L165-F181 HydrophobicContact CD2-CZ 4.12Å; L165-F181 HydrophobicContact CG-CE2 4.44Å; L165-F181 HydrophobicContact CG-CZ 4.48Å; L178-F181 HydrophobicContact CB-CB 4.5Å; L178-F181 HydrophobicContact CD2-CD2 3.82Å; L178-F181 HydrophobicContact CD2-CE2 3.93Å; L178-F181 HydrophobicContact CD2-CG 4.49Å; L178-F181 WeakPolarHBondContact O-CB 3.24Å; S179-F181 PolarHBondContact O-N 2.91Å; F181-E183 PolarHBondContact O-N 3.38Å; F181-D184 PolarHBondContact O-N 3.44Å; F181-F187 HydrophobicContact CD1-CE2 4.04Å; F181-F187 HydrophobicContact CD2-CE2 4.24Å; F181-F187 AromaticContact CE1-CE2 3.67Å; F181-F187 HydrophobicContact CE1-CE2 3.67Å; F181-F187 AromaticContact CE1-CZ 3.98Å; F181-F187 HydrophobicContact CE1-CZ 3.98Å; F181-F187 AromaticContact CE2-CE2 3.9Å; F181-F187 HydrophobicContact CE2-CE2 3.9Å; F181-F187 HydrophobicContact CE2-CZ 4Å; F181-F187 HydrophobicContact CG-CE2 4.32Å; F181-F187 AromaticContact CZ-CE2 3.6Å; F181-F187 HydrophobicContact CZ-CE2 3.6Å; F181-F187 AromaticContact CZ-CZ 3.56Å; F181-F187 HydrophobicContact CZ-CZ 3.56Å; F181-F187 VanDerWaalsContact O-CD2 3.27Å; F181-F187 WeakPolarHBondContact O-CD2 3.41Å; F181-F187 VanDerWaalsContact O-CE2 3.27Å; F181-F187 WeakPolarHBondContact O-CE2 3.24Å; F181-F194 VanDerWaalsContact CD1-O 3.29Å; F181-F194 WeakPolarHBondContact CD1-O 3.31Å; F181-V201 HydrophobicContact CD1-CG1 4.38Å; F181-V201 HydrophobicContact CE1-CG1 3.88Å; F181-N224 PolarHBondContact N-OD1 2.97Å
182	G	93	Very high	93.8	Very high	9 Å²	9	67.2 Å²	67.2	9%	0.093	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.7	-180	0	0	0	0	0	114.2	N180	N180-G182 VanDerWaalsContact C-N 3.3Å; N180-G182 PolarHBondContact O-N 3.28Å
183	E	94	Very high	93.6	Very high	113 Å²	113	67.8 Å²	67.8	53%	0.528	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-102.2	18.9	-176.7	-56.8	-60.5	138	0	0	112.3	N180 F181 E185 I188	N180-E183 WeakPolarHBondContact ND2-CB 3.21Å; N180-E183 PolarHBondContact O-N 3.26Å; N180-E183 VanDerWaalsContact O-N 3.16Å; N180-E183 VanDerWaalsContact OD1-CG 3.3Å; N180-E183 WeakPolarHBondContact OD1-CG 3.5Å; F181-E183 PolarHBondContact O-N 3.38Å; E183-E185 PolarHBondContact O-N 3.48Å; E183-I188 WeakPolarHBondContact O-CD1 3.41Å
184	D	96.4	Very high	93.7	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.048	29%	0.29	C	S	.	.			trans	-59.7	135.4	174.5	-170.7	-83.4	0	0	0	111.1	V164 R167 R168 F181 S186 F187 I188	V164-D184 HydrophobicContact CG1-CB 4.23Å; V164-D184 WeakPolarHBondContact CG1-OD2 3.4Å; R167-D184 IonicContact CZ-OD1 2.71Å; R167-D184 IonicContact NH2-OD1 3.82Å; R167-D184 PolarHBondContact NH2-OD1 3.27Å; R167-D184 IonicContact NH2-OD2 3.87Å; R167-D184 PolarHBondContact NH2-OD2 2.98Å; R168-D184 IonicContact CZ-OD2 2.7Å; R168-D184 VanDerWaalsContact CZ-OD2 3.23Å; R168-D184 IonicContact NE-OD2 3.59Å; R168-D184 PolarHBondContact NE-OD2 3.39Å; R168-D184 IonicContact NH2-OD2 3.91Å; R168-D184 PolarHBondContact NH2-OD2 2.82Å; F181-D184 PolarHBondContact O-N 3.44Å; D184-S186 PolarHBondContact O-N 2.67Å; D184-S186 VanDerWaalsContact O-N 3.12Å; D184-S186 VanDerWaalsContact OD1-CB 3.29Å; D184-S186 WeakPolarHBondContact OD1-CB 3.45Å; D184-S186 PolarHBondContact OD1-N 3.42Å; D184-S186 PolarHBondContact OD1-OG 3.43Å; D184-F187 HydrophobicContact CB-CD2 3.62Å; D184-F187 HydrophobicContact CB-CE2 3.9Å; D184-F187 HydrophobicContact CB-CG 4.14Å; D184-F187 WeakPolarHBondContact O-CA 3.44Å; D184-F187 WeakPolarHBondContact O-CB 3.5Å; D184-F187 PolarHBondContact O-N 3.4Å; D184-I188 PolarHBondContact O-N 3.47Å; D184-I188 VanDerWaalsContact O-N 3.09Å
185	E	95.3	Very high	93.6	Very high	154 Å²	154	60.8 Å²	60.8	72%	0.72	29%	0.29	S	S	*	.	H	α-helix	trans	-52.8	-37.8	-177.6	-65.8	179	174.2	0	0	112.6	E183 F187 I188 E189	E183-E185 PolarHBondContact O-N 3.48Å; E185-F187 VanDerWaalsContact C-N 3.34Å; E185-F187 PolarHBondContact O-N 2.96Å; E185-I188 PolarHBondContact O-N 2.95Å; E185-E189 WeakPolarHBondContact O-CB 3.45Å; E185-E189 PolarHBondContact O-N 3.04Å
186	S	94.2	Very high	93.4	Very high	17 Å²	17	59.6 Å²	59.6	12%	0.119	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-36.1	178.1	-59.1	0	0	0	0	111.3	R167 D184 Y190	R167-S186 PolarHBondContact NH1-OG 2.89Å; R167-S186 PolarHBondContact NH2-OG 2.83Å; D184-S186 PolarHBondContact O-N 2.67Å; D184-S186 VanDerWaalsContact O-N 3.12Å; D184-S186 VanDerWaalsContact OD1-CB 3.29Å; D184-S186 WeakPolarHBondContact OD1-CB 3.45Å; D184-S186 PolarHBondContact OD1-N 3.42Å; D184-S186 PolarHBondContact OD1-OG 3.43Å; S186-Y190 VanDerWaalsContact O-CD2 3.22Å; S186-Y190 WeakPolarHBondContact O-CD2 3.46Å; S186-Y190 PolarHBondContact O-N 2.97Å; S186-Y190 VanDerWaalsContact O-N 3.13Å
187	F	93.7	Very high	93.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-37.6	176.1	-60	-25.2	0	0	0	111.9	L160 M161 V164 F181 D184 E185 R191 V192 F194	L160-F187 HydrophobicContact CD2-CD1 4.2Å; L160-F187 HydrophobicContact CG-CD1 4.27Å; L160-F187 HydrophobicContact CG-CE1 4.24Å; M161-F187 HydrophobicContact CG-CZ 4.19Å; V164-F187 HydrophobicContact CB-CE1 4Å; V164-F187 HydrophobicContact CB-CZ 3.85Å; V164-F187 HydrophobicContact CG1-CE1 4.26Å; V164-F187 HydrophobicContact CG1-CE2 4.21Å; V164-F187 HydrophobicContact CG1-CZ 3.71Å; V164-F187 HydrophobicContact CG2-CD1 4.24Å; V164-F187 HydrophobicContact CG2-CE1 3.56Å; V164-F187 HydrophobicContact CG2-CZ 3.9Å; F181-F187 HydrophobicContact CD1-CE2 4.04Å; F181-F187 HydrophobicContact CD2-CE2 4.24Å; F181-F187 AromaticContact CE1-CE2 3.67Å; F181-F187 HydrophobicContact CE1-CE2 3.67Å; F181-F187 AromaticContact CE1-CZ 3.98Å; F181-F187 HydrophobicContact CE1-CZ 3.98Å; F181-F187 AromaticContact CE2-CE2 3.9Å; F181-F187 HydrophobicContact CE2-CE2 3.9Å; F181-F187 HydrophobicContact CE2-CZ 4Å; F181-F187 HydrophobicContact CG-CE2 4.32Å; F181-F187 AromaticContact CZ-CE2 3.6Å; F181-F187 HydrophobicContact CZ-CE2 3.6Å; F181-F187 AromaticContact CZ-CZ 3.56Å; F181-F187 HydrophobicContact CZ-CZ 3.56Å; F181-F187 VanDerWaalsContact O-CD2 3.27Å; F181-F187 WeakPolarHBondContact O-CD2 3.41Å; F181-F187 VanDerWaalsContact O-CE2 3.27Å; F181-F187 WeakPolarHBondContact O-CE2 3.24Å; D184-F187 HydrophobicContact CB-CD2 3.62Å; D184-F187 HydrophobicContact CB-CE2 3.9Å; D184-F187 HydrophobicContact CB-CG 4.14Å; D184-F187 WeakPolarHBondContact O-CA 3.44Å; D184-F187 WeakPolarHBondContact O-CB 3.5Å; D184-F187 PolarHBondContact O-N 3.4Å; E185-F187 VanDerWaalsContact C-N 3.34Å; E185-F187 PolarHBondContact O-N 2.96Å; F187-R191 WeakPolarHBondContact O-CA 3.39Å; F187-R191 PolarHBondContact O-N 3.36Å; F187-V192 HydrophobicContact CB-CG2 3.81Å; F187-V192 WeakPolarHBondContact CB-O 3.31Å; F187-V192 HydrophobicContact CD1-CG2 3.85Å; F187-V192 HydrophobicContact CG-CG2 4.13Å; F187-V192 PolarHBondContact O-N 3.37Å; F187-F194 AromaticContact CD1-CD2 3.74Å; F187-F194 HydrophobicContact CD1-CD2 3.74Å; F187-F194 HydrophobicContact CD1-CE2 4.25Å; F187-F194 HydrophobicContact CD2-CB 3.98Å; F187-F194 HydrophobicContact CD2-CD2 4.42Å; F187-F194 AromaticContact CE1-CD2 3.58Å; F187-F194 HydrophobicContact CE1-CD2 3.58Å; F187-F194 HydrophobicContact CE1-CE2 4.14Å; F187-F194 HydrophobicContact CE2-CB 4Å; F187-F194 HydrophobicContact CE2-CD2 4.29Å; F187-F194 HydrophobicContact CG-CB 4.37Å; F187-F194 HydrophobicContact CG-CD2 4.19Å; F187-F194 HydrophobicContact CZ-CB 4.39Å; F187-F194 AromaticContact CZ-CD2 3.88Å; F187-F194 HydrophobicContact CZ-CD2 3.88Å
188	I	89.2	Confident	92.8	Very high	100 Å²	100	65.1 Å²	65.1	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-46.6	175.4	-62	169.8	0	0	0	110.8	E183 D184 E185 Y190 R191	E183-I188 WeakPolarHBondContact O-CD1 3.41Å; D184-I188 PolarHBondContact O-N 3.47Å; D184-I188 VanDerWaalsContact O-N 3.09Å; E185-I188 PolarHBondContact O-N 2.95Å; I188-Y190 PolarHBondContact O-N 3.17Å; I188-R191 PolarHBondContact O-N 2.89Å
189	E	92.1	Very high	92.4	Very high	138 Å²	138	66.1 Å²	66.1	65%	0.645	32%	0.316	S	S	*	.	H	α-helix	trans	-57.4	-49.5	179.1	-176.9	-176.8	-178	0	0	111.7	E185 R191	E185-E189 WeakPolarHBondContact O-CB 3.45Å; E185-E189 PolarHBondContact O-N 3.04Å; E189-R191 PolarHBondContact O-N 2.75Å
190	Y	90.5	Very high	92	Very high	147 Å²	147	64.9 Å²	64.9	58%	0.576	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	3.8	177.7	-71.1	-81.9	0	0	0	113.5	L160 S186 I188 V192	L160-Y190 HydrophobicContact CD1-CD2 3.69Å; L160-Y190 HydrophobicContact CD1-CE2 3.92Å; L160-Y190 HydrophobicContact CD1-CG 4.43Å; L160-Y190 HydrophobicContact CD2-CD2 3.96Å; L160-Y190 HydrophobicContact CD2-CG 3.95Å; S186-Y190 VanDerWaalsContact O-CD2 3.22Å; S186-Y190 WeakPolarHBondContact O-CD2 3.46Å; S186-Y190 PolarHBondContact O-N 2.97Å; S186-Y190 VanDerWaalsContact O-N 3.13Å; I188-Y190 PolarHBondContact O-N 3.17Å; Y190-V192 PolarHBondContact O-N 2.86Å
191	R	87.6	Confident	91.9	Very high	236 Å²	236	61.2 Å²	61.2	89%	0.891	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	39	180	-56.3	-175.6	177.4	-153.6	-1.2	113.5	F187 I188 E189	F187-R191 WeakPolarHBondContact O-CA 3.39Å; F187-R191 PolarHBondContact O-N 3.36Å; I188-R191 PolarHBondContact O-N 2.89Å; E189-R191 PolarHBondContact O-N 2.75Å
192	V	89	Confident	91.7	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.176	29%	0.288	C	S	.	.			trans	-105.2	139.6	175.4	-64.5	0	0	0	0	110.4	L160 F187 Y190 F194	L160-V192 HydrophobicContact CD2-CG2 3.72Å; F187-V192 HydrophobicContact CB-CG2 3.81Å; F187-V192 WeakPolarHBondContact CB-O 3.31Å; F187-V192 HydrophobicContact CD1-CG2 3.85Å; F187-V192 HydrophobicContact CG-CG2 4.13Å; F187-V192 PolarHBondContact O-N 3.37Å; Y190-V192 PolarHBondContact O-N 2.86Å; V192-F194 HydrophobicContact CB-CD1 4.22Å; V192-F194 HydrophobicContact CB-CE1 3.72Å; V192-F194 HydrophobicContact CB-CE2 4.21Å; V192-F194 HydrophobicContact CB-CZ 3.7Å; V192-F194 HydrophobicContact CG1-CE1 4.35Å; V192-F194 HydrophobicContact CG1-CZ 4.07Å; V192-F194 HydrophobicContact CG2-CD1 4.48Å; V192-F194 HydrophobicContact CG2-CD2 4.09Å; V192-F194 HydrophobicContact CG2-CE1 4.18Å; V192-F194 HydrophobicContact CG2-CE2 3.79Å; V192-F194 HydrophobicContact CG2-CG 4.39Å; V192-F194 HydrophobicContact CG2-CZ 3.8Å
193	N	87.7	Confident	91.5	Very high	108 Å²	108	60.9 Å²	60.9	58%	0.578	28%	0.284	S	S	*	.			trans	-107.1	97.5	180	-175.4	17	0	0	0	110.1	P195 R198	N193-P195 WeakPolarHBondContact O-CD 3.43Å; N193-P195 VanDerWaalsContact OD1-CD 3.32Å; N193-P195 WeakPolarHBondContact OD1-CD 3.36Å; N193-R198 PolarHBondContact O-NH1 3.39Å
194	F	93.3	Very high	91.4	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	26%	0.262	C	S	.	.			trans	-115	59.9	-175.8	-65.2	-10.6	0	0	0	113.7	L153 Q157 M161 F181 F187 V192 V201	L153-F194 HydrophobicContact CD1-CD1 4.48Å; L153-F194 HydrophobicContact CD1-CE1 4.26Å; L153-F194 HydrophobicContact CD1-CE2 4.32Å; L153-F194 HydrophobicContact CD1-CZ 4.19Å; L153-F194 HydrophobicContact CD2-CD1 4.13Å; L153-F194 HydrophobicContact CD2-CE1 3.66Å; L153-F194 HydrophobicContact CD2-CZ 4.19Å; Q157-F194 HydrophobicContact CB-CE2 4.35Å; Q157-F194 HydrophobicContact CB-CZ 3.67Å; Q157-F194 HydrophobicContact CG-CE1 4.48Å; Q157-F194 HydrophobicContact CG-CZ 3.79Å; M161-F194 HydrophobicContact SD-CD2 4.47Å; F181-F194 VanDerWaalsContact CD1-O 3.29Å; F181-F194 WeakPolarHBondContact CD1-O 3.31Å; F187-F194 AromaticContact CD1-CD2 3.74Å; F187-F194 HydrophobicContact CD1-CD2 3.74Å; F187-F194 HydrophobicContact CD1-CE2 4.25Å; F187-F194 HydrophobicContact CD2-CB 3.98Å; F187-F194 HydrophobicContact CD2-CD2 4.42Å; F187-F194 AromaticContact CE1-CD2 3.58Å; F187-F194 HydrophobicContact CE1-CD2 3.58Å; F187-F194 HydrophobicContact CE1-CE2 4.14Å; F187-F194 HydrophobicContact CE2-CB 4Å; F187-F194 HydrophobicContact CE2-CD2 4.29Å; F187-F194 HydrophobicContact CG-CB 4.37Å; F187-F194 HydrophobicContact CG-CD2 4.19Å; F187-F194 HydrophobicContact CZ-CB 4.39Å; F187-F194 AromaticContact CZ-CD2 3.88Å; F187-F194 HydrophobicContact CZ-CD2 3.88Å; V192-F194 HydrophobicContact CB-CD1 4.22Å; V192-F194 HydrophobicContact CB-CE1 3.72Å; V192-F194 HydrophobicContact CB-CE2 4.21Å; V192-F194 HydrophobicContact CB-CZ 3.7Å; V192-F194 HydrophobicContact CG1-CE1 4.35Å; V192-F194 HydrophobicContact CG1-CZ 4.07Å; V192-F194 HydrophobicContact CG2-CD1 4.48Å; V192-F194 HydrophobicContact CG2-CD2 4.09Å; V192-F194 HydrophobicContact CG2-CE1 4.18Å; V192-F194 HydrophobicContact CG2-CE2 3.79Å; V192-F194 HydrophobicContact CG2-CG 4.39Å; V192-F194 HydrophobicContact CG2-CZ 3.8Å; F194-V201 HydrophobicContact CB-CG1 4.2Å; F194-V201 HydrophobicContact CB-CG2 3.92Å; F194-V201 HydrophobicContact CD1-CG2 4.22Å; F194-V201 HydrophobicContact CG-CG2 4.28Å
195	P	92.7	Very high	91.2	Very high	30 Å²	30	55.5 Å²	55.5	20%	0.195	26%	0.26	C	S	.	.			trans	-73.1	141.4	175.2	33.3	-31.9	0	0	0	109.2	N193 N197 R198	N193-P195 WeakPolarHBondContact O-CD 3.43Å; N193-P195 VanDerWaalsContact OD1-CD 3.32Å; N193-P195 WeakPolarHBondContact OD1-CD 3.36Å; P195-N197 WeakPolarHBondContact CB-OD1 3.39Å; P195-N197 PolarHBondContact O-N 3.31Å; P195-R198 HydrophobicContact CG-CB 4.06Å; P195-R198 VanDerWaalsContact O-CB 3.25Å; P195-R198 WeakPolarHBondContact O-CB 3.38Å; P195-R198 PolarHBondContact O-N 3.01Å
196	I	92.3	Very high	90.9	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.5	-173.5	-164.1	152.2	0	0	0	113.7	L178 R198 L205 L221 N224 L226	L178-I196 HydrophobicContact CB-CD1 4.27Å; L178-I196 HydrophobicContact CD1-CD1 3.75Å; I196-R198 PolarHBondContact O-N 2.87Å; I196-L205 HydrophobicContact CD1-CD2 3.65Å; I196-L205 HydrophobicContact CG1-CD2 4.31Å; I196-L221 HydrophobicContact CD1-CD2 3.28Å; I196-L221 HydrophobicContact CG1-CD2 4.32Å; I196-N224 HydrophobicContact CG2-CB 3.69Å; I196-L226 HydrophobicContact CG2-CD2 3.98Å
197	N	89.2	Confident	90.7	Very high	70 Å²	70	48.9 Å²	48.9	37%	0.374	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.5	173.3	68	8.9	0	0	0	113.2	P195 L226 N231	P195-N197 WeakPolarHBondContact CB-OD1 3.39Å; P195-N197 PolarHBondContact O-N 3.31Å; N197-L226 HydrophobicContact CB-CD2 4.05Å; N197-N231 PolarHBondContact O-ND2 2.89Å
198	R	90.9	Very high	90.5	Very high	97 Å²	97	49.5 Å²	49.5	37%	0.366	23%	0.231	S	C	.	.	S	Bend	trans	-83.8	126.3	172.4	-177.6	176.9	169.2	-160.8	-5	109.5	N193 P195 I196 A200 V201 S202	N193-R198 PolarHBondContact O-NH1 3.39Å; P195-R198 HydrophobicContact CG-CB 4.06Å; P195-R198 VanDerWaalsContact O-CB 3.25Å; P195-R198 WeakPolarHBondContact O-CB 3.38Å; P195-R198 PolarHBondContact O-N 3.01Å; I196-R198 PolarHBondContact O-N 2.87Å; R198-A200 VanDerWaalsContact C-N 3.26Å; R198-A200 HydrophobicContact CG-CB 4.38Å; R198-A200 PolarHBondContact O-N 3.46Å; R198-A200 VanDerWaalsContact O-N 3.16Å; R198-V201 HydrophobicContact CB-CB 4.34Å; R198-V201 HydrophobicContact CB-CG2 3.91Å; R198-V201 HydrophobicContact CG-CG2 4.19Å; R198-V201 WeakPolarHBondContact O-CB 3.47Å; R198-V201 PolarHBondContact O-N 2.92Å; R198-S202 PolarHBondContact O-N 2.73Å
199	A	89.2	Confident	90.5	Very high	22 Å²	22	46 Å²	46	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-34.9	-176.5	0	0	0	0	0	114.3	F102 F150 S202 I203 N231	F102-A199 HydrophobicContact CE1-CB 3.97Å; F102-A199 HydrophobicContact CE2-CB 4.47Å; F102-A199 HydrophobicContact CZ-CB 3.56Å; F150-A199 HydrophobicContact CD1-CB 3.58Å; F150-A199 HydrophobicContact CD2-CB 4.34Å; F150-A199 HydrophobicContact CE1-CB 3.17Å; F150-A199 VanDerWaalsContact CE2-C 3.44Å; F150-A199 HydrophobicContact CE2-CB 4Å; F150-A199 HydrophobicContact CG-CB 4.12Å; F150-A199 VanDerWaalsContact CZ-C 3.43Å; F150-A199 HydrophobicContact CZ-CB 3.35Å; F150-A199 WeakPolarHBondContact CZ-O 3.37Å; A199-S202 PolarHBondContact O-OG 2.8Å; A199-I203 WeakPolarHBondContact O-CG1 3.42Å; A199-I203 PolarHBondContact O-N 2.84Å; A199-N231 WeakPolarHBondContact CA-OD1 2.9Å
200	A	89.7	Confident	90.1	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-38.4	175.1	0	0	0	0	0	113.2	F150 A151 L153 R198 A204	F150-A200 HydrophobicContact CD2-CB 3.87Å; F150-A200 VanDerWaalsContact CE2-CA 3.46Å; F150-A200 HydrophobicContact CE2-CB 4.01Å; A151-A200 VanDerWaalsContact O-CB 3.24Å; A151-A200 WeakPolarHBondContact O-CB 3.35Å; L153-A200 HydrophobicContact CD2-CB 4.3Å; L153-A200 HydrophobicContact CG-CB 4.47Å; R198-A200 VanDerWaalsContact C-N 3.26Å; R198-A200 HydrophobicContact CG-CB 4.38Å; R198-A200 PolarHBondContact O-N 3.46Å; R198-A200 VanDerWaalsContact O-N 3.16Å; A200-A204 WeakPolarHBondContact O-CB 3.4Å; A200-A204 PolarHBondContact O-N 3.38Å; A200-A204 VanDerWaalsContact O-N 3.12Å
201	V	93.6	Very high	89.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.8	-46.4	-178.8	179.8	0	0	0	0	109.6	M161 F181 F194 R198 I203 A204 L205	M161-V201 HydrophobicContact SD-CG1 3.96Å; F181-V201 HydrophobicContact CD1-CG1 4.38Å; F181-V201 HydrophobicContact CE1-CG1 3.88Å; F194-V201 HydrophobicContact CB-CG1 4.2Å; F194-V201 HydrophobicContact CB-CG2 3.92Å; F194-V201 HydrophobicContact CD1-CG2 4.22Å; F194-V201 HydrophobicContact CG-CG2 4.28Å; R198-V201 HydrophobicContact CB-CB 4.34Å; R198-V201 HydrophobicContact CB-CG2 3.91Å; R198-V201 HydrophobicContact CG-CG2 4.19Å; R198-V201 WeakPolarHBondContact O-CB 3.47Å; R198-V201 PolarHBondContact O-N 2.92Å; V201-I203 VanDerWaalsContact C-N 3.32Å; V201-I203 PolarHBondContact O-N 3.43Å; V201-A204 PolarHBondContact O-N 3.03Å; V201-L205 WeakPolarHBondContact O-CB 3.32Å; V201-L205 PolarHBondContact O-N 2.81Å
202	S	92.3	Very high	89.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-35.5	179.2	66.8	0	0	0	0	113.1	R198 A199 A206 N231 N234	R198-S202 PolarHBondContact O-N 2.73Å; A199-S202 PolarHBondContact O-OG 2.8Å; S202-A206 WeakPolarHBondContact O-CB 3.4Å; S202-A206 PolarHBondContact O-N 2.74Å; S202-N231 PolarHBondContact OG-OD1 2.98Å; S202-N234 PolarHBondContact OG-ND2 3.07Å
203	I	88.8	Confident	88.1	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-50.4	171.3	-71.5	-179.2	0	0	0	111.2	W69 L101 F102 F150 L152 A199 V201 L205 A206 D207	W69-I203 HydrophobicContact CH2-CD1 3.57Å; W69-I203 HydrophobicContact CZ2-CD1 4.27Å; W69-I203 HydrophobicContact CZ3-CD1 4.32Å; L101-I203 HydrophobicContact CD1-CD1 3.82Å; L101-I203 HydrophobicContact CD1-CG1 3.87Å; L101-I203 HydrophobicContact CD1-CG2 4.39Å; L101-I203 HydrophobicContact CD2-CG1 4.21Å; F102-I203 HydrophobicContact CE2-CD1 3.91Å; F102-I203 HydrophobicContact CE2-CG1 4.2Å; F102-I203 HydrophobicContact CZ-CD1 4.34Å; F102-I203 HydrophobicContact CZ-CG1 4.27Å; F150-I203 HydrophobicContact CE1-CD1 4.41Å; F150-I203 HydrophobicContact CE2-CD1 3.59Å; F150-I203 HydrophobicContact CE2-CG1 4.49Å; F150-I203 HydrophobicContact CZ-CD1 3.24Å; F150-I203 HydrophobicContact CZ-CG1 4.12Å; L152-I203 HydrophobicContact CD2-CD1 4.2Å; L152-I203 HydrophobicContact CD2-CG2 4.34Å; A199-I203 WeakPolarHBondContact O-CG1 3.42Å; A199-I203 PolarHBondContact O-N 2.84Å; V201-I203 VanDerWaalsContact C-N 3.32Å; V201-I203 PolarHBondContact O-N 3.43Å; I203-L205 PolarHBondContact O-N 3.21Å; I203-A206 WeakPolarHBondContact O-CB 3.43Å; I203-A206 PolarHBondContact O-N 3Å; I203-A206 VanDerWaalsContact O-N 3.09Å; I203-D207 PolarHBondContact O-N 3.17Å
204	A	90.9	Very high	87.2	Confident	7 Å²	7	35.4 Å²	35.4	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-34.9	-177.6	0	0	0	0	0	110.4	L153 M161 A200 V201 D207 I208	L153-A204 HydrophobicContact CD1-CB 3.76Å; L153-A204 HydrophobicContact CG-CB 4.26Å; M161-A204 HydrophobicContact CE-CB 3.36Å; A200-A204 WeakPolarHBondContact O-CB 3.4Å; A200-A204 PolarHBondContact O-N 3.38Å; A200-A204 VanDerWaalsContact O-N 3.12Å; V201-A204 PolarHBondContact O-N 3.03Å; A204-D207 PolarHBondContact O-N 3.17Å; A204-I208 WeakPolarHBondContact O-CB 3.38Å; A204-I208 WeakPolarHBondContact O-CD1 3.45Å; A204-I208 WeakPolarHBondContact O-CG1 3.2Å; A204-I208 PolarHBondContact O-N 3.45Å
205	L	92.8	Very high	86.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-49.4	172.4	176.2	61.2	0	0	0	111.1	M161 L165 L178 I196 V201 I203 D207 I208 L209 L235	M161-L205 HydrophobicContact CE-CB 4.23Å; L165-L205 HydrophobicContact CD1-CD1 3.65Å; L165-L205 HydrophobicContact CD2-CD1 3.64Å; L165-L205 HydrophobicContact CG-CD1 4.31Å; L178-L205 HydrophobicContact CD1-CD1 4.49Å; L178-L205 HydrophobicContact CD1-CD2 3.71Å; I196-L205 HydrophobicContact CD1-CD2 3.65Å; I196-L205 HydrophobicContact CG1-CD2 4.31Å; V201-L205 WeakPolarHBondContact O-CB 3.32Å; V201-L205 PolarHBondContact O-N 2.81Å; I203-L205 PolarHBondContact O-N 3.21Å; L205-D207 VanDerWaalsContact C-N 3.33Å; L205-D207 PolarHBondContact O-N 3.09Å; L205-I208 PolarHBondContact O-N 3.32Å; L205-L209 HydrophobicContact CD1-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CG 4.23Å; L205-L209 HydrophobicContact CG-CD1 4.18Å; L205-L209 WeakPolarHBondContact O-CG 3.33Å; L205-L209 PolarHBondContact O-N 2.84Å; L205-L235 HydrophobicContact CB-CD2 4.47Å; L205-L235 HydrophobicContact CD2-CD1 4.06Å; L205-L235 HydrophobicContact CD2-CD2 3.76Å; L205-L235 HydrophobicContact CG-CD2 3.79Å
206	A	90.3	Very high	86.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.7	-43.4	176	0	0	0	0	0	112.2	S202 I203 I208 L209 C210 L235 C238	S202-A206 WeakPolarHBondContact O-CB 3.4Å; S202-A206 PolarHBondContact O-N 2.74Å; I203-A206 WeakPolarHBondContact O-CB 3.43Å; I203-A206 PolarHBondContact O-N 3Å; I203-A206 VanDerWaalsContact O-N 3.09Å; A206-I208 PolarHBondContact O-N 2.92Å; A206-L209 PolarHBondContact O-N 3.35Å; A206-C210 WeakPolarHBondContact O-CB 3.21Å; A206-C210 PolarHBondContact O-N 3.38Å; A206-L235 HydrophobicContact CB-CD2 4.35Å; A206-C238 PolarHBondContact O-SG 3.4Å; A206-C238 VanDerWaalsContact O-SG 3.39Å
207	D	88.4	Confident	86.8	Confident	32 Å²	32	40.9 Å²	40.9	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-40.8	177.7	-82.2	-20.2	0	0	0	111.8	K116 I203 A204 L205 Q211	K116-D207 IonicContact NZ-OD1 2.92Å; K116-D207 IonicContact NZ-OD2 3.92Å; K116-D207 PolarHBondContact NZ-OD2 2.95Å; I203-D207 PolarHBondContact O-N 3.17Å; A204-D207 PolarHBondContact O-N 3.17Å; L205-D207 VanDerWaalsContact C-N 3.33Å; L205-D207 PolarHBondContact O-N 3.09Å; D207-Q211 WeakPolarHBondContact O-CG 3.27Å; D207-Q211 PolarHBondContact O-N 3.39Å; D207-Q211 PolarHBondContact O-NE2 3.43Å
208	I	89.6	Confident	87.1	Confident	13 Å²	13	39 Å²	39	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-68.8	-43.1	178.8	-70.1	163.9	0	0	0	111.2	M161 K162 L165 A204 L205 A206 C210 Q211 N212	M161-I208 HydrophobicContact CB-CD1 4.37Å; M161-I208 HydrophobicContact CE-CD1 3.46Å; M161-I208 VanDerWaalsContact CE-CD1 3.46Å; K162-I208 HydrophobicContact CB-CD1 4.48Å; K162-I208 HydrophobicContact CD-CG1 4.4Å; K162-I208 HydrophobicContact CG-CB 4.47Å; K162-I208 HydrophobicContact CG-CD1 3.48Å; K162-I208 VanDerWaalsContact CG-CD1 3.48Å; K162-I208 HydrophobicContact CG-CG1 3.64Å; K162-I208 HydrophobicContact CG-CG2 3.95Å; L165-I208 HydrophobicContact CD1-CB 4.34Å; L165-I208 HydrophobicContact CD1-CD1 3.86Å; L165-I208 HydrophobicContact CD1-CG2 3.93Å; A204-I208 WeakPolarHBondContact O-CB 3.38Å; A204-I208 WeakPolarHBondContact O-CD1 3.45Å; A204-I208 WeakPolarHBondContact O-CG1 3.2Å; A204-I208 PolarHBondContact O-N 3.45Å; L205-I208 PolarHBondContact O-N 3.32Å; A206-I208 PolarHBondContact O-N 2.92Å; I208-C210 VanDerWaalsContact C-N 3.34Å; I208-Q211 PolarHBondContact O-N 3Å; I208-N212 PolarHBondContact O-N 3.22Å; I208-N212 VanDerWaalsContact O-N 3.15Å; I208-N212 PolarHBondContact O-ND2 3.42Å
209	L	89.1	Confident	87.4	Confident	27 Å²	27	34.4 Å²	34.4	14%	0.141	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-39	176.5	-68.7	175.3	0	0	0	111.6	L176 L205 A206 Q211 N212 L216 L235 C238	L176-L209 HydrophobicContact CD2-CD2 4.03Å; L205-L209 HydrophobicContact CD1-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CG 4.23Å; L205-L209 HydrophobicContact CG-CD1 4.18Å; L205-L209 WeakPolarHBondContact O-CG 3.33Å; L205-L209 PolarHBondContact O-N 2.84Å; A206-L209 PolarHBondContact O-N 3.35Å; L209-Q211 VanDerWaalsContact C-N 3.27Å; L209-Q211 PolarHBondContact O-N 3.01Å; L209-N212 CarbonylContact O-C 3.51Å; L209-N212 PolarHBondContact O-N 3.39Å; L209-N212 VanDerWaalsContact O-O 3.11Å; L209-L216 HydrophobicContact CD2-CD2 4.38Å; L209-L235 HydrophobicContact CD1-CD2 4.06Å; L209-C238 HydrophobicContact CB-CB 4.09Å
210	C	84.1	Confident	87.9	Confident	57 Å²	57	34.5 Å²	34.5	39%	0.385	20%	0.203	S	C	.	.	H	α-helix	trans	-66.9	-29.3	177.1	-168.4	0	0	0	0	112.9	I99 A206 I208 C238	I99-C210 HydrophobicContact CD1-CB 3.96Å; A206-C210 WeakPolarHBondContact O-CB 3.21Å; A206-C210 PolarHBondContact O-N 3.38Å; I208-C210 VanDerWaalsContact C-N 3.34Å; C210-C238 HydrophobicContact CB-CB 4.43Å
211	Q	83.1	Confident	88.3	Confident	118 Å²	118	34.4 Å²	34.4	55%	0.551	20%	0.202	S	C	*	.	H	α-helix	trans	-79	-24.7	176.8	-76.1	165.6	62.6	0	0	112.9	D207 I208 L209 P213	D207-Q211 WeakPolarHBondContact O-CG 3.27Å; D207-Q211 PolarHBondContact O-N 3.39Å; D207-Q211 PolarHBondContact O-NE2 3.43Å; I208-Q211 PolarHBondContact O-N 3Å; L209-Q211 VanDerWaalsContact C-N 3.27Å; L209-Q211 PolarHBondContact O-N 3.01Å; Q211-P213 VanDerWaalsContact C-CD 3.47Å; Q211-P213 WeakPolarHBondContact O-CD 3.45Å
212	N	78.1	Confident	88.5	Confident	99 Å²	99	35 Å²	35	53%	0.529	21%	0.207	S	C	.	.	S	Bend	trans	-122.4	75.6	178.2	-62.1	-76	0	0	0	109.1	I208 L209 A214	I208-N212 PolarHBondContact O-N 3.22Å; I208-N212 VanDerWaalsContact O-N 3.15Å; I208-N212 PolarHBondContact O-ND2 3.42Å; L209-N212 CarbonylContact O-C 3.51Å; L209-N212 PolarHBondContact O-N 3.39Å; L209-N212 VanDerWaalsContact O-O 3.11Å; N212-A214 PolarHBondContact O-N 3.21Å
213	P	63.6	Low	88.7	Confident	110 Å²	110	38.3 Å²	38.3	71%	0.714	23%	0.228	S	C	*	.			trans	-73.3	68.7	-176.5	32.6	-36.7	0	0	0	110.6	Q211	Q211-P213 VanDerWaalsContact C-CD 3.47Å; Q211-P213 WeakPolarHBondContact O-CD 3.45Å
214	A	70	Confident	89.1	Confident	52 Å²	52	39 Å²	39	43%	0.43	23%	0.232	S	C	.	.			trans	-73.1	147.9	159.8	0	0	0	0	0	108.6	N212 L216	N212-A214 PolarHBondContact O-N 3.21Å; A214-L216 PolarHBondContact O-N 2.86Å
215	T	82	Confident	89.3	Confident	90 Å²	90	41.6 Å²	41.6	55%	0.552	25%	0.254	S	S	*	.			trans	-74.1	75.7	177.5	43	0	0	0	0	110.3	Q174 V217	Q174-T215 WeakPolarHBondContact CB-O 3.47Å; Q174-T215 WeakPolarHBondContact CG-O 3.33Å; Q174-T215 PolarHBondContact OE1-O 2.87Å; Q174-T215 PolarHBondContact OE1-OG1 3.43Å; T215-V217 WeakPolarHBondContact O-CG2 3.33Å; T215-V217 PolarHBondContact O-N 3.34Å
216	L	92.1	Very high	89.5	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.042	25%	0.254	C	S	.	.			trans	-64.6	118.3	179.8	-169.5	64.2	0	0	0	110.6	Y169 Q174 L176 L209 A214 I219 A239 S241 V242	Y169-L216 HydrophobicContact CD2-CD1 4.39Å; Y169-L216 HydrophobicContact CE2-CD1 3.93Å; Q174-L216 WeakPolarHBondContact O-CD1 3.36Å; L176-L216 HydrophobicContact CB-CD1 3.54Å; L176-L216 HydrophobicContact CB-CD2 4.18Å; L176-L216 HydrophobicContact CB-CG 4.49Å; L176-L216 HydrophobicContact CD2-CD2 4.18Å; L209-L216 HydrophobicContact CD2-CD2 4.38Å; A214-L216 PolarHBondContact O-N 2.86Å; L216-I219 HydrophobicContact CD2-CD1 3.54Å; L216-I219 HydrophobicContact CD2-CG1 3.61Å; L216-I219 HydrophobicContact CG-CD1 4.33Å; L216-I219 HydrophobicContact CG-CG1 3.96Å; L216-A239 HydrophobicContact CB-CB 4.42Å; L216-A239 HydrophobicContact CD2-CB 4Å; L216-S241 CarbonylContact O-C 3.21Å; L216-V242 HydrophobicContact CG-CG2 4.37Å; L216-V242 PolarHBondContact O-N 2.8Å
217	V	94.9	Very high	89.7	Confident	51 Å²	51	48.9 Å²	48.9	31%	0.309	28%	0.281	S	S	.	.			trans	-101	-37.7	-176.5	176	0	0	0	0	111.2	Q174 T215 V242 T243 R244	Q174-V217 HydrophobicContact CB-CB 4.16Å; Q174-V217 HydrophobicContact CB-CG2 3.91Å; Q174-V217 HydrophobicContact CG-CG2 4.46Å; Q174-V217 PolarHBondContact O-N 3.12Å; T215-V217 WeakPolarHBondContact O-CG2 3.33Å; T215-V217 PolarHBondContact O-N 3.34Å; V217-V242 WeakPolarHBondContact O-CA 3.39Å; V217-T243 WeakPolarHBondContact CG1-OG1 3.26Å; V217-T243 PolarHBondContact O-N 3.27Å; V217-R244 PolarHBondContact O-N 2.75Å; V217-R244 VanDerWaalsContact O-N 3.11Å
218	E	96.4	Very high	89.9	Confident	30 Å²	30	49.3 Å²	49.3	14%	0.14	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.1	-174	-172	167.9	-143.3	0	0	111.3	R173 Q174 F175 L176 R244	R173-E218 IonicContact CZ-OE2 2.68Å; R173-E218 IonicContact NE-OE2 3.05Å; R173-E218 IonicContact NH2-OE1 3.63Å; R173-E218 IonicContact NH2-OE2 3.88Å; R173-E218 PolarHBondContact NH2-OE2 3.32Å; Q174-E218 PolarHBondContact O-N 3.02Å; F175-E218 WeakPolarHBondContact CA-O 3.42Å; F175-E218 HydrophobicContact CB-CB 4.34Å; F175-E218 HydrophobicContact CD2-CB 3.75Å; F175-E218 HydrophobicContact CD2-CG 3.51Å; F175-E218 HydrophobicContact CE2-CG 3.93Å; L176-E218 PolarHBondContact N-O 3.16Å; E218-R244 VanDerWaalsContact CA-O 3.32Å; E218-R244 WeakPolarHBondContact CA-O 3.26Å; E218-R244 HydrophobicContact CB-CB 3.83Å; E218-R244 HydrophobicContact CG-CB 3.56Å; E218-R244 IonicContact OE1-CZ 2.74Å; E218-R244 IonicContact OE1-NE 3.61Å; E218-R244 PolarHBondContact OE1-NE 2.94Å
219	I	97.1	Very high	90.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.7	174.3	-52.3	-174.1	0	0	0	108.9	L178 L216 L221 A239 V242 R244 L245 D246 W264	L178-I219 HydrophobicContact CD1-CG2 4.03Å; L216-I219 HydrophobicContact CD2-CD1 3.54Å; L216-I219 HydrophobicContact CD2-CG1 3.61Å; L216-I219 HydrophobicContact CG-CD1 4.33Å; L216-I219 HydrophobicContact CG-CG1 3.96Å; I219-L221 HydrophobicContact CG2-CD1 4.24Å; I219-L221 HydrophobicContact CG2-CG 3.88Å; I219-A239 HydrophobicContact CD1-CB 4.43Å; I219-V242 HydrophobicContact CD1-CG1 4.41Å; I219-V242 HydrophobicContact CD1-CG2 3.6Å; I219-V242 HydrophobicContact CG1-CG1 4.18Å; I219-V242 HydrophobicContact CG1-CG2 3.82Å; I219-R244 PolarHBondContact N-O 2.99Å; I219-L245 HydrophobicContact CB-CD1 4.33Å; I219-L245 WeakPolarHBondContact O-CA 3.35Å; I219-D246 PolarHBondContact O-N 2.77Å; I219-W264 HydrophobicContact CD1-CH2 4.16Å; I219-W264 HydrophobicContact CD1-CZ2 4.16Å
220	D	98.3	Very high	90.3	Very high	24 Å²	24	50 Å²	50	13%	0.128	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.1	168.4	178.8	-0.9	0	0	0	109.7	F175 L176 L178 S179 S222 D246	F175-D220 HydrophobicContact CE2-CB 3.58Å; F175-D220 HydrophobicContact CZ-CB 3.62Å; L176-D220 PolarHBondContact O-N 2.78Å; L178-D220 CarbonylContact C-O 3.52Å; L178-D220 WeakPolarHBondContact CA-O 3.38Å; L178-D220 WeakPolarHBondContact CB-O 3.47Å; L178-D220 PolarHBondContact N-O 3.43Å; S179-D220 PolarHBondContact N-O 3.26Å; D220-S222 WeakPolarHBondContact OD1-CB 3.35Å; D220-S222 PolarHBondContact OD1-N 2.92Å; D220-S222 PolarHBondContact OD1-OG 3.11Å; D220-S222 PolarHBondContact OD2-OG 3.02Å; D220-D246 HydrophobicContact CB-CB 4.25Å
221	L	98.3	Very high	90.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.281	C	S	.	.			trans	-114.7	22.5	176.3	-77.1	168.5	0	0	0	111.5	L178 I196 I219 N224 L226 V232 L245 D246 L247 N250	L178-L221 HydrophobicContact CB-CD2 3.84Å; L178-L221 HydrophobicContact CD1-CD2 3.85Å; L178-L221 HydrophobicContact CG-CD2 4.48Å; I196-L221 HydrophobicContact CD1-CD2 3.28Å; I196-L221 HydrophobicContact CG1-CD2 4.32Å; I219-L221 HydrophobicContact CG2-CD1 4.24Å; I219-L221 HydrophobicContact CG2-CG 3.88Å; L221-N224 VanDerWaalsContact C-ND2 3.28Å; L221-N224 PolarHBondContact O-ND2 2.69Å; L221-L226 HydrophobicContact CB-CD1 4.27Å; L221-V232 HydrophobicContact CD1-CB 4.41Å; L221-V232 HydrophobicContact CD1-CG1 3.46Å; L221-V232 VanDerWaalsContact CD1-CG1 3.46Å; L221-V232 HydrophobicContact CD1-CG2 4.05Å; L221-L245 HydrophobicContact CD1-CD1 4.03Å; L221-D246 CarbonylContact C-O 3.14Å; L221-D246 WeakPolarHBondContact CA-O 3.47Å; L221-D246 WeakPolarHBondContact CB-O 3.32Å; L221-D246 PolarHBondContact N-O 3.42Å; L221-L247 HydrophobicContact CB-CD2 3.88Å; L221-L247 HydrophobicContact CD1-CD2 4.29Å; L221-N250 PolarHBondContact O-ND2 3.17Å
222	S	98	Very high	91.2	Very high	13 Å²	13	43 Å²	43	9%	0.091	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	154.3	-177.5	61.9	0	0	0	0	113.2	S179 N180 D220 N224 S248	S179-S222 CarbonylContact C-O 3.54Å; S179-S222 VanDerWaalsContact CA-O 3.26Å; S179-S222 WeakPolarHBondContact CA-O 3.39Å; S179-S222 WeakPolarHBondContact CB-OG 3.44Å; N180-S222 PolarHBondContact N-O 3.08Å; D220-S222 WeakPolarHBondContact OD1-CB 3.35Å; D220-S222 PolarHBondContact OD1-N 2.92Å; D220-S222 PolarHBondContact OD1-OG 3.11Å; D220-S222 PolarHBondContact OD2-OG 3.02Å; S222-N224 VanDerWaalsContact C-N 3.3Å; S222-N224 PolarHBondContact O-N 2.68Å; S222-N224 VanDerWaalsContact O-N 3.17Å; S222-N224 PolarHBondContact O-ND2 2.94Å; S222-S248 CarbonylContact C-O 3.58Å; S222-S248 WeakPolarHBondContact CA-O 3.43Å; S222-S248 WeakPolarHBondContact CB-O 3.25Å; S222-S248 WeakPolarHBondContact CB-OG 3.37Å
223	C	97.4	Very high	91.9	Very high	69 Å²	69	39.1 Å²	39.1	47%	0.466	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	35.8	172.8	-59.4	0	0	0	0	115	N180 S248 G249	N180-C223 HydrophobicContact CB-CB 4.22Å; N180-C223 PolarHBondContact OD1-O 3.26Å; C223-S248 PolarHBondContact N-O 2.71Å; C223-G249 WeakPolarHBondContact CA-O 3.47Å
224	N	97.4	Very high	93.1	Very high	16 Å²	16	34.1 Å²	34.1	9%	0.086	21%	0.205	C	C	.	.	S	Bend	trans	-106	11.5	179.8	-79.9	-61.7	0	0	0	113.7	L178 F181 I196 L221 S222 L226 N250	L178-N224 PolarHBondContact O-ND2 3.39Å; F181-N224 PolarHBondContact N-OD1 2.97Å; I196-N224 HydrophobicContact CG2-CB 3.69Å; L221-N224 VanDerWaalsContact C-ND2 3.28Å; L221-N224 PolarHBondContact O-ND2 2.69Å; S222-N224 VanDerWaalsContact C-N 3.3Å; S222-N224 PolarHBondContact O-N 2.68Å; S222-N224 VanDerWaalsContact O-N 3.17Å; S222-N224 PolarHBondContact O-ND2 2.94Å; N224-L226 HydrophobicContact CB-CD1 4.15Å; N224-L226 HydrophobicContact CB-CD2 4.39Å; N224-L226 HydrophobicContact CB-CG 3.83Å; N224-L226 PolarHBondContact O-N 3.31Å; N224-L226 VanDerWaalsContact O-N 3.17Å; N224-N250 WeakPolarHBondContact CA-OD1 3.49Å; N224-N250 PolarHBondContact N-OD1 2.86Å
225	A	95.2	Very high	94.1	Very high	62 Å²	62	31.8 Å²	31.8	51%	0.512	19%	0.185	S	C	.	.			trans	50.9	37.1	-175.2	0	0	0	0	0	113.2	R227 N250 V251	A225-R227 PolarHBondContact O-N 2.91Å; A225-N250 PolarHBondContact N-OD1 3.33Å; A225-N250 VanDerWaalsContact N-OD1 3.14Å; A225-V251 WeakPolarHBondContact O-CG2 3.14Å
226	L	96.4	Very high	94.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.163	C	C	.	.			trans	-72.1	114.9	-179.6	-63	171.6	0	0	0	110.4	I196 N197 L221 N224 L229 V232 L247 N250 V251 I252	I196-L226 HydrophobicContact CG2-CD2 3.98Å; N197-L226 HydrophobicContact CB-CD2 4.05Å; L221-L226 HydrophobicContact CB-CD1 4.27Å; N224-L226 HydrophobicContact CB-CD1 4.15Å; N224-L226 HydrophobicContact CB-CD2 4.39Å; N224-L226 HydrophobicContact CB-CG 3.83Å; N224-L226 PolarHBondContact O-N 3.31Å; N224-L226 VanDerWaalsContact O-N 3.17Å; L226-L229 HydrophobicContact CB-CD2 4.46Å; L226-L229 HydrophobicContact CD1-CD2 4.36Å; L226-V232 HydrophobicContact CD1-CG2 3.95Å; L226-V232 HydrophobicContact CD2-CG2 4.34Å; L226-L247 HydrophobicContact CD1-CD2 4.09Å; L226-N250 HydrophobicContact CB-CB 3.98Å; L226-N250 WeakPolarHBondContact CB-OD1 3.36Å; L226-N250 WeakPolarHBondContact CG-OD1 3.16Å; L226-N250 PolarHBondContact N-OD1 2.82Å; L226-V251 CarbonylContact O-C 3.54Å; L226-V251 VanDerWaalsContact O-C 3.23Å; L226-V251 PolarHBondContact O-N 3.28Å; L226-I252 WeakPolarHBondContact O-CG1 3.44Å; L226-I252 PolarHBondContact O-N 3.38Å; L226-I252 VanDerWaalsContact O-N 3.14Å
227	R	93.9	Very high	94.1	Very high	154 Å²	154	30 Å²	30	58%	0.581	17%	0.17	S	C	*	.	S	Bend	trans	-96.2	-37	167.9	-173.3	178.4	176.6	84.9	2.2	112.1	A225 V251	A225-R227 PolarHBondContact O-N 2.91Å; R227-V251 HydrophobicContact CB-CG2 3.95Å
228	A	93.7	Very high	93.7	Very high	40 Å²	40	28.6 Å²	28.6	33%	0.331	16%	0.162	S	C	.	.			trans	-124.7	141.3	-176.8	0	0	0	0	0	110.3	E257	A228-E257 WeakPolarHBondContact CA-OE2 3.1Å
229	L	95.2	Very high	93.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.			trans	-101.1	9.5	-172.2	-64.5	176.8	0	0	0	114.2	L226 N231 V232 A233 L247 I252 E257 L258 K260 L261	L226-L229 HydrophobicContact CB-CD2 4.46Å; L226-L229 HydrophobicContact CD1-CD2 4.36Å; L229-N231 VanDerWaalsContact C-N 3.28Å; L229-N231 PolarHBondContact O-N 2.9Å; L229-V232 HydrophobicContact CD2-CB 4.31Å; L229-V232 HydrophobicContact CD2-CG2 3.96Å; L229-V232 PolarHBondContact O-N 3.43Å; L229-V232 VanDerWaalsContact O-N 3.11Å; L229-A233 WeakPolarHBondContact O-CB 3.26Å; L229-A233 PolarHBondContact O-N 3.23Å; L229-L247 HydrophobicContact CD1-CD1 4.37Å; L229-L247 HydrophobicContact CD2-CD2 4.24Å; L229-I252 HydrophobicContact CD1-CD1 4.14Å; L229-I252 HydrophobicContact CD2-CD1 4.05Å; L229-I252 HydrophobicContact CG-CD1 4.36Å; L229-E257 HydrophobicContact CD1-CB 4.14Å; L229-E257 VanDerWaalsContact CD1-O 3.29Å; L229-E257 WeakPolarHBondContact CD1-O 3.42Å; L229-E257 HydrophobicContact CG-CB 4.29Å; L229-E257 PolarHBondContact N-OE2 3.39Å; L229-L258 HydrophobicContact CD1-CD2 3.72Å; L229-K260 HydrophobicContact CB-CD 4.37Å; L229-L261 HydrophobicContact CB-CD1 4.5Å; L229-L261 HydrophobicContact CB-CG 4.42Å; L229-L261 HydrophobicContact CD1-CD1 3.69Å; L229-L261 HydrophobicContact CD1-CG 4.14Å; L229-L261 HydrophobicContact CD2-CD1 4.5Å; L229-L261 HydrophobicContact CG-CD1 4.45Å
230	D	91	Very high	93	Very high	56 Å²	56	31.1 Å²	31.1	30%	0.299	18%	0.181	S	C	.	.	H	α-helix	trans	-58.3	-38.6	179.8	-55.1	-98.6	0	0	0	112.9	K260	D230-K260 VanDerWaalsContact CG-NZ 3.3Å; D230-K260 IonicContact OD1-NZ 2.68Å; D230-K260 PolarHBondContact OD1-NZ 3.07Å; D230-K260 IonicContact OD2-NZ 3.82Å; D230-K260 PolarHBondContact OD2-NZ 2.89Å
231	N	91.4	Very high	92.7	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-37.1	177.6	-70.7	-60.5	0	0	0	112.3	F102 N197 A199 S202 L229 A233 N234	F102-N231 WeakPolarHBondContact CE1-OD1 3.24Å; N197-N231 PolarHBondContact O-ND2 2.89Å; A199-N231 WeakPolarHBondContact CA-OD1 2.9Å; S202-N231 PolarHBondContact OG-OD1 2.98Å; L229-N231 VanDerWaalsContact C-N 3.28Å; L229-N231 PolarHBondContact O-N 2.9Å; N231-A233 VanDerWaalsContact C-N 3.32Å; N231-N234 WeakPolarHBondContact O-CB 3.18Å; N231-N234 PolarHBondContact O-N 3.19Å; N231-N234 PolarHBondContact O-ND2 2.92Å
232	V	94.6	Very high	92.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-36.3	177.6	-179.4	0	0	0	0	110.1	L221 L226 L229 N234 L235 L261 W264	L221-V232 HydrophobicContact CD1-CB 4.41Å; L221-V232 HydrophobicContact CD1-CG1 3.46Å; L221-V232 VanDerWaalsContact CD1-CG1 3.46Å; L221-V232 HydrophobicContact CD1-CG2 4.05Å; L226-V232 HydrophobicContact CD1-CG2 3.95Å; L226-V232 HydrophobicContact CD2-CG2 4.34Å; L229-V232 HydrophobicContact CD2-CB 4.31Å; L229-V232 HydrophobicContact CD2-CG2 3.96Å; L229-V232 PolarHBondContact O-N 3.43Å; L229-V232 VanDerWaalsContact O-N 3.11Å; V232-N234 PolarHBondContact O-N 3.28Å; V232-N234 VanDerWaalsContact O-N 3.1Å; V232-L235 VanDerWaalsContact O-CB 3.27Å; V232-L235 WeakPolarHBondContact O-CB 3.49Å; V232-L235 VanDerWaalsContact O-CG 3.31Å; V232-L235 WeakPolarHBondContact O-CG 3.35Å; V232-L235 PolarHBondContact O-N 2.87Å; V232-L261 HydrophobicContact CB-CD2 4.23Å; V232-L261 HydrophobicContact CG1-CD1 4.16Å; V232-L261 HydrophobicContact CG1-CD2 3.88Å; V232-W264 HydrophobicContact CG1-CH2 4.28Å; V232-W264 HydrophobicContact CG1-CZ3 4.37Å
233	A	92.6	Very high	92.5	Very high	19 Å²	19	34.3 Å²	34.3	16%	0.157	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-21.1	177.6	0	0	0	0	0	113.5	L229 N231 L235 L236 K260 L261	L229-A233 WeakPolarHBondContact O-CB 3.26Å; L229-A233 PolarHBondContact O-N 3.23Å; N231-A233 VanDerWaalsContact C-N 3.32Å; A233-L235 PolarHBondContact O-N 2.9Å; A233-L236 HydrophobicContact CB-CD1 3.99Å; A233-L236 WeakPolarHBondContact O-CB 3.43Å; A233-L236 WeakPolarHBondContact O-CD1 3.37Å; A233-L236 VanDerWaalsContact O-CG 3.24Å; A233-L236 WeakPolarHBondContact O-CG 3.46Å; A233-L236 PolarHBondContact O-N 3.46Å; A233-K260 HydrophobicContact CB-CB 4.44Å; A233-L261 HydrophobicContact CB-CD2 4.13Å
234	N	89.1	Confident	92.5	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22	172.4	-66	-31	0	0	0	112.5	L101 F102 S202 N231 V232	L101-N234 HydrophobicContact CD2-CB 3.82Å; F102-N234 WeakPolarHBondContact CE1-ND2 3.2Å; F102-N234 PolarHBondContact N-OD1 2.9Å; F102-N234 VanDerWaalsContact N-OD1 3.08Å; S202-N234 PolarHBondContact OG-ND2 3.07Å; N231-N234 WeakPolarHBondContact O-CB 3.18Å; N231-N234 PolarHBondContact O-N 3.19Å; N231-N234 PolarHBondContact O-ND2 2.92Å; V232-N234 PolarHBondContact O-N 3.28Å; V232-N234 VanDerWaalsContact O-N 3.1Å
235	L	90.9	Very high	92.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.1	-180	-52.7	-178	0	0	0	113	L205 A206 L209 V232 A233 F237 C238 A239 W264	L205-L235 HydrophobicContact CB-CD2 4.47Å; L205-L235 HydrophobicContact CD2-CD1 4.06Å; L205-L235 HydrophobicContact CD2-CD2 3.76Å; L205-L235 HydrophobicContact CG-CD2 3.79Å; A206-L235 HydrophobicContact CB-CD2 4.35Å; L209-L235 HydrophobicContact CD1-CD2 4.06Å; V232-L235 VanDerWaalsContact O-CB 3.27Å; V232-L235 WeakPolarHBondContact O-CB 3.49Å; V232-L235 VanDerWaalsContact O-CG 3.31Å; V232-L235 WeakPolarHBondContact O-CG 3.35Å; V232-L235 PolarHBondContact O-N 2.87Å; A233-L235 PolarHBondContact O-N 2.9Å; L235-F237 PolarHBondContact O-N 2.94Å; L235-F237 VanDerWaalsContact O-N 3.16Å; L235-C238 PolarHBondContact O-N 2.89Å; L235-C238 VanDerWaalsContact O-N 3.09Å; L235-A239 PolarHBondContact O-N 2.79Å; L235-W264 HydrophobicContact CB-CH2 4.32Å; L235-W264 HydrophobicContact CB-CZ2 4.05Å
236	L	90.5	Very high	92.7	Very high	18 Å²	18	33.2 Å²	33.2	9%	0.094	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.5	-175.4	-66.4	169.4	0	0	0	113.1	A233 K260 L261 W264	A233-L236 HydrophobicContact CB-CD1 3.99Å; A233-L236 WeakPolarHBondContact O-CB 3.43Å; A233-L236 WeakPolarHBondContact O-CD1 3.37Å; A233-L236 VanDerWaalsContact O-CG 3.24Å; A233-L236 WeakPolarHBondContact O-CG 3.46Å; A233-L236 PolarHBondContact O-N 3.46Å; L236-K260 VanDerWaalsContact CD1-O 3.31Å; L236-K260 WeakPolarHBondContact CD1-O 3.23Å; L236-L261 HydrophobicContact CD2-CD2 4.45Å; L236-W264 HydrophobicContact CD2-CB 4.42Å; L236-W264 HydrophobicContact CD2-CD2 3.51Å; L236-W264 HydrophobicContact CD2-CE3 4.09Å; L236-W264 HydrophobicContact CD2-CG 3.62Å; L236-W264 HydrophobicContact CD2-CZ2 4.25Å
237	F	84.1	Confident	92.8	Very high	44 Å²	44	33.1 Å²	33.1	19%	0.193	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-26.5	-178.1	-75.1	-90.4	0	0	0	113.4	L86 F98 P100 I103 L235	L86-F237 HydrophobicContact CB-CZ 4.14Å; L86-F237 HydrophobicContact CD1-CZ 4.09Å; F98-F237 HydrophobicContact CD1-CD1 4.49Å; F98-F237 HydrophobicContact CD1-CE1 4.23Å; F98-F237 HydrophobicContact CE1-CE1 4.02Å; P100-F237 HydrophobicContact CG-CD1 4.19Å; P100-F237 HydrophobicContact CG-CD2 3.73Å; P100-F237 HydrophobicContact CG-CE1 3.82Å; P100-F237 HydrophobicContact CG-CE2 3.33Å; P100-F237 HydrophobicContact CG-CG 4.16Å; P100-F237 HydrophobicContact CG-CZ 3.38Å; I103-F237 HydrophobicContact CD1-CE2 3.9Å; L235-F237 PolarHBondContact O-N 2.94Å; L235-F237 VanDerWaalsContact O-N 3.16Å
238	C	86.1	Confident	92.9	Very high	20 Å²	20	26.2 Å²	26.2	14%	0.135	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-25.3	-175.9	-53	0	0	0	0	112.1	A206 L209 C210 L235 P240	A206-C238 PolarHBondContact O-SG 3.4Å; A206-C238 VanDerWaalsContact O-SG 3.39Å; L209-C238 HydrophobicContact CB-CB 4.09Å; C210-C238 HydrophobicContact CB-CB 4.43Å; L235-C238 PolarHBondContact O-N 2.89Å; L235-C238 VanDerWaalsContact O-N 3.09Å; C238-P240 VanDerWaalsContact C-CD 3.44Å
239	A	90.3	Very high	93	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.041	15%	0.151	C	C	.	.			trans	-128	64.4	176.8	0	0	0	0	0	110.4	L216 I219 L235 S241 V242 W264	L216-A239 HydrophobicContact CB-CB 4.42Å; L216-A239 HydrophobicContact CD2-CB 4Å; I219-A239 HydrophobicContact CD1-CB 4.43Å; L235-A239 PolarHBondContact O-N 2.79Å; A239-S241 PolarHBondContact O-N 2.92Å; A239-V242 HydrophobicContact CB-CG2 3.75Å; A239-V242 WeakPolarHBondContact O-CG2 3.46Å; A239-W264 PolarHBondContact O-NE1 3.11Å
240	P	89.1	Confident	93	Very high	79 Å²	79	25.7 Å²	25.7	51%	0.513	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.2	-175.3	29.2	-36.4	0	0	0	113.5	C238 V242	C238-P240 VanDerWaalsContact C-CD 3.44Å; P240-V242 VanDerWaalsContact C-N 3.29Å; P240-V242 PolarHBondContact O-N 2.65Å
241	S	91.6	Very high	93.2	Very high	62 Å²	62	26.2 Å²	26.2	43%	0.434	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.3	-175.3	-52.9	0	0	0	0	114.4	L216 A239 T243	L216-S241 CarbonylContact O-C 3.21Å; A239-S241 PolarHBondContact O-N 2.92Å; S241-T243 PolarHBondContact O-N 3.09Å
242	V	95.6	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.			trans	-65.4	124.7	-179.5	175.3	0	0	0	0	109.7	L216 V217 I219 A239 P240 W264 L266	L216-V242 HydrophobicContact CG-CG2 4.37Å; L216-V242 PolarHBondContact O-N 2.8Å; V217-V242 WeakPolarHBondContact O-CA 3.39Å; I219-V242 HydrophobicContact CD1-CG1 4.41Å; I219-V242 HydrophobicContact CD1-CG2 3.6Å; I219-V242 HydrophobicContact CG1-CG1 4.18Å; I219-V242 HydrophobicContact CG1-CG2 3.82Å; A239-V242 HydrophobicContact CB-CG2 3.75Å; A239-V242 WeakPolarHBondContact O-CG2 3.46Å; P240-V242 VanDerWaalsContact C-N 3.29Å; P240-V242 PolarHBondContact O-N 2.65Å; V242-W264 HydrophobicContact CB-CD2 4.11Å; V242-W264 HydrophobicContact CB-CG 4.27Å; V242-W264 HydrophobicContact CB-CZ2 4.21Å; V242-W264 HydrophobicContact CG1-CD2 4.18Å; V242-W264 HydrophobicContact CG1-CE3 4.4Å; V242-W264 HydrophobicContact CG1-CZ2 4.38Å; V242-W264 HydrophobicContact CG2-CZ2 4.12Å; V242-L266 HydrophobicContact CG1-CD2 4.12Å
243	T	96.5	Very high	93	Very high	43 Å²	43	27.3 Å²	27.3	26%	0.264	16%	0.164	S	C	.	.			trans	-121.6	-12	177.4	58.4	0	0	0	0	112.3	V217 S241 L266 V267 A268	V217-T243 WeakPolarHBondContact CG1-OG1 3.26Å; V217-T243 PolarHBondContact O-N 3.27Å; S241-T243 PolarHBondContact O-N 3.09Å; T243-L266 CarbonylContact O-C 3.58Å; T243-L266 WeakPolarHBondContact O-CA 3.33Å; T243-V267 PolarHBondContact O-N 3.34Å; T243-A268 PolarHBondContact O-N 3.3Å; T243-A268 VanDerWaalsContact O-N 3.12Å
244	R	97.8	Very high	92.7	Very high	87 Å²	87	28 Å²	28	33%	0.328	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.8	179	-57.6	-176.4	68.4	85.6	1.1	109.9	V217 E218 I219 A268	V217-R244 PolarHBondContact O-N 2.75Å; V217-R244 VanDerWaalsContact O-N 3.11Å; E218-R244 VanDerWaalsContact CA-O 3.32Å; E218-R244 WeakPolarHBondContact CA-O 3.26Å; E218-R244 HydrophobicContact CB-CB 3.83Å; E218-R244 HydrophobicContact CG-CB 3.56Å; E218-R244 IonicContact OE1-CZ 2.74Å; E218-R244 IonicContact OE1-NE 3.61Å; E218-R244 PolarHBondContact OE1-NE 2.94Å; I219-R244 PolarHBondContact N-O 2.99Å; R244-A268 WeakPolarHBondContact CA-O 3.37Å; R244-A268 HydrophobicContact CB-CB 4.33Å; R244-A268 HydrophobicContact CG-CB 4.02Å
245	L	98.4	Very high	92.6	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.8	-175.2	178	64.1	0	0	0	110.9	I219 L221 L247 L261 W264 L266 A268 L269 S270	I219-L245 HydrophobicContact CB-CD1 4.33Å; I219-L245 WeakPolarHBondContact O-CA 3.35Å; L221-L245 HydrophobicContact CD1-CD1 4.03Å; L245-L247 HydrophobicContact CD1-CG 4.4Å; L245-L247 HydrophobicContact CD2-CD1 3.81Å; L245-L247 HydrophobicContact CD2-CG 4.02Å; L245-L247 HydrophobicContact CG-CD1 4.32Å; L245-L247 HydrophobicContact CG-CG 3.99Å; L245-L261 HydrophobicContact CD2-CD1 3.88Å; L245-W264 HydrophobicContact CD1-CZ3 4.01Å; L245-W264 HydrophobicContact CD2-CE3 4.03Å; L245-W264 HydrophobicContact CD2-CZ3 3.76Å; L245-W264 HydrophobicContact CG-CZ3 4.45Å; L245-L266 HydrophobicContact CB-CD1 3.96Å; L245-L266 HydrophobicContact CB-CD2 3.89Å; L245-L266 HydrophobicContact CD2-CD1 3.85Å; L245-A268 PolarHBondContact N-O 2.68Å; L245-L269 HydrophobicContact CB-CD1 4.16Å; L245-L269 HydrophobicContact CD2-CD1 4.03Å; L245-L269 HydrophobicContact CG-CD1 4.13Å; L245-L269 CarbonylContact O-C 3.36Å; L245-L269 VanDerWaalsContact O-CA 3.3Å; L245-L269 WeakPolarHBondContact O-CA 3.25Å; L245-S270 PolarHBondContact O-N 3.14Å
246	D	98.1	Very high	92.3	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.2	170.1	-157.9	-43.3	0	0	0	110.5	I219 D220 L221 S248 S270	I219-D246 PolarHBondContact O-N 2.77Å; D220-D246 HydrophobicContact CB-CB 4.25Å; L221-D246 CarbonylContact C-O 3.14Å; L221-D246 WeakPolarHBondContact CA-O 3.47Å; L221-D246 WeakPolarHBondContact CB-O 3.32Å; L221-D246 PolarHBondContact N-O 3.42Å; D246-S248 WeakPolarHBondContact OD1-CB 3.39Å; D246-S248 PolarHBondContact OD1-N 3.4Å; D246-S248 PolarHBondContact OD1-OG 3.08Å; D246-S270 VanDerWaalsContact CG-CB 3.45Å; D246-S270 WeakPolarHBondContact OD1-CB 3.42Å; D246-S270 WeakPolarHBondContact OD2-CB 3.47Å; D246-S270 PolarHBondContact OD2-OG 3.37Å
247	L	98	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.			trans	-117.7	18	174.1	-71.6	171.5	0	0	0	111.5	L221 L226 L229 L245 N250 I252 L258 L261 L269 S270 L271 N274	L221-L247 HydrophobicContact CB-CD2 3.88Å; L221-L247 HydrophobicContact CD1-CD2 4.29Å; L226-L247 HydrophobicContact CD1-CD2 4.09Å; L229-L247 HydrophobicContact CD1-CD1 4.37Å; L229-L247 HydrophobicContact CD2-CD2 4.24Å; L245-L247 HydrophobicContact CD1-CG 4.4Å; L245-L247 HydrophobicContact CD2-CD1 3.81Å; L245-L247 HydrophobicContact CD2-CG 4.02Å; L245-L247 HydrophobicContact CG-CD1 4.32Å; L245-L247 HydrophobicContact CG-CG 3.99Å; L247-N250 WeakPolarHBondContact O-CB 3.42Å; L247-N250 PolarHBondContact O-ND2 3.37Å; L247-I252 HydrophobicContact CB-CD1 4.25Å; L247-I252 HydrophobicContact CD1-CD1 3.96Å; L247-I252 HydrophobicContact CG-CD1 4.49Å; L247-L258 HydrophobicContact CD1-CD2 3.93Å; L247-L261 HydrophobicContact CD1-CD1 4.36Å; L247-L269 HydrophobicContact CD1-CD1 4.21Å; L247-S270 CarbonylContact C-O 3.53Å; L247-S270 WeakPolarHBondContact CA-O 3.35Å; L247-S270 WeakPolarHBondContact CB-O 3.49Å; L247-S270 PolarHBondContact N-O 2.82Å; L247-L271 HydrophobicContact CB-CD2 4.13Å; L247-L271 HydrophobicContact CD1-CD2 4.19Å; L247-N274 PolarHBondContact O-ND2 2.85Å
248	S	96.2	Very high	92.8	Very high	8 Å²	8	33.2 Å²	33.2	6%	0.056	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	152.2	-175.7	57.9	0	0	0	0	113.4	S222 C223 D246 N250 R272	S222-S248 CarbonylContact C-O 3.58Å; S222-S248 WeakPolarHBondContact CA-O 3.43Å; S222-S248 WeakPolarHBondContact CB-O 3.25Å; S222-S248 WeakPolarHBondContact CB-OG 3.37Å; C223-S248 PolarHBondContact N-O 2.71Å; D246-S248 WeakPolarHBondContact OD1-CB 3.39Å; D246-S248 PolarHBondContact OD1-N 3.4Å; D246-S248 PolarHBondContact OD1-OG 3.08Å; S248-N250 PolarHBondContact O-N 3.46Å; S248-R272 CarbonylContact C-O 3.37Å; S248-R272 WeakPolarHBondContact CA-O 3.44Å; S248-R272 WeakPolarHBondContact CB-O 3.29Å
249	G	95.3	Very high	93	Very high	28 Å²	28	36.3 Å²	36.3	29%	0.289	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	22.3	179.1	0	0	0	0	0	114.6	C223 R272	C223-G249 WeakPolarHBondContact CA-O 3.47Å; G249-R272 PolarHBondContact N-O 2.92Å
250	N	96.8	Very high	93.1	Very high	2 Å²	2	39 Å²	39	1%	0.011	22%	0.216	C	C	.	.			trans	-99.3	-179.9	172.1	-75.1	-63.2	0	0	0	110.8	L221 N224 A225 L226 L247 S248 I252 D273 N274	L221-N250 PolarHBondContact O-ND2 3.17Å; N224-N250 WeakPolarHBondContact CA-OD1 3.49Å; N224-N250 PolarHBondContact N-OD1 2.86Å; A225-N250 PolarHBondContact N-OD1 3.33Å; A225-N250 VanDerWaalsContact N-OD1 3.14Å; L226-N250 HydrophobicContact CB-CB 3.98Å; L226-N250 WeakPolarHBondContact CB-OD1 3.36Å; L226-N250 WeakPolarHBondContact CG-OD1 3.16Å; L226-N250 PolarHBondContact N-OD1 2.82Å; L247-N250 WeakPolarHBondContact O-CB 3.42Å; L247-N250 PolarHBondContact O-ND2 3.37Å; S248-N250 PolarHBondContact O-N 3.46Å; N250-I252 HydrophobicContact CB-CD1 4.48Å; N250-I252 HydrophobicContact CB-CG1 4.27Å; N250-D273 VanDerWaalsContact O-O 3.11Å; N250-N274 WeakPolarHBondContact CA-OD1 3.27Å; N250-N274 WeakPolarHBondContact CB-OD1 3.47Å; N250-N274 PolarHBondContact O-OD1 3.46Å; N250-N274 VanDerWaalsContact O-OD1 3.11Å
251	V	94.6	Very high	93.3	Very high	66 Å²	66	35.3 Å²	35.3	40%	0.4	19%	0.191	S	C	.	.			trans	-117.6	37	-176.2	-69.2	0	0	0	0	111.5	A225 L226 R227 T253	A225-V251 WeakPolarHBondContact O-CG2 3.14Å; L226-V251 CarbonylContact O-C 3.54Å; L226-V251 VanDerWaalsContact O-C 3.23Å; L226-V251 PolarHBondContact O-N 3.28Å; R227-V251 HydrophobicContact CB-CG2 3.95Å; V251-T253 PolarHBondContact O-N 3.49Å
252	I	93.5	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.			trans	-69.3	119.8	177.7	-55.8	171.2	0	0	0	107.8	L226 L229 L247 N250 E257 N274 P275 V276	L226-I252 WeakPolarHBondContact O-CG1 3.44Å; L226-I252 PolarHBondContact O-N 3.38Å; L226-I252 VanDerWaalsContact O-N 3.14Å; L229-I252 HydrophobicContact CD1-CD1 4.14Å; L229-I252 HydrophobicContact CD2-CD1 4.05Å; L229-I252 HydrophobicContact CG-CD1 4.36Å; L247-I252 HydrophobicContact CB-CD1 4.25Å; L247-I252 HydrophobicContact CD1-CD1 3.96Å; L247-I252 HydrophobicContact CG-CD1 4.49Å; N250-I252 HydrophobicContact CB-CD1 4.48Å; N250-I252 HydrophobicContact CB-CG1 4.27Å; I252-E257 HydrophobicContact CG2-CB 4.07Å; I252-N274 HydrophobicContact CB-CB 4.5Å; I252-N274 WeakPolarHBondContact CB-OD1 3.36Å; I252-N274 WeakPolarHBondContact CG1-OD1 3.45Å; I252-N274 PolarHBondContact N-OD1 2.93Å; I252-N274 VanDerWaalsContact N-OD1 3.13Å; I252-P275 CarbonylContact O-C 3.37Å; I252-P275 WeakPolarHBondContact O-CD 3.39Å; I252-V276 HydrophobicContact CG2-CB 4.3Å; I252-V276 WeakPolarHBondContact O-CA 3.15Å; I252-V276 WeakPolarHBondContact O-CB 3.31Å; I252-V276 PolarHBondContact O-N 3.42Å
253	T	88	Confident	93	Very high	49 Å²	49	36.9 Å²	36.9	30%	0.301	20%	0.203	S	C	.	.			trans	-103.4	-17.7	-176.3	57.4	0	0	0	0	114.2	V251 P275 S279	V251-T253 PolarHBondContact O-N 3.49Å; T253-P275 HydrophobicContact CG2-CB 4Å; T253-P275 HydrophobicContact CG2-CG 4.25Å; T253-S279 WeakPolarHBondContact O-CB 3.26Å
254	S	86.8	Confident	92.9	Very high	33 Å²	33	35 Å²	35	23%	0.231	19%	0.191	C	C	.	.			trans	-128.4	137.7	-174.3	-178.8	0	0	0	0	110.6	E256 E257	S254-E256 PolarHBondContact O-N 3.29Å; S254-E256 WeakPolarHBondContact OG-CB 3.39Å; S254-E256 PolarHBondContact OG-N 3.03Å; S254-E257 WeakPolarHBondContact O-CB 3.4Å; S254-E257 PolarHBondContact O-N 2.65Å
255	I	85.8	Confident	92.7	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.082	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	173.3	-163.5	160.8	0	0	0	112	E257 L258 V276 F280 R301 L302 I305	I255-E257 PolarHBondContact O-N 2.94Å; I255-L258 HydrophobicContact CG1-CD1 4.2Å; I255-L258 WeakPolarHBondContact O-CB 3.33Å; I255-L258 PolarHBondContact O-N 2.91Å; I255-V276 HydrophobicContact CB-CG2 4.13Å; I255-F280 HydrophobicContact CB-CZ 4.21Å; I255-F280 HydrophobicContact CD1-CE2 4.38Å; I255-F280 HydrophobicContact CD1-CZ 3.75Å; I255-F280 HydrophobicContact CG2-CZ 4.33Å; I255-R301 HydrophobicContact CD1-CB 3.5Å; I255-L302 HydrophobicContact CD1-CD2 4Å; I255-L302 HydrophobicContact CD1-CG 3.97Å; I255-L302 HydrophobicContact CG1-CD2 4.3Å; I255-I305 HydrophobicContact CG1-CD1 3.94Å
256	E	86	Confident	92.6	Very high	127 Å²	127	34.9 Å²	34.9	59%	0.593	20%	0.197	S	C	*	.	H	α-helix	trans	-61.7	-26.6	176.6	-60.4	176.1	169.9	0	0	112	S254 L258 E259	S254-E256 PolarHBondContact O-N 3.29Å; S254-E256 WeakPolarHBondContact OG-CB 3.39Å; S254-E256 PolarHBondContact OG-N 3.03Å; E256-L258 PolarHBondContact O-N 3.48Å; E256-E259 WeakPolarHBondContact O-CB 3.26Å; E256-E259 PolarHBondContact O-N 2.85Å
257	E	91.4	Very high	92.5	Very high	37 Å²	37	35.7 Å²	35.7	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-30.2	174.6	-71.2	-64	135.6	0	0	112	A228 L229 I252 S254 I255 E259 K260	A228-E257 WeakPolarHBondContact CA-OE2 3.1Å; L229-E257 HydrophobicContact CD1-CB 4.14Å; L229-E257 VanDerWaalsContact CD1-O 3.29Å; L229-E257 WeakPolarHBondContact CD1-O 3.42Å; L229-E257 HydrophobicContact CG-CB 4.29Å; L229-E257 PolarHBondContact N-OE2 3.39Å; I252-E257 HydrophobicContact CG2-CB 4.07Å; S254-E257 WeakPolarHBondContact O-CB 3.4Å; S254-E257 PolarHBondContact O-N 2.65Å; I255-E257 PolarHBondContact O-N 2.94Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 3.33Å; E257-K260 WeakPolarHBondContact O-CB 3.11Å; E257-K260 PolarHBondContact O-N 2.98Å; E257-K260 IonicContact OE1-NZ 2.7Å; E257-K260 PolarHBondContact OE1-NZ 3.37Å; E257-K260 WeakPolarHBondContact OE2-CE 3.47Å; E257-K260 IonicContact OE2-NZ 3.14Å; E257-K260 PolarHBondContact OE2-NZ 3.44Å
258	L	93.4	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.8	-24.4	177.4	-59.1	176.3	0	0	0	112.1	L229 L247 I255 E256 K260 L261 S262 L271 L302 I305 F306	L229-L258 HydrophobicContact CD1-CD2 3.72Å; L247-L258 HydrophobicContact CD1-CD2 3.93Å; I255-L258 HydrophobicContact CG1-CD1 4.2Å; I255-L258 WeakPolarHBondContact O-CB 3.33Å; I255-L258 PolarHBondContact O-N 2.91Å; E256-L258 PolarHBondContact O-N 3.48Å; L258-K260 PolarHBondContact O-N 2.94Å; L258-K260 VanDerWaalsContact O-N 3.17Å; L258-L261 PolarHBondContact O-N 2.87Å; L258-S262 PolarHBondContact O-N 3.02Å; L258-L271 HydrophobicContact CD1-CD1 3.83Å; L258-L271 HydrophobicContact CD1-CD2 4.31Å; L258-L271 HydrophobicContact CD2-CD2 4.11Å; L258-L302 HydrophobicContact CD1-CD2 3.41Å; L258-L302 VanDerWaalsContact CD1-CD2 3.41Å; L258-I305 HydrophobicContact CB-CD1 4.07Å; L258-F306 HydrophobicContact CB-CE2 4.17Å; L258-F306 HydrophobicContact CB-CZ 4.43Å
259	E	89.8	Confident	92.4	Very high	84 Å²	84	35.7 Å²	35.7	39%	0.393	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-27.7	175	-63	-174.9	175.2	0	0	111.5	E256 E257 L261 S262 R301 I305	E256-E259 WeakPolarHBondContact O-CB 3.26Å; E256-E259 PolarHBondContact O-N 2.85Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 3.33Å; E259-L261 PolarHBondContact O-N 3.41Å; E259-S262 WeakPolarHBondContact O-CB 3.21Å; E259-S262 PolarHBondContact O-N 2.92Å; E259-S262 VanDerWaalsContact O-N 3.17Å; E259-S262 PolarHBondContact O-OG 3.45Å; E259-R301 IonicContact OE1-CZ 3.71Å; E259-R301 IonicContact OE1-NH1 3.39Å; E259-R301 IonicContact OE1-NH2 3.83Å; E259-R301 PolarHBondContact OE1-NH2 3.5Å; E259-I305 HydrophobicContact CG-CD1 3.65Å; E259-I305 HydrophobicContact CG-CG1 3.93Å
260	K	91.5	Very high	92.4	Very high	63 Å²	63	35.4 Å²	35.4	27%	0.274	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.6	174.9	-59.5	177.4	-178.3	172.4	0	112.4	L229 D230 A233 L236 E257 L258	L229-K260 HydrophobicContact CB-CD 4.37Å; D230-K260 VanDerWaalsContact CG-NZ 3.3Å; D230-K260 IonicContact OD1-NZ 2.68Å; D230-K260 PolarHBondContact OD1-NZ 3.07Å; D230-K260 IonicContact OD2-NZ 3.82Å; D230-K260 PolarHBondContact OD2-NZ 2.89Å; A233-K260 HydrophobicContact CB-CB 4.44Å; L236-K260 VanDerWaalsContact CD1-O 3.31Å; L236-K260 WeakPolarHBondContact CD1-O 3.23Å; E257-K260 WeakPolarHBondContact O-CB 3.11Å; E257-K260 PolarHBondContact O-N 2.98Å; E257-K260 IonicContact OE1-NZ 2.7Å; E257-K260 PolarHBondContact OE1-NZ 3.37Å; E257-K260 WeakPolarHBondContact OE2-CE 3.47Å; E257-K260 IonicContact OE2-NZ 3.14Å; E257-K260 PolarHBondContact OE2-NZ 3.44Å; L258-K260 PolarHBondContact O-N 2.94Å; L258-K260 VanDerWaalsContact O-N 3.17Å
261	L	95.2	Very high	92.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	2.9	-179.9	-53.6	-177.3	0	0	0	113.3	L229 V232 A233 L236 L245 L247 L258 E259 S263 W264 F306	L229-L261 HydrophobicContact CB-CD1 4.5Å; L229-L261 HydrophobicContact CB-CG 4.42Å; L229-L261 HydrophobicContact CD1-CD1 3.69Å; L229-L261 HydrophobicContact CD1-CG 4.14Å; L229-L261 HydrophobicContact CD2-CD1 4.5Å; L229-L261 HydrophobicContact CG-CD1 4.45Å; V232-L261 HydrophobicContact CB-CD2 4.23Å; V232-L261 HydrophobicContact CG1-CD1 4.16Å; V232-L261 HydrophobicContact CG1-CD2 3.88Å; A233-L261 HydrophobicContact CB-CD2 4.13Å; L236-L261 HydrophobicContact CD2-CD2 4.45Å; L245-L261 HydrophobicContact CD2-CD1 3.88Å; L247-L261 HydrophobicContact CD1-CD1 4.36Å; L258-L261 PolarHBondContact O-N 2.87Å; E259-L261 PolarHBondContact O-N 3.41Å; L261-S263 PolarHBondContact O-N 3.01Å; L261-W264 HydrophobicContact CB-CE3 4.29Å; L261-W264 HydrophobicContact CD1-CZ3 4.24Å; L261-W264 HydrophobicContact CD2-CZ3 4.35Å; L261-W264 PolarHBondContact O-N 3.32Å; L261-F306 HydrophobicContact CB-CE1 4.36Å; L261-F306 HydrophobicContact CB-CZ 4.12Å; L261-F306 WeakPolarHBondContact O-CE1 3.19Å
262	S	91.4	Very high	92	Very high	47 Å²	47	37.6 Å²	37.6	33%	0.329	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-7.3	-179.2	60.8	0	0	0	0	116.2	K83 L258 E259	K83-S262 PolarHBondContact NZ-O 2.84Å; L258-S262 PolarHBondContact O-N 3.02Å; E259-S262 WeakPolarHBondContact O-CB 3.21Å; E259-S262 PolarHBondContact O-N 2.92Å; E259-S262 VanDerWaalsContact O-N 3.17Å; E259-S262 PolarHBondContact O-OG 3.45Å
263	S	88.6	Confident	91.8	Very high	49 Å²	49	43.5 Å²	43.5	34%	0.343	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.7	173.2	-64.4	0	0	0	0	113	L261	L261-S263 PolarHBondContact O-N 3.01Å
264	W	94.1	Very high	91.8	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.011	22%	0.216	C	C	.	.	S	Bend	trans	-76.4	140.4	170.8	-75.9	-30.7	0	0	0	111.9	I219 V232 L235 L236 A239 V242 L245 L261 L266	I219-W264 HydrophobicContact CD1-CH2 4.16Å; I219-W264 HydrophobicContact CD1-CZ2 4.16Å; V232-W264 HydrophobicContact CG1-CH2 4.28Å; V232-W264 HydrophobicContact CG1-CZ3 4.37Å; L235-W264 HydrophobicContact CB-CH2 4.32Å; L235-W264 HydrophobicContact CB-CZ2 4.05Å; L236-W264 HydrophobicContact CD2-CB 4.42Å; L236-W264 HydrophobicContact CD2-CD2 3.51Å; L236-W264 HydrophobicContact CD2-CE3 4.09Å; L236-W264 HydrophobicContact CD2-CG 3.62Å; L236-W264 HydrophobicContact CD2-CZ2 4.25Å; A239-W264 PolarHBondContact O-NE1 3.11Å; V242-W264 HydrophobicContact CB-CD2 4.11Å; V242-W264 HydrophobicContact CB-CG 4.27Å; V242-W264 HydrophobicContact CB-CZ2 4.21Å; V242-W264 HydrophobicContact CG1-CD2 4.18Å; V242-W264 HydrophobicContact CG1-CE3 4.4Å; V242-W264 HydrophobicContact CG1-CZ2 4.38Å; V242-W264 HydrophobicContact CG2-CZ2 4.12Å; L245-W264 HydrophobicContact CD1-CZ3 4.01Å; L245-W264 HydrophobicContact CD2-CE3 4.03Å; L245-W264 HydrophobicContact CD2-CZ3 3.76Å; L245-W264 HydrophobicContact CG-CZ3 4.45Å; L261-W264 HydrophobicContact CB-CE3 4.29Å; L261-W264 HydrophobicContact CD1-CZ3 4.24Å; L261-W264 HydrophobicContact CD2-CZ3 4.35Å; L261-W264 PolarHBondContact O-N 3.32Å; W264-L266 VanDerWaalsContact C-N 3.28Å; W264-L266 HydrophobicContact CB-CD2 3.85Å; W264-L266 HydrophobicContact CB-CG 3.91Å; W264-L266 HydrophobicContact CE3-CD2 4.3Å; W264-L266 HydrophobicContact CG-CD2 4.44Å; W264-L266 PolarHBondContact O-N 3.04Å
265	N	93.7	Very high	91.8	Very high	90 Å²	90	42.1 Å²	42.1	48%	0.481	22%	0.22	S	C	.	.			trans	-91.7	62.6	176.3	-76.9	-20.1	0	0	0	109.4	V267 L308	N265-V267 PolarHBondContact O-N 3.22Å; N265-L308 HydrophobicContact CB-CD1 3.92Å
266	L	97.2	Very high	91.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.			trans	-65.8	131.6	-174.8	-61.2	-177	0	0	0	111.4	V242 T243 L245 W264 L269 F306 L308 L309	V242-L266 HydrophobicContact CG1-CD2 4.12Å; T243-L266 CarbonylContact O-C 3.58Å; T243-L266 WeakPolarHBondContact O-CA 3.33Å; L245-L266 HydrophobicContact CB-CD1 3.96Å; L245-L266 HydrophobicContact CB-CD2 3.89Å; L245-L266 HydrophobicContact CD2-CD1 3.85Å; W264-L266 VanDerWaalsContact C-N 3.28Å; W264-L266 HydrophobicContact CB-CD2 3.85Å; W264-L266 HydrophobicContact CB-CG 3.91Å; W264-L266 HydrophobicContact CE3-CD2 4.3Å; W264-L266 HydrophobicContact CG-CD2 4.44Å; W264-L266 PolarHBondContact O-N 3.04Å; L266-L269 HydrophobicContact CD1-CD1 4.27Å; L266-F306 HydrophobicContact CB-CB 4.39Å; L266-F306 HydrophobicContact CB-CD1 4.01Å; L266-F306 HydrophobicContact CB-CG 4.19Å; L266-F306 HydrophobicContact CD1-CD1 3.86Å; L266-F306 HydrophobicContact CD1-CD2 4.37Å; L266-F306 HydrophobicContact CD1-CE1 3.58Å; L266-F306 HydrophobicContact CD1-CE2 4.13Å; L266-F306 HydrophobicContact CD1-CG 4.25Å; L266-F306 HydrophobicContact CD1-CZ 3.73Å; L266-F306 HydrophobicContact CG-CD1 3.93Å; L266-F306 HydrophobicContact CG-CE1 3.99Å; L266-F306 HydrophobicContact CG-CG 4.49Å; L266-L308 CarbonylContact O-C 3.51Å; L266-L309 VanDerWaalsContact O-CA 3.31Å; L266-L309 WeakPolarHBondContact O-CA 3.37Å; L266-L309 PolarHBondContact O-N 3.4Å; L266-L309 VanDerWaalsContact O-N 3.09Å
267	V	95.7	Very high	90.7	Very high	47 Å²	47	38.3 Å²	38.3	29%	0.285	20%	0.203	S	C	.	.	S	Bend	trans	-103.8	-29.9	171.7	-179.1	0	0	0	0	110.6	T243 N265 L308 K310 I311	T243-V267 PolarHBondContact O-N 3.34Å; N265-V267 PolarHBondContact O-N 3.22Å; V267-L308 WeakPolarHBondContact CA-O 3.48Å; V267-K310 HydrophobicContact CG1-CB 4.19Å; V267-K310 HydrophobicContact CG1-CD 4.27Å; V267-K310 HydrophobicContact CG1-CG 4.3Å; V267-K310 PolarHBondContact O-N 3.37Å; V267-I311 PolarHBondContact O-N 2.91Å
268	A	96	Very high	89.4	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.9	174.1	0	0	0	0	0	111.9	T243 R244 L245 I311	T243-A268 PolarHBondContact O-N 3.3Å; T243-A268 VanDerWaalsContact O-N 3.12Å; R244-A268 WeakPolarHBondContact CA-O 3.37Å; R244-A268 HydrophobicContact CB-CB 4.33Å; R244-A268 HydrophobicContact CG-CB 4.02Å; L245-A268 PolarHBondContact N-O 2.68Å; A268-I311 VanDerWaalsContact CA-O 3.31Å; A268-I311 WeakPolarHBondContact CA-O 3.36Å; A268-I311 HydrophobicContact CB-CB 3.91Å; A268-I311 HydrophobicContact CB-CD1 4.45Å; A268-I311 HydrophobicContact CB-CG2 4.37Å
269	L	96.3	Very high	87.6	Confident	2 Å²	2	45 Å²	45	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.8	178.4	177.1	62.3	0	0	0	110.2	L245 L247 L266 L271 L302 F306 L309 I311 L312 D313	L245-L269 HydrophobicContact CB-CD1 4.16Å; L245-L269 HydrophobicContact CD2-CD1 4.03Å; L245-L269 HydrophobicContact CG-CD1 4.13Å; L245-L269 CarbonylContact O-C 3.36Å; L245-L269 VanDerWaalsContact O-CA 3.3Å; L245-L269 WeakPolarHBondContact O-CA 3.25Å; L247-L269 HydrophobicContact CD1-CD1 4.21Å; L266-L269 HydrophobicContact CD1-CD1 4.27Å; L269-L271 HydrophobicContact CD1-CD2 4.37Å; L269-L271 HydrophobicContact CD1-CG 4.44Å; L269-L271 HydrophobicContact CD2-CD1 3.91Å; L269-L271 HydrophobicContact CD2-CD2 4.44Å; L269-L271 HydrophobicContact CD2-CG 4.04Å; L269-L271 HydrophobicContact CG-CD1 4.39Å; L269-L271 HydrophobicContact CG-CD2 4.45Å; L269-L271 HydrophobicContact CG-CG 4Å; L269-L302 HydrophobicContact CD2-CD2 4.31Å; L269-F306 HydrophobicContact CD2-CD2 4.16Å; L269-F306 HydrophobicContact CD2-CE2 3.97Å; L269-L309 HydrophobicContact CB-CD1 3.62Å; L269-I311 PolarHBondContact N-O 2.88Å; L269-L312 HydrophobicContact CB-CD1 3.96Å; L269-L312 HydrophobicContact CD2-CD1 4.08Å; L269-L312 HydrophobicContact CG-CD1 3.97Å; L269-L312 CarbonylContact O-C 3.56Å; L269-L312 VanDerWaalsContact O-CA 3.27Å; L269-L312 WeakPolarHBondContact O-CA 3.27Å; L269-L312 WeakPolarHBondContact O-CD1 3.46Å; L269-D313 PolarHBondContact O-N 2.98Å
270	S	94.7	Very high	86	Confident	22 Å²	22	42.3 Å²	42.3	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.3	168.1	-57.9	0	0	0	0	110.1	L245 D246 L247 D313	L245-S270 PolarHBondContact O-N 3.14Å; D246-S270 VanDerWaalsContact CG-CB 3.45Å; D246-S270 WeakPolarHBondContact OD1-CB 3.42Å; D246-S270 WeakPolarHBondContact OD2-CB 3.47Å; D246-S270 PolarHBondContact OD2-OG 3.37Å; L247-S270 CarbonylContact C-O 3.53Å; L247-S270 WeakPolarHBondContact CA-O 3.35Å; L247-S270 WeakPolarHBondContact CB-O 3.49Å; L247-S270 PolarHBondContact N-O 2.82Å; S270-D313 VanDerWaalsContact CA-OD1 3.3Å; S270-D313 WeakPolarHBondContact CA-OD1 3.49Å
271	L	92.8	Very high	83.8	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.243	C	C	.	.			trans	-119.8	9.1	173.9	-66.9	173.4	0	0	0	112.7	L247 L258 L269 D273 N274 V276 L302 L312 D313	L247-L271 HydrophobicContact CB-CD2 4.13Å; L247-L271 HydrophobicContact CD1-CD2 4.19Å; L258-L271 HydrophobicContact CD1-CD1 3.83Å; L258-L271 HydrophobicContact CD1-CD2 4.31Å; L258-L271 HydrophobicContact CD2-CD2 4.11Å; L269-L271 HydrophobicContact CD1-CD2 4.37Å; L269-L271 HydrophobicContact CD1-CG 4.44Å; L269-L271 HydrophobicContact CD2-CD1 3.91Å; L269-L271 HydrophobicContact CD2-CD2 4.44Å; L269-L271 HydrophobicContact CD2-CG 4.04Å; L269-L271 HydrophobicContact CG-CD1 4.39Å; L269-L271 HydrophobicContact CG-CD2 4.45Å; L269-L271 HydrophobicContact CG-CG 4Å; L271-D273 PolarHBondContact O-N 3.18Å; L271-N274 VanDerWaalsContact O-CB 3.32Å; L271-N274 WeakPolarHBondContact O-CB 3.49Å; L271-N274 PolarHBondContact O-N 2.9Å; L271-N274 VanDerWaalsContact O-N 3.17Å; L271-N274 PolarHBondContact O-ND2 3.35Å; L271-N274 VanDerWaalsContact O-ND2 3.13Å; L271-V276 HydrophobicContact CD1-CG1 4.29Å; L271-V276 HydrophobicContact CD2-CG1 4.49Å; L271-L302 HydrophobicContact CD1-CD1 4.26Å; L271-L302 HydrophobicContact CD1-CD2 4.11Å; L271-L312 HydrophobicContact CD1-CD1 4.2Å; L271-L312 HydrophobicContact CG-CD1 4.42Å; L271-D313 PolarHBondContact N-OD1 3.28Å
272	R	89.9	Confident	81.4	Confident	114 Å²	114	50.7 Å²	50.7	43%	0.43	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	142.2	174.2	-62.6	-172.2	-67.4	104.3	3.4	111.9	S248 G249 N274 D313	S248-R272 CarbonylContact C-O 3.37Å; S248-R272 WeakPolarHBondContact CA-O 3.44Å; S248-R272 WeakPolarHBondContact CB-O 3.29Å; G249-R272 PolarHBondContact N-O 2.92Å; R272-N274 PolarHBondContact O-N 2.79Å; R272-N274 VanDerWaalsContact O-N 3.14Å; R272-N274 PolarHBondContact O-ND2 2.88Å; R272-D313 HydrophobicContact CG-CB 3.79Å; R272-D313 VanDerWaalsContact CG-OD1 3.27Å; R272-D313 WeakPolarHBondContact CG-OD1 3.38Å; R272-D313 PolarHBondContact N-OD1 3.27Å
273	D	88.9	Confident	79.1	Confident	123 Å²	123	56.6 Å²	56.6	66%	0.658	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	23.5	177.2	-48.7	-52	0	0	0	114.7	N250 L271	N250-D273 VanDerWaalsContact O-O 3.11Å; L271-D273 PolarHBondContact O-N 3.18Å
274	N	89	Confident	77.1	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.037	31%	0.313	C	S	.	.			trans	-104	141.4	168.3	-75.5	-96.9	0	0	0	112.3	L247 N250 I252 L271 R272 V276 L277	L247-N274 PolarHBondContact O-ND2 2.85Å; N250-N274 WeakPolarHBondContact CA-OD1 3.27Å; N250-N274 WeakPolarHBondContact CB-OD1 3.47Å; N250-N274 PolarHBondContact O-OD1 3.46Å; N250-N274 VanDerWaalsContact O-OD1 3.11Å; I252-N274 HydrophobicContact CB-CB 4.5Å; I252-N274 WeakPolarHBondContact CB-OD1 3.36Å; I252-N274 WeakPolarHBondContact CG1-OD1 3.45Å; I252-N274 PolarHBondContact N-OD1 2.93Å; I252-N274 VanDerWaalsContact N-OD1 3.13Å; L271-N274 VanDerWaalsContact O-CB 3.32Å; L271-N274 WeakPolarHBondContact O-CB 3.49Å; L271-N274 PolarHBondContact O-N 2.9Å; L271-N274 VanDerWaalsContact O-N 3.17Å; L271-N274 PolarHBondContact O-ND2 3.35Å; L271-N274 VanDerWaalsContact O-ND2 3.13Å; R272-N274 PolarHBondContact O-N 2.79Å; R272-N274 VanDerWaalsContact O-N 3.14Å; R272-N274 PolarHBondContact O-ND2 2.88Å; N274-V276 HydrophobicContact CB-CG1 3.82Å; N274-V276 PolarHBondContact O-N 2.99Å; N274-V276 VanDerWaalsContact O-N 3.12Å; N274-L277 PolarHBondContact O-N 2.89Å
275	P	86.6	Confident	75	Confident	47 Å²	47	69 Å²	69	31%	0.305	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.2	-15.6	173.5	-22.4	31.9	0	0	0	115.3	I252 T253 L277 H278 S279	I252-P275 CarbonylContact O-C 3.37Å; I252-P275 WeakPolarHBondContact O-CD 3.39Å; T253-P275 HydrophobicContact CG2-CB 4Å; T253-P275 HydrophobicContact CG2-CG 4.25Å; P275-L277 PolarHBondContact O-N 3.42Å; P275-H278 CarbonylContact O-C 3.58Å; P275-H278 WeakPolarHBondContact O-CA 3.42Å; P275-H278 VanDerWaalsContact O-CB 3.3Å; P275-H278 WeakPolarHBondContact O-CB 3.4Å; P275-H278 PolarHBondContact O-N 2.92Å; P275-S279 PolarHBondContact O-N 3.24Å
276	V	80.7	Confident	72.7	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.018	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-58.2	-35.5	-179.7	66.7	0	0	0	0	111.6	I252 I255 L271 N274 H278 S279 F280	I252-V276 HydrophobicContact CG2-CB 4.3Å; I252-V276 WeakPolarHBondContact O-CA 3.15Å; I252-V276 WeakPolarHBondContact O-CB 3.31Å; I252-V276 PolarHBondContact O-N 3.42Å; I255-V276 HydrophobicContact CB-CG2 4.13Å; L271-V276 HydrophobicContact CD1-CG1 4.29Å; L271-V276 HydrophobicContact CD2-CG1 4.49Å; N274-V276 HydrophobicContact CB-CG1 3.82Å; N274-V276 PolarHBondContact O-N 2.99Å; N274-V276 VanDerWaalsContact O-N 3.12Å; V276-H278 PolarHBondContact O-N 3.19Å; V276-S279 WeakPolarHBondContact O-CB 3.46Å; V276-S279 PolarHBondContact O-N 3.19Å; V276-S279 VanDerWaalsContact O-N 3.16Å; V276-S279 PolarHBondContact O-OG 2.61Å; V276-F280 VanDerWaalsContact O-CD2 3.31Å; V276-F280 WeakPolarHBondContact O-CD2 3.25Å; V276-F280 WeakPolarHBondContact O-CE2 3.43Å
277	L	68.2	Low	70.3	Confident	59 Å²	59	73 Å²	73	31%	0.309	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-67.6	-28.1	174.9	-59.9	178.5	0	0	0	111.5	N274 P275	N274-L277 PolarHBondContact O-N 2.89Å; P275-L277 PolarHBondContact O-N 3.42Å
278	H	63.5	Low	68.2	Low	112 Å²	112	75.8 Å²	75.8	52%	0.519	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-20.8	173.5	-66.2	175.8	0	0	0	113.9	P275 V276 F280 K281	P275-H278 CarbonylContact O-C 3.58Å; P275-H278 WeakPolarHBondContact O-CA 3.42Å; P275-H278 VanDerWaalsContact O-CB 3.3Å; P275-H278 WeakPolarHBondContact O-CB 3.4Å; P275-H278 PolarHBondContact O-N 2.92Å; V276-H278 PolarHBondContact O-N 3.19Å; H278-F280 PolarHBondContact O-N 2.59Å; H278-K281 HydrophobicContact CB-CD 4.15Å; H278-K281 VanDerWaalsContact CD2-CE 3.47Å; H278-K281 WeakPolarHBondContact CD2-CE 3.45Å; H278-K281 PolarHBondContact CD2-NZ 3.49Å; H278-K281 PolarHBondContact NE2-NZ 3.44Å; H278-K281 VanDerWaalsContact O-CB 3.27Å; H278-K281 WeakPolarHBondContact O-CB 3.48Å; H278-K281 WeakPolarHBondContact O-CG 3.35Å; H278-K281 PolarHBondContact O-N 2.86Å
279	S	57.1	Low	65.9	Low	65 Å²	65	84.9 Å²	84.9	46%	0.455	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.8	-179.9	73.1	0	0	0	0	112.7	T253 P275 V276	T253-S279 WeakPolarHBondContact O-CB 3.26Å; P275-S279 PolarHBondContact O-N 3.24Å; V276-S279 WeakPolarHBondContact O-CB 3.46Å; V276-S279 PolarHBondContact O-N 3.19Å; V276-S279 VanDerWaalsContact O-N 3.16Å; V276-S279 PolarHBondContact O-OG 2.61Å
280	F	54.4	Low	63.7	Low	29 Å²	29	85.7 Å²	85.7	13%	0.127	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.9	175.3	-60.2	-78.4	0	0	0	114	I255 V276 H278 L282 I294 F297 A298	I255-F280 HydrophobicContact CB-CZ 4.21Å; I255-F280 HydrophobicContact CD1-CE2 4.38Å; I255-F280 HydrophobicContact CD1-CZ 3.75Å; I255-F280 HydrophobicContact CG2-CZ 4.33Å; V276-F280 VanDerWaalsContact O-CD2 3.31Å; V276-F280 WeakPolarHBondContact O-CD2 3.25Å; V276-F280 WeakPolarHBondContact O-CE2 3.43Å; H278-F280 PolarHBondContact O-N 2.59Å; F280-L282 PolarHBondContact O-N 2.57Å; F280-I294 HydrophobicContact CB-CB 4.18Å; F280-I294 HydrophobicContact CB-CG2 3.19Å; F280-I294 HydrophobicContact CG-CG2 4.38Å; F280-I294 WeakPolarHBondContact O-CD1 3.46Å; F280-I294 WeakPolarHBondContact O-CG1 3.34Å; F280-I294 WeakPolarHBondContact O-CG2 3.47Å; F280-F297 AromaticContact CD1-CD1 3.67Å; F280-F297 HydrophobicContact CD1-CD1 3.67Å; F280-F297 HydrophobicContact CD1-CE1 4.25Å; F280-F297 AromaticContact CE1-CD1 3.55Å; F280-F297 HydrophobicContact CE1-CD1 3.55Å; F280-F297 AromaticContact CE1-CE1 3.85Å; F280-F297 HydrophobicContact CE1-CE1 3.85Å; F280-A298 HydrophobicContact CD1-CB 4.06Å; F280-A298 HydrophobicContact CD2-CB 3.42Å; F280-A298 VanDerWaalsContact CD2-CB 3.42Å; F280-A298 HydrophobicContact CE1-CB 3.94Å; F280-A298 HydrophobicContact CE2-CB 3.28Å; F280-A298 HydrophobicContact CG-CB 3.82Å; F280-A298 HydrophobicContact CZ-CB 3.56Å
281	K	46.5	Very low	61.8	Low	134 Å²	134	87.9 Å²	87.9	58%	0.583	46%	0.464	S	S	*	.			trans	-59.9	97.6	175.9	-73.4	179.3	179	174	0	109.9	H278	H278-K281 HydrophobicContact CB-CD 4.15Å; H278-K281 VanDerWaalsContact CD2-CE 3.47Å; H278-K281 WeakPolarHBondContact CD2-CE 3.45Å; H278-K281 PolarHBondContact CD2-NZ 3.49Å; H278-K281 PolarHBondContact NE2-NZ 3.44Å; H278-K281 VanDerWaalsContact O-CB 3.27Å; H278-K281 WeakPolarHBondContact O-CB 3.48Å; H278-K281 WeakPolarHBondContact O-CG 3.35Å; H278-K281 PolarHBondContact O-N 2.86Å
282	L	44.2	Very low	60.2	Low	105 Å²	105	94.4 Å²	94.4	55%	0.55	49%	0.494	S	S	.	.			trans	-51.4	141.8	157.3	-77.3	159.9	0	0	0	107	F280 I294	F280-L282 PolarHBondContact O-N 2.57Å; L282-I294 HydrophobicContact CB-CD1 4.11Å; L282-I294 HydrophobicContact CD1-CD1 4.33Å; L282-I294 HydrophobicContact CD1-CG1 4.12Å; L282-I294 HydrophobicContact CG-CD1 4.37Å; L282-I294 HydrophobicContact CG-CG1 4.39Å
283	K	43.6	Very low	58.8	Low	171 Å²	171	94 Å²	94	74%	0.743	50%	0.5	S	S	*	.			trans	-43.1	134.7	176.9	-71.8	179.1	177.2	178.3	0	109	Q285	K283-Q285 PolarHBondContact O-N 3.07Å
284	P	46.5	Very low	57.4	Low	131 Å²	131	89 Å²	89	85%	0.851	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	9	-169.4	23.3	-33.2	0	0	0	115.5	L286	P284-L286 VanDerWaalsContact C-N 3.3Å
285	Q	50.1	Low	56.3	Low	180 Å²	180	93.5 Å²	93.5	84%	0.841	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.9	177.7	-70.8	-178.3	-9.4	0	0	113.8	K283	K283-Q285 PolarHBondContact O-N 3.07Å
286	L	45.9	Very low	55.4	Low	119 Å²	119	92.1 Å²	92.1	62%	0.623	49%	0.487	S	S	*	.	S	Bend	trans	-106.7	122.9	168.5	-88.9	76.1	0	0	0	108.4	P284 S290	P284-L286 VanDerWaalsContact C-N 3.3Å; L286-S290 PolarHBondContact O-OG 2.99Å
287	G	46.5	Very low	55	Low	56 Å²	56	97.8 Å²	97.8	58%	0.577	51%	0.511	S	S	*	.			trans	-61.5	-174.6	-174.8	0	0	0	0	0	115.2	Y289 S290	G287-Y289 PolarHBondContact O-N 3.07Å; G287-S290 PolarHBondContact O-N 3.19Å; G287-S290 PolarHBondContact O-OG 2.79Å
288	S	51.1	Low	55.2	Low	105 Å²	105	95.3 Å²	95.3	73%	0.734	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.4	-25	-167.8	-163.7	0	0	0	0	117.8	S290 C291	S288-S290 PolarHBondContact O-N 3.14Å; S288-C291 PolarHBondContact O-N 3.42Å
289	Y	46.9	Very low	55.8	Low	197 Å²	197	91.4 Å²	91.4	77%	0.773	48%	0.48	S	S	*	.	H	α-helix	trans	-60.3	-21.6	172.4	-66.4	-78	0	0	0	113.3	G287 C291	G287-Y289 PolarHBondContact O-N 3.07Å; Y289-C291 PolarHBondContact O-N 3.27Å
290	S	51	Low	56.8	Low	19 Å²	19	91.1 Å²	91.1	13%	0.133	48%	0.478	C	S	.	.	H	α-helix	trans	-63.2	-40.9	179.3	66.1	0	0	0	0	112.3	L286 G287 S288 Q292 L293 I294	L286-S290 PolarHBondContact O-OG 2.99Å; G287-S290 PolarHBondContact O-N 3.19Å; G287-S290 PolarHBondContact O-OG 2.79Å; S288-S290 PolarHBondContact O-N 3.14Å; S290-Q292 VanDerWaalsContact C-N 3.35Å; S290-Q292 PolarHBondContact O-N 3.08Å; S290-L293 PolarHBondContact O-N 3.41Å; S290-I294 VanDerWaalsContact O-CB 3.22Å; S290-I294 WeakPolarHBondContact O-CB 3.41Å; S290-I294 VanDerWaalsContact O-CD1 3.24Å; S290-I294 WeakPolarHBondContact O-CD1 3.4Å; S290-I294 WeakPolarHBondContact O-CG1 3.48Å; S290-I294 PolarHBondContact O-N 2.7Å
291	C	53.7	Low	58.1	Low	69 Å²	69	91.7 Å²	91.7	47%	0.466	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-40.8	-171.8	-65	0	0	0	0	112.4	S288 Y289 I294 E295	S288-C291 PolarHBondContact O-N 3.42Å; Y289-C291 PolarHBondContact O-N 3.27Å; C291-I294 WeakPolarHBondContact O-CB 3.28Å; C291-I294 PolarHBondContact O-N 2.82Å; C291-E295 VanDerWaalsContact O-CB 3.32Å; C291-E295 WeakPolarHBondContact O-CB 3.43Å; C291-E295 WeakPolarHBondContact O-CG 3.3Å; C291-E295 PolarHBondContact O-N 3.18Å
292	Q	60	Low	60	Low	138 Å²	138	85.5 Å²	85.5	65%	0.645	45%	0.453	S	S	*	.	H	α-helix	trans	-68.1	-42	179.6	-69.1	177.8	-1.2	0	0	112.4	S290 A296	S290-Q292 VanDerWaalsContact C-N 3.35Å; S290-Q292 PolarHBondContact O-N 3.08Å; Q292-A296 VanDerWaalsContact O-CB 3.28Å; Q292-A296 WeakPolarHBondContact O-CB 3.32Å; Q292-A296 PolarHBondContact O-N 2.86Å
293	L	59.8	Low	62	Low	106 Å²	106	82.5 Å²	82.5	56%	0.555	44%	0.438	S	S	*	.	H	α-helix	trans	-68.6	-36.3	177.6	-69.1	175.5	0	0	0	112.2	S290 A296 F297	S290-L293 PolarHBondContact O-N 3.41Å; L293-A296 PolarHBondContact O-N 3.17Å; L293-F297 WeakPolarHBondContact O-CB 3.34Å; L293-F297 PolarHBondContact O-N 3.28Å
294	I	60.4	Low	63.9	Low	18 Å²	18	78.3 Å²	78.3	9%	0.092	42%	0.421	C	S	.	.	H	α-helix	trans	-61.8	-52.4	175.1	-77.1	169.2	0	0	0	110.2	F280 L282 S290 C291 F297 A298	F280-I294 HydrophobicContact CB-CB 4.18Å; F280-I294 HydrophobicContact CB-CG2 3.19Å; F280-I294 HydrophobicContact CG-CG2 4.38Å; F280-I294 WeakPolarHBondContact O-CD1 3.46Å; F280-I294 WeakPolarHBondContact O-CG1 3.34Å; F280-I294 WeakPolarHBondContact O-CG2 3.47Å; L282-I294 HydrophobicContact CB-CD1 4.11Å; L282-I294 HydrophobicContact CD1-CD1 4.33Å; L282-I294 HydrophobicContact CD1-CG1 4.12Å; L282-I294 HydrophobicContact CG-CD1 4.37Å; L282-I294 HydrophobicContact CG-CG1 4.39Å; S290-I294 VanDerWaalsContact O-CB 3.22Å; S290-I294 WeakPolarHBondContact O-CB 3.41Å; S290-I294 VanDerWaalsContact O-CD1 3.24Å; S290-I294 WeakPolarHBondContact O-CD1 3.4Å; S290-I294 WeakPolarHBondContact O-CG1 3.48Å; S290-I294 PolarHBondContact O-N 2.7Å; C291-I294 WeakPolarHBondContact O-CB 3.28Å; C291-I294 PolarHBondContact O-N 2.82Å; I294-F297 PolarHBondContact O-N 3.03Å; I294-A298 WeakPolarHBondContact O-CB 3.17Å; I294-A298 PolarHBondContact O-N 3.1Å
295	E	65.7	Low	65.9	Low	100 Å²	100	72.6 Å²	72.6	47%	0.467	38%	0.383	S	S	.	.	H	α-helix	trans	-56.6	-51.4	174.8	-83.1	177.7	-160.4	0	0	109.7	C291 F297 A298 F299	C291-E295 VanDerWaalsContact O-CB 3.32Å; C291-E295 WeakPolarHBondContact O-CB 3.43Å; C291-E295 WeakPolarHBondContact O-CG 3.3Å; C291-E295 PolarHBondContact O-N 3.18Å; E295-F297 VanDerWaalsContact C-N 3.29Å; E295-F297 PolarHBondContact O-N 3.13Å; E295-A298 WeakPolarHBondContact O-CB 3.43Å; E295-A298 PolarHBondContact O-N 3.13Å; E295-A298 VanDerWaalsContact O-N 3.09Å; E295-F299 HydrophobicContact CB-CD2 4.05Å; E295-F299 HydrophobicContact CB-CE2 3.71Å; E295-F299 HydrophobicContact CG-CE2 4.32Å; E295-F299 WeakPolarHBondContact O-CB 3.47Å; E295-F299 WeakPolarHBondContact O-CD2 3.07Å; E295-F299 VanDerWaalsContact O-CG 3.3Å; E295-F299 WeakPolarHBondContact O-CG 3.29Å; E295-F299 PolarHBondContact O-N 3.04Å
296	A	68.3	Low	68	Low	19 Å²	19	64 Å²	64	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-54.9	-41.7	177.7	0	0	0	0	0	113	Q292 L293 F299 S300 F322	Q292-A296 VanDerWaalsContact O-CB 3.28Å; Q292-A296 WeakPolarHBondContact O-CB 3.32Å; Q292-A296 PolarHBondContact O-N 2.86Å; L293-A296 PolarHBondContact O-N 3.17Å; A296-F299 PolarHBondContact O-N 3.33Å; A296-S300 WeakPolarHBondContact O-CB 3.44Å; A296-S300 PolarHBondContact O-N 3.03Å; A296-F322 HydrophobicContact CB-CB 3.88Å; A296-F322 HydrophobicContact CB-CD1 4.12Å; A296-F322 HydrophobicContact CB-CG 4.39Å
297	F	71.1	Confident	70	Confident	122 Å²	122	63 Å²	63	54%	0.535	34%	0.343	S	S	.	.	H	α-helix	trans	-68.8	-43.3	176.7	-176.2	-93	0	0	0	112.2	F280 L293 I294 E295 F299 S300 R301	F280-F297 AromaticContact CD1-CD1 3.67Å; F280-F297 HydrophobicContact CD1-CD1 3.67Å; F280-F297 HydrophobicContact CD1-CE1 4.25Å; F280-F297 AromaticContact CE1-CD1 3.55Å; F280-F297 HydrophobicContact CE1-CD1 3.55Å; F280-F297 AromaticContact CE1-CE1 3.85Å; F280-F297 HydrophobicContact CE1-CE1 3.85Å; L293-F297 WeakPolarHBondContact O-CB 3.34Å; L293-F297 PolarHBondContact O-N 3.28Å; I294-F297 PolarHBondContact O-N 3.03Å; E295-F297 VanDerWaalsContact C-N 3.29Å; E295-F297 PolarHBondContact O-N 3.13Å; F297-F299 VanDerWaalsContact C-N 3.3Å; F297-F299 PolarHBondContact O-N 3.5Å; F297-S300 PolarHBondContact O-N 2.98Å; F297-R301 HydrophobicContact CD1-CG 4.3Å; F297-R301 HydrophobicContact CE1-CG 3.86Å; F297-R301 HydrophobicContact CZ-CG 4.06Å; F297-R301 WeakPolarHBondContact O-CG 3.43Å; F297-R301 PolarHBondContact O-N 3.49Å
298	A	73.3	Confident	72.2	Confident	6 Å²	6	64.8 Å²	64.8	5%	0.05	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-45.4	174	0	0	0	0	0	111.1	F280 I294 E295 R301 L302	F280-A298 HydrophobicContact CD1-CB 4.06Å; F280-A298 HydrophobicContact CD2-CB 3.42Å; F280-A298 VanDerWaalsContact CD2-CB 3.42Å; F280-A298 HydrophobicContact CE1-CB 3.94Å; F280-A298 HydrophobicContact CE2-CB 3.28Å; F280-A298 HydrophobicContact CG-CB 3.82Å; F280-A298 HydrophobicContact CZ-CB 3.56Å; I294-A298 WeakPolarHBondContact O-CB 3.17Å; I294-A298 PolarHBondContact O-N 3.1Å; E295-A298 WeakPolarHBondContact O-CB 3.43Å; E295-A298 PolarHBondContact O-N 3.13Å; E295-A298 VanDerWaalsContact O-N 3.09Å; A298-R301 PolarHBondContact O-N 3.47Å; A298-L302 VanDerWaalsContact O-CG 3.31Å; A298-L302 WeakPolarHBondContact O-CG 3.23Å; A298-L302 PolarHBondContact O-N 2.87Å
299	F	76	Confident	74.1	Confident	30 Å²	30	60.2 Å²	60.2	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-46.8	176.7	-72.7	-61	0	0	0	112.1	E295 A296 F297 R301 L302 L303 L312 I317 F322	E295-F299 HydrophobicContact CB-CD2 4.05Å; E295-F299 HydrophobicContact CB-CE2 3.71Å; E295-F299 HydrophobicContact CG-CE2 4.32Å; E295-F299 WeakPolarHBondContact O-CB 3.47Å; E295-F299 WeakPolarHBondContact O-CD2 3.07Å; E295-F299 VanDerWaalsContact O-CG 3.3Å; E295-F299 WeakPolarHBondContact O-CG 3.29Å; E295-F299 PolarHBondContact O-N 3.04Å; A296-F299 PolarHBondContact O-N 3.33Å; F297-F299 VanDerWaalsContact C-N 3.3Å; F297-F299 PolarHBondContact O-N 3.5Å; F299-R301 VanDerWaalsContact C-N 3.27Å; F299-R301 PolarHBondContact O-N 2.89Å; F299-L302 HydrophobicContact CD1-CD1 4.44Å; F299-L302 WeakPolarHBondContact O-CB 3.28Å; F299-L302 PolarHBondContact O-N 3.43Å; F299-L303 WeakPolarHBondContact O-CG 3.46Å; F299-L303 PolarHBondContact O-N 3.42Å; F299-L312 HydrophobicContact CD1-CD2 3.92Å; F299-L312 HydrophobicContact CE1-CB 4.11Å; F299-L312 HydrophobicContact CE1-CD2 3.19Å; F299-L312 HydrophobicContact CE1-CG 4.22Å; F299-L312 HydrophobicContact CZ-CD2 3.96Å; F299-I317 HydrophobicContact CD1-CD1 3.95Å; F299-I317 HydrophobicContact CE1-CD1 3.84Å; F299-I317 HydrophobicContact CE1-CG1 4.34Å; F299-F322 AromaticContact CD2-CD1 3.72Å; F299-F322 HydrophobicContact CD2-CD1 3.72Å; F299-F322 HydrophobicContact CD2-CD2 4.13Å; F299-F322 AromaticContact CD2-CE1 3.36Å; F299-F322 HydrophobicContact CD2-CE1 3.36Å; F299-F322 AromaticContact CD2-CE2 3.81Å; F299-F322 HydrophobicContact CD2-CE2 3.81Å; F299-F322 HydrophobicContact CD2-CG 4.09Å; F299-F322 AromaticContact CD2-CZ 3.41Å; F299-F322 HydrophobicContact CD2-CZ 3.41Å; F299-F322 VanDerWaalsContact CD2-CZ 3.41Å; F299-F322 HydrophobicContact CE1-CZ 4.41Å; F299-F322 HydrophobicContact CE2-CD1 4.09Å; F299-F322 AromaticContact CE2-CE1 3.26Å; F299-F322 HydrophobicContact CE2-CE1 3.26Å; F299-F322 AromaticContact CE2-CE2 3.98Å; F299-F322 HydrophobicContact CE2-CE2 3.98Å; F299-F322 AromaticContact CE2-CZ 3.19Å; F299-F322 HydrophobicContact CE2-CZ 3.19Å; F299-F322 HydrophobicContact CG-CD2 4.45Å; F299-F322 HydrophobicContact CG-CE1 4.47Å; F299-F322 HydrophobicContact CG-CE2 4.21Å; F299-F322 HydrophobicContact CG-CZ 4.22Å; F299-F322 HydrophobicContact CZ-CE1 4.25Å; F299-F322 HydrophobicContact CZ-CE2 4.43Å; F299-F322 AromaticContact CZ-CZ 3.77Å; F299-F322 HydrophobicContact CZ-CZ 3.77Å
300	S	77.9	Confident	76.2	Confident	59 Å²	59	57.2 Å²	57.2	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-56.5	-44.7	175.6	175.5	0	0	0	0	110.9	A296 F297 L302 L303 E304	A296-S300 WeakPolarHBondContact O-CB 3.44Å; A296-S300 PolarHBondContact O-N 3.03Å; F297-S300 PolarHBondContact O-N 2.98Å; S300-L302 PolarHBondContact O-N 3.42Å; S300-L303 PolarHBondContact O-N 3.17Å; S300-E304 WeakPolarHBondContact O-CG 3.39Å; S300-E304 PolarHBondContact O-N 2.92Å; S300-E304 VanDerWaalsContact O-N 3.11Å
301	R	81.3	Confident	78.1	Confident	41 Å²	41	58.2 Å²	58.2	16%	0.155	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-36.5	174.8	-72.3	-70.7	-70.9	140	3.5	113	I255 E259 F297 A298 F299 E304 I305	I255-R301 HydrophobicContact CD1-CB 3.5Å; E259-R301 IonicContact OE1-CZ 3.71Å; E259-R301 IonicContact OE1-NH1 3.39Å; E259-R301 IonicContact OE1-NH2 3.83Å; E259-R301 PolarHBondContact OE1-NH2 3.5Å; F297-R301 HydrophobicContact CD1-CG 4.3Å; F297-R301 HydrophobicContact CE1-CG 3.86Å; F297-R301 HydrophobicContact CZ-CG 4.06Å; F297-R301 WeakPolarHBondContact O-CG 3.43Å; F297-R301 PolarHBondContact O-N 3.49Å; A298-R301 PolarHBondContact O-N 3.47Å; F299-R301 VanDerWaalsContact C-N 3.27Å; F299-R301 PolarHBondContact O-N 2.89Å; R301-E304 WeakPolarHBondContact CD-OE2 3.46Å; R301-E304 IonicContact CZ-OE2 2.68Å; R301-E304 IonicContact NE-OE2 2.8Å; R301-E304 IonicContact NH1-OE2 2.79Å; R301-E304 PolarHBondContact NH1-OE2 3.28Å; R301-E304 WeakPolarHBondContact O-CB 3.38Å; R301-E304 PolarHBondContact O-N 3.01Å; R301-I305 WeakPolarHBondContact O-CG1 3.45Å; R301-I305 PolarHBondContact O-N 3.29Å
302	L	87.2	Confident	79.8	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-40.4	174.6	-74.3	171.8	0	0	0	111.9	I255 L258 L269 L271 A298 F299 S300 E304 I305 F306 L309 L312	I255-L302 HydrophobicContact CD1-CD2 4Å; I255-L302 HydrophobicContact CD1-CG 3.97Å; I255-L302 HydrophobicContact CG1-CD2 4.3Å; L258-L302 HydrophobicContact CD1-CD2 3.41Å; L258-L302 VanDerWaalsContact CD1-CD2 3.41Å; L269-L302 HydrophobicContact CD2-CD2 4.31Å; L271-L302 HydrophobicContact CD1-CD1 4.26Å; L271-L302 HydrophobicContact CD1-CD2 4.11Å; A298-L302 VanDerWaalsContact O-CG 3.31Å; A298-L302 WeakPolarHBondContact O-CG 3.23Å; A298-L302 PolarHBondContact O-N 2.87Å; F299-L302 HydrophobicContact CD1-CD1 4.44Å; F299-L302 WeakPolarHBondContact O-CB 3.28Å; F299-L302 PolarHBondContact O-N 3.43Å; S300-L302 PolarHBondContact O-N 3.42Å; L302-E304 VanDerWaalsContact C-N 3.28Å; L302-E304 PolarHBondContact O-N 3.42Å; L302-I305 PolarHBondContact O-N 3.14Å; L302-I305 VanDerWaalsContact O-N 3.09Å; L302-F306 PolarHBondContact O-N 3.05Å; L302-L309 HydrophobicContact CB-CD2 4.34Å; L302-L312 HydrophobicContact CD1-CD1 4.11Å; L302-L312 HydrophobicContact CD1-CD2 3.91Å
303	L	86	Confident	81.2	Confident	43 Å²	43	50.7 Å²	50.7	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-29.1	177	-69.8	174.5	0	0	0	112.4	F299 S300 I305 F306 P307 L309 T319	F299-L303 WeakPolarHBondContact O-CG 3.46Å; F299-L303 PolarHBondContact O-N 3.42Å; S300-L303 PolarHBondContact O-N 3.17Å; L303-I305 VanDerWaalsContact C-N 3.31Å; L303-F306 CarbonylContact O-C 3.56Å; L303-P307 WeakPolarHBondContact O-CA 3.39Å; L303-L309 HydrophobicContact CD2-CB 4.26Å; L303-T319 HydrophobicContact CD1-CG2 3.84Å
304	E	83.8	Confident	82.5	Confident	83 Å²	83	48.9 Å²	48.9	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-35	170.2	-70.2	171.1	-168.7	0	0	112.3	S300 R301 L302 R508	S300-E304 WeakPolarHBondContact O-CG 3.39Å; S300-E304 PolarHBondContact O-N 2.92Å; S300-E304 VanDerWaalsContact O-N 3.11Å; R301-E304 WeakPolarHBondContact CD-OE2 3.46Å; R301-E304 IonicContact CZ-OE2 2.68Å; R301-E304 IonicContact NE-OE2 2.8Å; R301-E304 IonicContact NH1-OE2 2.79Å; R301-E304 PolarHBondContact NH1-OE2 3.28Å; R301-E304 WeakPolarHBondContact O-CB 3.38Å; R301-E304 PolarHBondContact O-N 3.01Å; L302-E304 VanDerWaalsContact C-N 3.28Å; L302-E304 PolarHBondContact O-N 3.42Å; E304-R508 IonicContact OE1-CZ 2.74Å; E304-R508 IonicContact OE1-NH2 2.77Å; E304-R508 PolarHBondContact OE1-NH2 3.47Å; E304-R508 IonicContact OE2-CZ 3.28Å; E304-R508 IonicContact OE2-NH1 3.43Å; E304-R508 IonicContact OE2-NH2 2.98Å; E304-R508 PolarHBondContact OE2-NH2 3.23Å
305	I	89	Confident	83.6	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-81.2	-43.3	179.8	-60.3	173.8	0	0	0	111	I255 L258 E259 R301 L302 L303	I255-I305 HydrophobicContact CG1-CD1 3.94Å; L258-I305 HydrophobicContact CB-CD1 4.07Å; E259-I305 HydrophobicContact CG-CD1 3.65Å; E259-I305 HydrophobicContact CG-CG1 3.93Å; R301-I305 WeakPolarHBondContact O-CG1 3.45Å; R301-I305 PolarHBondContact O-N 3.29Å; L302-I305 PolarHBondContact O-N 3.14Å; L302-I305 VanDerWaalsContact O-N 3.09Å; L303-I305 VanDerWaalsContact C-N 3.31Å
306	F	92.2	Very high	84.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.			trans	-125.9	81.3	-177.7	-53.6	-63.8	0	0	0	110.1	L258 L261 L266 L269 L302 L303 L308 L309	L258-F306 HydrophobicContact CB-CE2 4.17Å; L258-F306 HydrophobicContact CB-CZ 4.43Å; L261-F306 HydrophobicContact CB-CE1 4.36Å; L261-F306 HydrophobicContact CB-CZ 4.12Å; L261-F306 WeakPolarHBondContact O-CE1 3.19Å; L266-F306 HydrophobicContact CB-CB 4.39Å; L266-F306 HydrophobicContact CB-CD1 4.01Å; L266-F306 HydrophobicContact CB-CG 4.19Å; L266-F306 HydrophobicContact CD1-CD1 3.86Å; L266-F306 HydrophobicContact CD1-CD2 4.37Å; L266-F306 HydrophobicContact CD1-CE1 3.58Å; L266-F306 HydrophobicContact CD1-CE2 4.13Å; L266-F306 HydrophobicContact CD1-CG 4.25Å; L266-F306 HydrophobicContact CD1-CZ 3.73Å; L266-F306 HydrophobicContact CG-CD1 3.93Å; L266-F306 HydrophobicContact CG-CE1 3.99Å; L266-F306 HydrophobicContact CG-CG 4.49Å; L269-F306 HydrophobicContact CD2-CD2 4.16Å; L269-F306 HydrophobicContact CD2-CE2 3.97Å; L302-F306 PolarHBondContact O-N 3.05Å; L303-F306 CarbonylContact O-C 3.56Å; F306-L308 PolarHBondContact O-N 3.31Å; F306-L309 HydrophobicContact CB-CB 3.99Å; F306-L309 WeakPolarHBondContact O-CB 3.09Å; F306-L309 PolarHBondContact O-N 3.22Å
307	P	89.4	Confident	84.9	Confident	97 Å²	97	59.4 Å²	59.4	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.5	-174.3	-25.1	35.2	0	0	0	115.4	L303	L303-P307 WeakPolarHBondContact O-CA 3.39Å
308	L	92.1	Very high	84.8	Confident	93 Å²	93	55.9 Å²	55.9	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4	-179.9	-59.9	178.8	0	0	0	113	N265 L266 V267 F306 K310	N265-L308 HydrophobicContact CB-CD1 3.92Å; L266-L308 CarbonylContact O-C 3.51Å; V267-L308 WeakPolarHBondContact CA-O 3.48Å; F306-L308 PolarHBondContact O-N 3.31Å; L308-K310 PolarHBondContact O-N 3.38Å
309	L	92	Very high	84.3	Confident	9 Å²	9	60 Å²	60	5%	0.047	33%	0.326	C	S	.	.			trans	-67.4	123.9	-177.4	-172.9	70.7	0	0	0	110.4	L266 L269 L302 L303 F306 I311 L312	L266-L309 VanDerWaalsContact O-CA 3.31Å; L266-L309 WeakPolarHBondContact O-CA 3.37Å; L266-L309 PolarHBondContact O-N 3.4Å; L266-L309 VanDerWaalsContact O-N 3.09Å; L269-L309 HydrophobicContact CB-CD1 3.62Å; L302-L309 HydrophobicContact CB-CD2 4.34Å; L303-L309 HydrophobicContact CD2-CB 4.26Å; F306-L309 HydrophobicContact CB-CB 3.99Å; F306-L309 WeakPolarHBondContact O-CB 3.09Å; F306-L309 PolarHBondContact O-N 3.22Å; L309-I311 WeakPolarHBondContact CD1-O 3.36Å; L309-L312 HydrophobicContact CD2-CD1 4.38Å
310	K	89.7	Confident	83.5	Confident	135 Å²	135	66.2 Å²	66.2	59%	0.587	36%	0.355	S	S	*	.			trans	-119.5	-24	178.7	-64.7	-176.5	-179.3	-175.2	0	113	V267 L308 E316 I317	V267-K310 HydrophobicContact CG1-CB 4.19Å; V267-K310 HydrophobicContact CG1-CD 4.27Å; V267-K310 HydrophobicContact CG1-CG 4.3Å; V267-K310 PolarHBondContact O-N 3.37Å; L308-K310 PolarHBondContact O-N 3.38Å; K310-E316 CarbonylContact O-C 3.56Å; K310-E316 WeakPolarHBondContact O-CA 3.48Å; K310-I317 PolarHBondContact O-N 3.43Å
311	I	92.2	Very high	82.4	Confident	39 Å²	39	67.7 Å²	67.7	20%	0.2	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.8	-176.1	-56.6	171.6	0	0	0	108.6	V267 A268 L269 L309 K315 E316	V267-I311 PolarHBondContact O-N 2.91Å; A268-I311 VanDerWaalsContact CA-O 3.31Å; A268-I311 WeakPolarHBondContact CA-O 3.36Å; A268-I311 HydrophobicContact CB-CB 3.91Å; A268-I311 HydrophobicContact CB-CD1 4.45Å; A268-I311 HydrophobicContact CB-CG2 4.37Å; L269-I311 PolarHBondContact N-O 2.88Å; L309-I311 WeakPolarHBondContact CD1-O 3.36Å; I311-K315 CarbonylContact C-O 3.58Å; I311-K315 VanDerWaalsContact CA-O 3.3Å; I311-K315 WeakPolarHBondContact CA-O 3.26Å; I311-E316 HydrophobicContact CG1-CG 4.43Å
312	L	89.3	Confident	81.2	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.9	167.9	-170.5	80.2	0	0	0	110	L269 L271 F299 L302 L309 G314 K315 I317	L269-L312 HydrophobicContact CB-CD1 3.96Å; L269-L312 HydrophobicContact CD2-CD1 4.08Å; L269-L312 HydrophobicContact CG-CD1 3.97Å; L269-L312 CarbonylContact O-C 3.56Å; L269-L312 VanDerWaalsContact O-CA 3.27Å; L269-L312 WeakPolarHBondContact O-CA 3.27Å; L269-L312 WeakPolarHBondContact O-CD1 3.46Å; L271-L312 HydrophobicContact CD1-CD1 4.2Å; L271-L312 HydrophobicContact CG-CD1 4.42Å; F299-L312 HydrophobicContact CD1-CD2 3.92Å; F299-L312 HydrophobicContact CE1-CB 4.11Å; F299-L312 HydrophobicContact CE1-CD2 3.19Å; F299-L312 HydrophobicContact CE1-CG 4.22Å; F299-L312 HydrophobicContact CZ-CD2 3.96Å; L302-L312 HydrophobicContact CD1-CD1 4.11Å; L302-L312 HydrophobicContact CD1-CD2 3.91Å; L309-L312 HydrophobicContact CD2-CD1 4.38Å; L312-G314 PolarHBondContact O-N 2.72Å; L312-G314 VanDerWaalsContact O-N 3.1Å; L312-K315 PolarHBondContact N-O 3.23Å; L312-K315 PolarHBondContact O-N 3.39Å; L312-I317 HydrophobicContact CB-CD1 3.29Å; L312-I317 HydrophobicContact CB-CG1 4.14Å
313	D	88.8	Confident	79.6	Confident	41 Å²	41	73.4 Å²	73.4	22%	0.219	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	34.6	177.8	-63.9	-34.9	0	0	0	113	L269 S270 L271 R272 K315	L269-D313 PolarHBondContact O-N 2.98Å; S270-D313 VanDerWaalsContact CA-OD1 3.3Å; S270-D313 WeakPolarHBondContact CA-OD1 3.49Å; L271-D313 PolarHBondContact N-OD1 3.28Å; R272-D313 HydrophobicContact CG-CB 3.79Å; R272-D313 VanDerWaalsContact CG-OD1 3.27Å; R272-D313 WeakPolarHBondContact CG-OD1 3.38Å; R272-D313 PolarHBondContact N-OD1 3.27Å; D313-K315 VanDerWaalsContact C-N 3.28Å; D313-K315 PolarHBondContact O-N 2.88Å
314	G	86.1	Confident	77.9	Confident	68 Å²	68	74.2 Å²	74.2	70%	0.701	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-1	-178.5	0	0	0	0	0	115.3	L312	L312-G314 PolarHBondContact O-N 2.72Å; L312-G314 VanDerWaalsContact O-N 3.1Å
315	K	84.7	Confident	76.3	Confident	160 Å²	160	80.1 Å²	80.1	70%	0.696	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.8	177	-63.1	-179.6	-179.8	177.1	0	110.7	I311 L312 D313	I311-K315 CarbonylContact C-O 3.58Å; I311-K315 VanDerWaalsContact CA-O 3.3Å; I311-K315 WeakPolarHBondContact CA-O 3.26Å; L312-K315 PolarHBondContact N-O 3.23Å; L312-K315 PolarHBondContact O-N 3.39Å; D313-K315 VanDerWaalsContact C-N 3.28Å; D313-K315 PolarHBondContact O-N 2.88Å
316	E	84.8	Confident	74.4	Confident	173 Å²	173	87 Å²	87	81%	0.808	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.5	169.1	-70.6	-172.7	171.5	0	0	110.1	K310 I311	K310-E316 CarbonylContact O-C 3.56Å; K310-E316 WeakPolarHBondContact O-CA 3.48Å; I311-E316 HydrophobicContact CG1-CG 4.43Å
317	I	75.5	Confident	72.5	Confident	25 Å²	25	90 Å²	90	13%	0.128	49%	0.488	C	S	.	.			trans	-114.2	123.4	178.9	-54.8	166.7	0	0	0	106.9	F299 K310 L312 F322	F299-I317 HydrophobicContact CD1-CD1 3.95Å; F299-I317 HydrophobicContact CE1-CD1 3.84Å; F299-I317 HydrophobicContact CE1-CG1 4.34Å; K310-I317 PolarHBondContact O-N 3.43Å; L312-I317 HydrophobicContact CB-CD1 3.29Å; L312-I317 HydrophobicContact CB-CG1 4.14Å; I317-F322 HydrophobicContact CG2-CD2 4Å; I317-F322 HydrophobicContact CG2-CE2 3.57Å
318	S	68.8	Low	70.9	Confident	48 Å²	48	90.4 Å²	90.4	34%	0.336	49%	0.494	S	S	.	.			trans	-102.6	141.8	159.2	75.3	0	0	0	0	109.1	E320 T321	S318-E320 PolarHBondContact O-N 3.47Å; S318-E320 VanDerWaalsContact O-N 3.14Å; S318-T321 VanDerWaalsContact O-CB 3.32Å; S318-T321 WeakPolarHBondContact O-CB 3.41Å; S318-T321 PolarHBondContact O-N 3.3Å; S318-T321 PolarHBondContact O-OG1 2.79Å; S318-T321 PolarHBondContact OG-N 3.1Å; S318-T321 PolarHBondContact OG-OG1 2.95Å
319	T	62.6	Low	69.6	Low	94 Å²	94	93.5 Å²	93.5	58%	0.577	51%	0.51	S	S	*	.	H	α-helix	trans	-54.6	-28.7	170.1	40.9	0	0	0	0	111.8	L303 L323	L303-T319 HydrophobicContact CD1-CG2 3.84Å; T319-L323 PolarHBondContact O-N 3.05Å
320	E	60.3	Low	68.5	Low	159 Å²	159	96.2 Å²	96.2	74%	0.743	53%	0.53	S	S	*	.	H	α-helix	trans	-68.8	-29.8	175.8	-60.5	176.9	179.7	0	0	113	S318 F322	S318-E320 PolarHBondContact O-N 3.47Å; S318-E320 VanDerWaalsContact O-N 3.14Å; E320-F322 PolarHBondContact O-N 2.86Å
321	T	54.4	Low	68.1	Low	91 Å²	91	93.2 Å²	93.2	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-62.2	-29.7	-178	-57.7	0	0	0	0	111.9	S318	S318-T321 VanDerWaalsContact O-CB 3.32Å; S318-T321 WeakPolarHBondContact O-CB 3.41Å; S318-T321 PolarHBondContact O-N 3.3Å; S318-T321 PolarHBondContact O-OG1 2.79Å; S318-T321 PolarHBondContact OG-N 3.1Å; S318-T321 PolarHBondContact OG-OG1 2.95Å
322	F	55.4	Low	67.8	Low	51 Å²	51	98.1 Å²	98.1	22%	0.224	54%	0.539	C	S	.	.	H	α-helix	trans	-113.1	-13.3	-170	-63.8	-75.4	0	0	0	114.6	A296 F299 I317 E320 P324	A296-F322 HydrophobicContact CB-CB 3.88Å; A296-F322 HydrophobicContact CB-CD1 4.12Å; A296-F322 HydrophobicContact CB-CG 4.39Å; F299-F322 AromaticContact CD2-CD1 3.72Å; F299-F322 HydrophobicContact CD2-CD1 3.72Å; F299-F322 HydrophobicContact CD2-CD2 4.13Å; F299-F322 AromaticContact CD2-CE1 3.36Å; F299-F322 HydrophobicContact CD2-CE1 3.36Å; F299-F322 AromaticContact CD2-CE2 3.81Å; F299-F322 HydrophobicContact CD2-CE2 3.81Å; F299-F322 HydrophobicContact CD2-CG 4.09Å; F299-F322 AromaticContact CD2-CZ 3.41Å; F299-F322 HydrophobicContact CD2-CZ 3.41Å; F299-F322 VanDerWaalsContact CD2-CZ 3.41Å; F299-F322 HydrophobicContact CE1-CZ 4.41Å; F299-F322 HydrophobicContact CE2-CD1 4.09Å; F299-F322 AromaticContact CE2-CE1 3.26Å; F299-F322 HydrophobicContact CE2-CE1 3.26Å; F299-F322 AromaticContact CE2-CE2 3.98Å; F299-F322 HydrophobicContact CE2-CE2 3.98Å; F299-F322 AromaticContact CE2-CZ 3.19Å; F299-F322 HydrophobicContact CE2-CZ 3.19Å; F299-F322 HydrophobicContact CG-CD2 4.45Å; F299-F322 HydrophobicContact CG-CE1 4.47Å; F299-F322 HydrophobicContact CG-CE2 4.21Å; F299-F322 HydrophobicContact CG-CZ 4.22Å; F299-F322 HydrophobicContact CZ-CE1 4.25Å; F299-F322 HydrophobicContact CZ-CE2 4.43Å; F299-F322 AromaticContact CZ-CZ 3.77Å; F299-F322 HydrophobicContact CZ-CZ 3.77Å; I317-F322 HydrophobicContact CG2-CD2 4Å; I317-F322 HydrophobicContact CG2-CE2 3.57Å; E320-F322 PolarHBondContact O-N 2.86Å; F322-P324 WeakPolarHBondContact O-CD 3.43Å; F322-P324 VanDerWaalsContact O-N 3.13Å
323	L	55	Low	67.7	Low	113 Å²	113	98.4 Å²	98.4	59%	0.592	54%	0.544	S	S	*	.	S	Bend	trans	-66.6	114.1	165.9	-72.3	175.8	0	0	0	106	T319	T319-L323 PolarHBondContact O-N 3.05Å
324	P	48.9	Very low	67.9	Low	61 Å²	61	99.1 Å²	99.1	40%	0.396	55%	0.552	S	S	.	*			trans	-52.1	149.3	179.3	22.1	-33.7	0	0	0	109.4	F322 F326	F322-P324 WeakPolarHBondContact O-CD 3.43Å; F322-P324 VanDerWaalsContact O-N 3.13Å; P324-F326 HydrophobicContact CB-CD2 3.42Å; P324-F326 VanDerWaalsContact CB-CD2 3.42Å; P324-F326 HydrophobicContact CB-CE2 3.78Å; P324-F326 HydrophobicContact CB-CG 4.38Å; P324-F326 HydrophobicContact CG-CD2 3.52Å; P324-F326 HydrophobicContact CG-CE2 4.14Å; P324-F326 CarbonylContact O-C 3.55Å; P324-F326 WeakPolarHBondContact O-CA 3.43Å; P324-F326 PolarHBondContact O-N 3.01Å
325	Q	50.2	Low	68.2	Low	206 Å²	206	102.6 Å²	102.6	96%	0.963	55%	0.545	S	S	*	.	S	Bend	trans	-54	0	178.2	-75.8	179	5.7	0	0	115.1	G327	Q325-G327 PolarHBondContact O-N 2.91Å
326	F	50.3	Low	68.3	Low	156 Å²	156	96.4 Å²	96.4	68%	0.684	52%	0.52	S	S	*	.	S	Bend	trans	-58.9	90.5	155.7	-49.8	-59.9	0	0	0	106.8	P324 S328	P324-F326 HydrophobicContact CB-CD2 3.42Å; P324-F326 VanDerWaalsContact CB-CD2 3.42Å; P324-F326 HydrophobicContact CB-CE2 3.78Å; P324-F326 HydrophobicContact CB-CG 4.38Å; P324-F326 HydrophobicContact CG-CD2 3.52Å; P324-F326 HydrophobicContact CG-CE2 4.14Å; P324-F326 CarbonylContact O-C 3.55Å; P324-F326 WeakPolarHBondContact O-CA 3.43Å; P324-F326 PolarHBondContact O-N 3.01Å; F326-S328 PolarHBondContact O-N 3.4Å
327	G	51.4	Low	68.4	Low	62 Å²	62	91.6 Å²	91.6	64%	0.639	50%	0.502	S	S	*	.			trans	-39.6	133.6	176.9	0	0	0	0	0	109.7	Q325 L329	Q325-G327 PolarHBondContact O-N 2.91Å; G327-L329 PolarHBondContact O-N 3.47Å
328	S	55.7	Low	68.8	Low	107 Å²	107	93 Å²	93	75%	0.748	51%	0.511	S	S	*	.			trans	-31.6	103.6	-169.7	-173.3	0	0	0	0	111.9	F326 S330	F326-S328 PolarHBondContact O-N 3.4Å; S328-S330 PolarHBondContact O-N 3.29Å
329	L	65.2	Low	69.6	Low	157 Å²	157	95.9 Å²	95.9	82%	0.822	52%	0.518	S	S	*	.			trans	-65.6	103.9	177.3	-72.8	174.2	0	0	0	107	G327 M331	G327-L329 PolarHBondContact O-N 3.47Å; L329-M331 PolarHBondContact O-N 3.23Å
330	S	70.2	Confident	70.8	Confident	67 Å²	67	94.6 Å²	94.6	47%	0.469	51%	0.512	S	S	.	.			trans	-69.2	125.7	173.5	67.2	0	0	0	0	108.2	S328 K332	S328-S330 PolarHBondContact O-N 3.29Å; S330-K332 PolarHBondContact O-N 3.46Å
331	M	80.3	Confident	72.1	Confident	71 Å²	71	87 Å²	87	35%	0.35	48%	0.476	S	S	.	.			trans	-53.4	137.6	167.1	-164.2	173	83.4	0	0	108.8	L329 C516 L517 L520	L329-M331 PolarHBondContact O-N 3.23Å; M331-C516 HydrophobicContact CE-CB 3.38Å; M331-C516 WeakPolarHBondContact CE-O 3.48Å; M331-C516 HydrophobicContact SD-CB 3.56Å; M331-C516 VanDerWaalsContact SD-CB 3.56Å; M331-L517 HydrophobicContact CE-CD2 3.83Å; M331-L517 HydrophobicContact CE-CG 4.2Å; M331-L520 HydrophobicContact CB-CD1 4.18Å; M331-L520 HydrophobicContact CB-CD2 4.49Å; M331-L520 HydrophobicContact CE-CD1 3.19Å; M331-L520 HydrophobicContact CE-CG 3.68Å; M331-L520 HydrophobicContact CG-CD1 4.02Å; M331-L520 WeakPolarHBondContact O-CD2 3.32Å; M331-L520 HydrophobicContact SD-CD1 4.46Å
332	K	85	Confident	73.8	Confident	142 Å²	142	87.2 Å²	87.2	62%	0.617	47%	0.47	S	S	*	.			trans	-106.9	150.4	170	-63.8	-62.3	-175.4	-178.7	0	108.6	S330	S330-K332 PolarHBondContact O-N 3.46Å
333	G	88.3	Confident	75.5	Confident	14 Å²	14	88 Å²	88	14%	0.144	48%	0.478	C	S	.	.			trans	-77.6	-163.4	171.5	0	0	0	0	0	111.2	Y524	G333-Y524 PolarHBondContact N-OH 3Å
334	S	92.3	Very high	77.2	Confident	56 Å²	56	83.9 Å²	83.9	39%	0.392	46%	0.461	S	S	.	.			trans	-46.6	135.9	171.5	-59.8	0	0	0	0	113.1	V449	S334-V449 CarbonylContact C-O 3.56Å; S334-V449 VanDerWaalsContact CA-O 3.26Å; S334-V449 WeakPolarHBondContact CA-O 3.44Å; S334-V449 WeakPolarHBondContact CB-O 3.43Å; S334-V449 PolarHBondContact OG-N 2.8Å
335	Y	92.3	Very high	79.3	Confident	142 Å²	142	81.1 Å²	81.1	56%	0.557	44%	0.443	S	S	*	.			trans	-103.1	118.8	172.8	178.5	-102.7	0	0	0	112	V337 V449 D450 L451	Y335-V337 HydrophobicContact CE1-CG2 4.44Å; Y335-V449 PolarHBondContact N-O 3.41Å; Y335-V449 VanDerWaalsContact N-O 3.09Å; Y335-D450 PolarHBondContact N-OD1 3.38Å; Y335-D450 WeakPolarHBondContact O-CA 3.31Å; Y335-L451 PolarHBondContact O-N 3.45Å
336	V	88	Confident	81.3	Confident	30 Å²	30	73.2 Å²	73.2	18%	0.182	41%	0.412	C	S	.	.			trans	-135.3	139.9	170.8	-171.6	0	0	0	0	108.9	N338 I341 K342 L451	V336-N338 PolarHBondContact O-N 3.17Å; V336-I341 HydrophobicContact CG1-CB 4.1Å; V336-I341 HydrophobicContact CG1-CG2 3.76Å; V336-K342 HydrophobicContact CB-CB 3.99Å; V336-K342 HydrophobicContact CG1-CB 3.85Å; V336-K342 HydrophobicContact CG2-CB 4.28Å; V336-K342 HydrophobicContact CG2-CG 4.41Å; V336-L451 HydrophobicContact CG1-CD2 4.3Å
337	V	85.6	Confident	83.4	Confident	71 Å²	71	70 Å²	70	43%	0.43	40%	0.402	S	S	.	.	S	Bend	trans	-62.3	-38.5	-170.6	175.8	0	0	0	0	113.1	Y335 L451 L454	Y335-V337 HydrophobicContact CE1-CG2 4.44Å; V337-L451 HydrophobicContact CG2-CD2 4.02Å; V337-L454 HydrophobicContact CB-CD2 4.22Å; V337-L454 HydrophobicContact CG1-CD2 4.31Å; V337-L454 HydrophobicContact CG2-CD2 4.21Å
338	N	84	Confident	85.5	Confident	56 Å²	56	68.1 Å²	68.1	30%	0.299	38%	0.376	S	S	.	.	S	Bend	trans	-151.2	164.5	179.8	65.4	44.4	0	0	0	112	V336 P340 I341 K342	V336-N338 PolarHBondContact O-N 3.17Å; N338-P340 WeakPolarHBondContact OD1-CD 3.35Å; N338-I341 WeakPolarHBondContact OD1-CB 3.17Å; N338-I341 WeakPolarHBondContact OD1-CG1 3.42Å; N338-I341 PolarHBondContact OD1-N 3.31Å; N338-K342 WeakPolarHBondContact O-CB 3.43Å; N338-K342 PolarHBondContact O-N 3.32Å
339	E	87.3	Confident	87.5	Confident	107 Å²	107	63.5 Å²	63.5	50%	0.5	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-42	-176.5	-164.5	63	-151.1	0	0	113.6	I341 K342 V343	E339-I341 PolarHBondContact O-N 2.95Å; E339-K342 WeakPolarHBondContact O-CB 3.27Å; E339-K342 PolarHBondContact O-N 3.2Å; E339-K342 IonicContact OE1-NZ 2.64Å; E339-K342 PolarHBondContact OE1-NZ 3.37Å; E339-K342 IonicContact OE2-NZ 3.92Å; E339-K342 PolarHBondContact OE2-NZ 2.92Å; E339-V343 HydrophobicContact CG-CG2 4.45Å; E339-V343 WeakPolarHBondContact O-CG2 3.09Å; E339-V343 PolarHBondContact O-N 2.87Å
340	P	87.6	Confident	88.9	Confident	67 Å²	67	61.6 Å²	61.6	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-44.4	176.5	-28.8	37.3	0	0	0	114.1	N338 V343 A344 P546	N338-P340 WeakPolarHBondContact OD1-CD 3.35Å; P340-V343 PolarHBondContact O-N 2.7Å; P340-A344 WeakPolarHBondContact O-CB 3.42Å; P340-A344 PolarHBondContact O-N 3.43Å; P340-P546 HydrophobicContact CB-CB 3.68Å
341	I	86.4	Confident	90.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.3	-40.4	176.1	-66.4	172.4	0	0	0	110.3	V336 N338 E339 V343 A344 I345 L451 L454 P546 F547	V336-I341 HydrophobicContact CG1-CB 4.1Å; V336-I341 HydrophobicContact CG1-CG2 3.76Å; N338-I341 WeakPolarHBondContact OD1-CB 3.17Å; N338-I341 WeakPolarHBondContact OD1-CG1 3.42Å; N338-I341 PolarHBondContact OD1-N 3.31Å; E339-I341 PolarHBondContact O-N 2.95Å; I341-V343 VanDerWaalsContact C-N 3.33Å; I341-V343 PolarHBondContact O-N 3.08Å; I341-A344 PolarHBondContact O-N 3.04Å; I341-I345 HydrophobicContact CG2-CD1 3.55Å; I341-I345 HydrophobicContact CG2-CG1 4.05Å; I341-I345 WeakPolarHBondContact O-CB 3.47Å; I341-I345 WeakPolarHBondContact O-CG1 3.24Å; I341-I345 PolarHBondContact O-N 3.02Å; I341-L451 HydrophobicContact CG2-CD2 3.97Å; I341-L454 HydrophobicContact CD1-CD1 3.95Å; I341-L454 HydrophobicContact CD1-CD2 3.34Å; I341-L454 HydrophobicContact CD1-CG 4.3Å; I341-P546 VanDerWaalsContact CD1-O 3.32Å; I341-P546 WeakPolarHBondContact CD1-O 3.46Å; I341-P546 HydrophobicContact CG1-CB 3.99Å; I341-P546 VanDerWaalsContact CG1-O 3.24Å; I341-P546 WeakPolarHBondContact CG1-O 3.41Å; I341-F547 HydrophobicContact CD1-CD1 4.47Å; I341-F547 HydrophobicContact CD1-CE1 4.49Å; I341-F547 HydrophobicContact CG1-CD2 4.38Å; I341-F547 HydrophobicContact CG1-CE1 4.48Å; I341-F547 HydrophobicContact CG1-CE2 4.19Å; I341-F547 HydrophobicContact CG1-CZ 4.23Å; I341-F547 HydrophobicContact CG2-CE1 4.45Å; I341-F547 HydrophobicContact CG2-CZ 4.08Å
342	K	90	Very high	91	Very high	96 Å²	96	60 Å²	60	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-45.8	176.4	176.4	174.4	155.1	-125.4	0	111.6	V336 N338 E339 A346	V336-K342 HydrophobicContact CB-CB 3.99Å; V336-K342 HydrophobicContact CG1-CB 3.85Å; V336-K342 HydrophobicContact CG2-CB 4.28Å; V336-K342 HydrophobicContact CG2-CG 4.41Å; N338-K342 WeakPolarHBondContact O-CB 3.43Å; N338-K342 PolarHBondContact O-N 3.32Å; E339-K342 WeakPolarHBondContact O-CB 3.27Å; E339-K342 PolarHBondContact O-N 3.2Å; E339-K342 IonicContact OE1-NZ 2.64Å; E339-K342 PolarHBondContact OE1-NZ 3.37Å; E339-K342 IonicContact OE2-NZ 3.92Å; E339-K342 PolarHBondContact OE2-NZ 2.92Å; K342-A346 WeakPolarHBondContact O-CB 3.03Å; K342-A346 PolarHBondContact O-N 3.29Å
343	V	91.2	Very high	91.6	Very high	67 Å²	67	53.5 Å²	53.5	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-45	175.7	173.8	0	0	0	0	110.9	E339 P340 I341 A346 N347	E339-V343 HydrophobicContact CG-CG2 4.45Å; E339-V343 WeakPolarHBondContact O-CG2 3.09Å; E339-V343 PolarHBondContact O-N 2.87Å; P340-V343 PolarHBondContact O-N 2.7Å; I341-V343 VanDerWaalsContact C-N 3.33Å; I341-V343 PolarHBondContact O-N 3.08Å; V343-A346 PolarHBondContact O-N 3.48Å; V343-N347 WeakPolarHBondContact O-CB 3.48Å; V343-N347 PolarHBondContact O-N 3.14Å; V343-N347 PolarHBondContact O-ND2 2.99Å
344	A	91.5	Very high	92	Very high	27 Å²	27	56.5 Å²	56.5	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-48.8	178.9	0	0	0	0	0	112.4	P340 I341 F348 L493	P340-A344 WeakPolarHBondContact O-CB 3.42Å; P340-A344 PolarHBondContact O-N 3.43Å; I341-A344 PolarHBondContact O-N 3.04Å; A344-F348 WeakPolarHBondContact O-CB 3.22Å; A344-F348 PolarHBondContact O-N 3.05Å; A344-L493 HydrophobicContact CB-CD1 4.31Å
345	I	92.5	Very high	92.2	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-44.5	177.6	-66.7	176	0	0	0	110.4	I341 N347 F348 L349 V449 L451 L493	I341-I345 HydrophobicContact CG2-CD1 3.55Å; I341-I345 HydrophobicContact CG2-CG1 4.05Å; I341-I345 WeakPolarHBondContact O-CB 3.47Å; I341-I345 WeakPolarHBondContact O-CG1 3.24Å; I341-I345 PolarHBondContact O-N 3.02Å; I345-N347 PolarHBondContact O-N 3.39Å; I345-F348 PolarHBondContact O-N 2.69Å; I345-L349 HydrophobicContact CG2-CD1 3.8Å; I345-L349 HydrophobicContact CG2-CG 4.1Å; I345-L349 WeakPolarHBondContact O-CB 3.32Å; I345-L349 VanDerWaalsContact O-CG 3.27Å; I345-L349 WeakPolarHBondContact O-CG 3.28Å; I345-L349 PolarHBondContact O-N 3.14Å; I345-V449 HydrophobicContact CG2-CG1 4.04Å; I345-L451 HydrophobicContact CD1-CD1 4.16Å; I345-L493 HydrophobicContact CG1-CD1 4.26Å
346	A	93.3	Very high	92.5	Very high	39 Å²	39	48.2 Å²	48.2	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-46.2	179.7	0	0	0	0	0	111.9	K342 V343 L349 Q350	K342-A346 WeakPolarHBondContact O-CB 3.03Å; K342-A346 PolarHBondContact O-N 3.29Å; V343-A346 PolarHBondContact O-N 3.48Å; A346-L349 PolarHBondContact O-N 3.17Å; A346-Q350 WeakPolarHBondContact O-CB 3.18Å; A346-Q350 VanDerWaalsContact O-CG 3.27Å; A346-Q350 WeakPolarHBondContact O-CG 3.47Å; A346-Q350 PolarHBondContact O-N 3.37Å
347	N	94.3	Very high	92.9	Very high	89 Å²	89	47.6 Å²	47.6	48%	0.476	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-45.3	177.1	-70.4	-14.6	0	0	0	111.3	V343 I345 L349 Q350 E351	V343-N347 WeakPolarHBondContact O-CB 3.48Å; V343-N347 PolarHBondContact O-N 3.14Å; V343-N347 PolarHBondContact O-ND2 2.99Å; I345-N347 PolarHBondContact O-N 3.39Å; N347-L349 PolarHBondContact O-N 2.93Å; N347-Q350 PolarHBondContact O-N 3.4Å; N347-E351 PolarHBondContact O-N 3.33Å
348	F	95.7	Very high	93.2	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.096	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-48.4	175.7	169.3	-97.2	0	0	0	111.9	A344 I345 E351 Y352 A369 L484 L486 L493 I495	A344-F348 WeakPolarHBondContact O-CB 3.22Å; A344-F348 PolarHBondContact O-N 3.05Å; I345-F348 PolarHBondContact O-N 2.69Å; F348-E351 PolarHBondContact O-N 3.21Å; F348-Y352 HydrophobicContact CZ-CD2 4.23Å; F348-Y352 WeakPolarHBondContact O-CB 3.34Å; F348-Y352 PolarHBondContact O-N 2.78Å; F348-A369 HydrophobicContact CE2-CB 4.28Å; F348-L484 HydrophobicContact CE1-CD1 4.23Å; F348-L486 HydrophobicContact CE1-CD2 3.98Å; F348-L486 HydrophobicContact CZ-CD2 4.09Å; F348-L493 HydrophobicContact CB-CB 4.46Å; F348-L493 HydrophobicContact CB-CD1 3.85Å; F348-L493 HydrophobicContact CD2-CB 3.81Å; F348-L493 HydrophobicContact CE2-CB 4.24Å; F348-L493 WeakPolarHBondContact CE2-O 3.36Å; F348-L493 HydrophobicContact CG-CB 4.1Å; F348-L493 HydrophobicContact CG-CD1 4.17Å; F348-I495 HydrophobicContact CZ-CD1 3.85Å; F348-I495 HydrophobicContact CZ-CG1 3.78Å
349	L	96.4	Very high	93.6	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-39.9	-179.8	-66.7	-179.8	0	0	0	111.8	I345 A346 N347 Y352 Y353 V449 I463 L484	I345-L349 HydrophobicContact CG2-CD1 3.8Å; I345-L349 HydrophobicContact CG2-CG 4.1Å; I345-L349 WeakPolarHBondContact O-CB 3.32Å; I345-L349 VanDerWaalsContact O-CG 3.27Å; I345-L349 WeakPolarHBondContact O-CG 3.28Å; I345-L349 PolarHBondContact O-N 3.14Å; A346-L349 PolarHBondContact O-N 3.17Å; N347-L349 PolarHBondContact O-N 2.93Å; L349-Y352 PolarHBondContact O-N 3.47Å; L349-Y353 HydrophobicContact CB-CD2 4.39Å; L349-Y353 HydrophobicContact CD2-CE2 4.14Å; L349-Y353 WeakPolarHBondContact O-CB 3.42Å; L349-Y353 VanDerWaalsContact O-CD2 3.25Å; L349-Y353 WeakPolarHBondContact O-CD2 3.43Å; L349-Y353 PolarHBondContact O-N 3.34Å; L349-V449 HydrophobicContact CD1-CG1 4.1Å; L349-V449 HydrophobicContact CD1-CG2 3.84Å; L349-I463 HydrophobicContact CD1-CD1 4.1Å; L349-I463 HydrophobicContact CD1-CG1 4.28Å; L349-I463 HydrophobicContact CD2-CD1 3.56Å; L349-L484 HydrophobicContact CD2-CD1 4.42Å
350	Q	96.1	Very high	93.9	Very high	118 Å²	118	44 Å²	44	55%	0.551	25%	0.246	S	C	*	.	H	α-helix	trans	-60.5	-47.9	175.3	-76	176.7	3.7	0	0	111.5	A346 N347 S354	A346-Q350 WeakPolarHBondContact O-CB 3.18Å; A346-Q350 VanDerWaalsContact O-CG 3.27Å; A346-Q350 WeakPolarHBondContact O-CG 3.47Å; A346-Q350 PolarHBondContact O-N 3.37Å; N347-Q350 PolarHBondContact O-N 3.4Å; Q350-S354 VanDerWaalsContact O-CB 3.26Å; Q350-S354 WeakPolarHBondContact O-CB 3.43Å; Q350-S354 PolarHBondContact O-N 3.31Å
351	E	95.4	Very high	94.1	Very high	98 Å²	98	48.1 Å²	48.1	46%	0.458	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-49.5	176.5	-172.5	-178.6	167.2	0	0	110.8	N347 F348 Y353 S354 V355 K368	N347-E351 PolarHBondContact O-N 3.33Å; F348-E351 PolarHBondContact O-N 3.21Å; E351-Y353 PolarHBondContact O-N 3.32Å; E351-S354 PolarHBondContact O-N 2.87Å; E351-S354 PolarHBondContact O-OG 3.06Å; E351-V355 PolarHBondContact O-N 3.45Å; E351-K368 WeakPolarHBondContact OE1-CE 3.32Å; E351-K368 IonicContact OE1-NZ 3.67Å; E351-K368 PolarHBondContact OE1-NZ 2.9Å
352	Y	97.7	Very high	94.5	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-55	-53.6	-179.9	-178.5	-77.8	0	0	0	111.5	F348 L349 S354 V355 F356 L366 A369 Y370 R482 I495	F348-Y352 HydrophobicContact CZ-CD2 4.23Å; F348-Y352 WeakPolarHBondContact O-CB 3.34Å; F348-Y352 PolarHBondContact O-N 2.78Å; L349-Y352 PolarHBondContact O-N 3.47Å; Y352-S354 PolarHBondContact O-N 2.94Å; Y352-V355 PolarHBondContact O-N 2.87Å; Y352-F356 HydrophobicContact CD1-CB 4.3Å; Y352-F356 HydrophobicContact CE1-CB 3.9Å; Y352-F356 AromaticContact CE1-CD2 3.59Å; Y352-F356 HydrophobicContact CE1-CD2 3.59Å; Y352-F356 HydrophobicContact CE1-CE2 4.41Å; Y352-F356 HydrophobicContact CE1-CG 4.01Å; Y352-F356 AromaticContact CZ-CD2 3.86Å; Y352-F356 WeakPolarHBondContact O-CB 3.42Å; Y352-F356 PolarHBondContact O-N 2.71Å; Y352-F356 WeakPolarHBondContact OH-CD2 3.14Å; Y352-L366 HydrophobicContact CD2-CD2 3.8Å; Y352-L366 HydrophobicContact CE2-CD1 4.37Å; Y352-L366 HydrophobicContact CE2-CD2 3.8Å; Y352-L366 HydrophobicContact CG-CD2 4.18Å; Y352-A369 HydrophobicContact CD2-CB 4.22Å; Y352-Y370 AromaticContact CE2-CE2 4Å; Y352-Y370 HydrophobicContact CE2-CE2 4Å; Y352-Y370 PolarHBondContact OH-OH 3.28Å; Y352-Y370 VanDerWaalsContact OH-OH 3.08Å; Y352-R482 PolarHBondContact OH-NH1 2.94Å; Y352-R482 PolarHBondContact OH-NH2 3.32Å; Y352-I495 HydrophobicContact CD2-CD1 4.18Å; Y352-I495 HydrophobicContact CE2-CD1 3.84Å
353	Y	97.7	Very high	94.8	Very high	5 Å²	5	47 Å²	47	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-74.2	-25.6	-176.4	-76.1	-74.4	0	0	0	112.8	L349 E351 V355 F356 D357 H442 F447	L349-Y353 HydrophobicContact CB-CD2 4.39Å; L349-Y353 HydrophobicContact CD2-CE2 4.14Å; L349-Y353 WeakPolarHBondContact O-CB 3.42Å; L349-Y353 VanDerWaalsContact O-CD2 3.25Å; L349-Y353 WeakPolarHBondContact O-CD2 3.43Å; L349-Y353 PolarHBondContact O-N 3.34Å; E351-Y353 PolarHBondContact O-N 3.32Å; Y353-V355 VanDerWaalsContact C-N 3.26Å; Y353-V355 PolarHBondContact O-N 2.81Å; Y353-F356 HydrophobicContact CD1-CB 4.34Å; Y353-F356 PolarHBondContact O-N 3.42Å; Y353-D357 VanDerWaalsContact O-CB 3.26Å; Y353-D357 WeakPolarHBondContact O-CB 3.47Å; Y353-D357 PolarHBondContact O-N 3.06Å; Y353-H442 HydrophobicContact CD1-CB 4.48Å; Y353-H442 AromaticContact CD1-CE1 3.67Å; Y353-H442 AromaticContact CD1-CG 3.86Å; Y353-H442 AromaticContact CD1-ND1 3.43Å; Y353-H442 WeakPolarHBondContact CD1-ND1 3.38Å; Y353-H442 AromaticContact CE1-CD2 3.97Å; Y353-H442 AromaticContact CE1-CE1 3.49Å; Y353-H442 VanDerWaalsContact CE1-CE1 3.49Å; Y353-H442 WeakPolarHBondContact CE1-CE1 3.24Å; Y353-H442 AromaticContact CE1-CG 3.98Å; Y353-H442 AromaticContact CE1-ND1 3.7Å; Y353-H442 AromaticContact CE1-NE2 3.69Å; Y353-F447 HydrophobicContact CD1-CZ 4.39Å; Y353-F447 AromaticContact CD2-CE2 3.62Å; Y353-F447 HydrophobicContact CD2-CE2 3.62Å; Y353-F447 HydrophobicContact CD2-CZ 4.17Å; Y353-F447 HydrophobicContact CE1-CE2 4.48Å; Y353-F447 HydrophobicContact CE1-CZ 4.27Å; Y353-F447 AromaticContact CE2-CE2 3.46Å; Y353-F447 HydrophobicContact CE2-CE2 3.46Å; Y353-F447 VanDerWaalsContact CE2-CE2 3.46Å; Y353-F447 HydrophobicContact CE2-CZ 4.06Å; Y353-F447 HydrophobicContact CG-CE2 4.23Å; Y353-F447 HydrophobicContact CG-CZ 4.35Å; Y353-F447 AromaticContact CZ-CE2 3.92Å
354	S	96.7	Very high	95.1	Very high	77 Å²	77	47.2 Å²	47.2	54%	0.538	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-38.6	171	78.5	0	0	0	0	112.2	Q350 E351 Y352 G358	Q350-S354 VanDerWaalsContact O-CB 3.26Å; Q350-S354 WeakPolarHBondContact O-CB 3.43Å; Q350-S354 PolarHBondContact O-N 3.31Å; E351-S354 PolarHBondContact O-N 2.87Å; E351-S354 PolarHBondContact O-OG 3.06Å; Y352-S354 PolarHBondContact O-N 2.94Å; S354-G358 PolarHBondContact O-N 3.24Å
355	V	97.5	Very high	95.4	Very high	18 Å²	18	51.1 Å²	51.1	11%	0.109	27%	0.271	C	S	.	.	H	α-helix	trans	-79.4	-43.4	176.4	178.6	0	0	0	0	110.8	E351 Y352 Y353 D357 G358 N362 Q365 L366	E351-V355 PolarHBondContact O-N 3.45Å; Y352-V355 PolarHBondContact O-N 2.87Å; Y353-V355 VanDerWaalsContact C-N 3.26Å; Y353-V355 PolarHBondContact O-N 2.81Å; V355-D357 PolarHBondContact O-N 3.27Å; V355-G358 PolarHBondContact O-N 3.35Å; V355-N362 WeakPolarHBondContact CG1-O 3.44Å; V355-Q365 HydrophobicContact CG1-CB 3.94Å; V355-L366 HydrophobicContact CB-CD2 3.79Å; V355-L366 HydrophobicContact CB-CG 4.3Å; V355-L366 HydrophobicContact CG1-CD2 3.78Å; V355-L366 HydrophobicContact CG1-CG 3.74Å
356	F	97.3	Very high	95.6	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.022	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-43.1	-177.6	-168.5	-80.7	0	0	0	113	Y352 Y353 G358 R363 L366 L433 I437 I440 H442	Y352-F356 HydrophobicContact CD1-CB 4.3Å; Y352-F356 HydrophobicContact CE1-CB 3.9Å; Y352-F356 AromaticContact CE1-CD2 3.59Å; Y352-F356 HydrophobicContact CE1-CD2 3.59Å; Y352-F356 HydrophobicContact CE1-CE2 4.41Å; Y352-F356 HydrophobicContact CE1-CG 4.01Å; Y352-F356 AromaticContact CZ-CD2 3.86Å; Y352-F356 WeakPolarHBondContact O-CB 3.42Å; Y352-F356 PolarHBondContact O-N 2.71Å; Y352-F356 WeakPolarHBondContact OH-CD2 3.14Å; Y353-F356 HydrophobicContact CD1-CB 4.34Å; Y353-F356 PolarHBondContact O-N 3.42Å; F356-G358 VanDerWaalsContact C-N 3.33Å; F356-R363 PolarHBondContact O-NE 3.5Å; F356-R363 PolarHBondContact O-NH2 3.02Å; F356-R363 VanDerWaalsContact O-NH2 3.15Å; F356-L366 HydrophobicContact CB-CD1 4.16Å; F356-L366 HydrophobicContact CD2-CD1 3.7Å; F356-L366 HydrophobicContact CG-CD1 4.37Å; F356-L433 HydrophobicContact CE2-CD1 4.26Å; F356-L433 HydrophobicContact CE2-CD2 4.06Å; F356-I437 HydrophobicContact CE1-CG2 4.29Å; F356-I437 HydrophobicContact CZ-CG2 3.96Å; F356-I440 HydrophobicContact CE1-CD1 3.98Å; F356-I440 HydrophobicContact CE1-CG1 4.04Å; F356-H442 AromaticContact CD1-CE1 3.79Å; F356-H442 AromaticContact CE1-CE1 3.79Å
357	D	96.4	Very high	95.8	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.091	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9	-178.5	-73.1	6.3	0	0	0	112.9	Y353 V355 K441 H442	Y353-D357 VanDerWaalsContact O-CB 3.26Å; Y353-D357 WeakPolarHBondContact O-CB 3.47Å; Y353-D357 PolarHBondContact O-N 3.06Å; V355-D357 PolarHBondContact O-N 3.27Å; D357-K441 HydrophobicContact CB-CD 4.11Å; D357-K441 WeakPolarHBondContact O-CE 3.4Å; D357-K441 PolarHBondContact O-NZ 2.95Å; D357-K441 WeakPolarHBondContact OD2-CA 3.34Å; D357-H442 VanDerWaalsContact CG-ND1 3.35Å; D357-H442 IonicContact OD1-CE1 3.24Å; D357-H442 PolarHBondContact OD1-CE1 3.45Å; D357-H442 IonicContact OD1-CG 3.98Å; D357-H442 IonicContact OD1-ND1 3.75Å; D357-H442 PolarHBondContact OD1-ND1 3.07Å; D357-H442 WeakPolarHBondContact OD2-CB 3.3Å; D357-H442 IonicContact OD2-CG 3.03Å; D357-H442 PolarHBondContact OD2-N 3.38Å; D357-H442 IonicContact OD2-ND1 2.61Å; D357-H442 PolarHBondContact OD2-ND1 3.04Å
358	G	93.1	Very high	95.8	Very high	23 Å²	23	54.3 Å²	54.3	24%	0.237	27%	0.274	C	S	.	.	S	Bend	trans	-65.6	-162.7	174	0	0	0	0	0	112.9	S354 V355 F356 K360	S354-G358 PolarHBondContact O-N 3.24Å; V355-G358 PolarHBondContact O-N 3.35Å; F356-G358 VanDerWaalsContact C-N 3.33Å; G358-K360 PolarHBondContact O-N 3.21Å
359	D	91.8	Very high	95.9	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	27%	0.274	S	S	.	.			trans	-58.8	134.4	171.6	-173.3	-42	0	0	0	109.6	K361 N362	D359-K361 PolarHBondContact O-N 2.68Å; D359-K361 WeakPolarHBondContact OD1-CB 3.31Å; D359-K361 WeakPolarHBondContact OD1-CG 3.4Å; D359-K361 PolarHBondContact OD1-N 3.35Å; D359-N362 WeakPolarHBondContact O-CB 3.4Å; D359-N362 PolarHBondContact O-N 3.32Å
360	K	92.6	Very high	96	Very high	62 Å²	62	53.6 Å²	53.6	27%	0.27	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-46.3	-33.6	175	-167.8	-178.7	-177.3	-171.9	0	113.2	G358 N362 R363 K434 E435 E439	G358-K360 PolarHBondContact O-N 3.21Å; K360-N362 VanDerWaalsContact C-N 3.33Å; K360-R363 PolarHBondContact O-N 2.87Å; K360-K434 WeakPolarHBondContact CE-O 3.41Å; K360-K434 HydrophobicContact CG-CG 4.41Å; K360-E435 PolarHBondContact NZ-O 3.2Å; K360-E435 VanDerWaalsContact NZ-O 3.1Å; K360-E439 HydrophobicContact CB-CG 3.81Å; K360-E439 HydrophobicContact CG-CG 4.48Å; K360-E439 PolarHBondContact N-OE1 3.36Å
361	K	93.6	Very high	96.1	Very high	152 Å²	152	49.8 Å²	49.8	66%	0.661	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-65.4	-32.8	177	-65.8	173.3	-176.2	172	0	113	D359 R363	D359-K361 PolarHBondContact O-N 2.68Å; D359-K361 WeakPolarHBondContact OD1-CB 3.31Å; D359-K361 WeakPolarHBondContact OD1-CG 3.4Å; D359-K361 PolarHBondContact OD1-N 3.35Å; K361-R363 VanDerWaalsContact C-N 3.29Å; K361-R363 PolarHBondContact O-N 2.97Å
362	N	94.5	Very high	96.2	Very high	74 Å²	74	47.5 Å²	47.5	40%	0.396	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-76.7	-15.3	-177.5	-67.1	-12.2	0	0	0	112.9	V355 D359 K360 V364 Q365	V355-N362 WeakPolarHBondContact CG1-O 3.44Å; D359-N362 WeakPolarHBondContact O-CB 3.4Å; D359-N362 PolarHBondContact O-N 3.32Å; K360-N362 VanDerWaalsContact C-N 3.33Å; N362-V364 PolarHBondContact O-N 3.16Å; N362-Q365 VanDerWaalsContact O-CB 3.29Å; N362-Q365 WeakPolarHBondContact O-CB 3.3Å; N362-Q365 WeakPolarHBondContact O-CG 3.41Å; N362-Q365 PolarHBondContact O-N 3.11Å
363	R	96.7	Very high	96.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.7	-17.9	176	-68.1	-175.6	177.5	165.8	1.6	113.9	F356 K360 K361 Q365 L366 L433 K434 I437 P438	F356-R363 PolarHBondContact O-NE 3.5Å; F356-R363 PolarHBondContact O-NH2 3.02Å; F356-R363 VanDerWaalsContact O-NH2 3.15Å; K360-R363 PolarHBondContact O-N 2.87Å; K361-R363 VanDerWaalsContact C-N 3.29Å; K361-R363 PolarHBondContact O-N 2.97Å; R363-Q365 PolarHBondContact O-N 3.26Å; R363-L366 HydrophobicContact CB-CD1 4.32Å; R363-L366 HydrophobicContact CG-CD1 4.39Å; R363-L366 VanDerWaalsContact O-CB 3.3Å; R363-L366 WeakPolarHBondContact O-CB 3.35Å; R363-L366 PolarHBondContact O-N 3.33Å; R363-L433 PolarHBondContact NH1-O 3.09Å; R363-K434 HydrophobicContact CB-CB 4.38Å; R363-I437 PolarHBondContact NH1-O 3.13Å; R363-P438 PolarHBondContact NH1-O 2.93Å; R363-P438 PolarHBondContact NH2-O 2.88Å
364	V	97	Very high	96.1	Very high	71 Å²	71	62 Å²	62	43%	0.43	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-56.5	-31.6	170.4	-178.9	0	0	0	0	111.7	N362 L366 M367 K434	N362-V364 PolarHBondContact O-N 3.16Å; V364-L366 PolarHBondContact O-N 2.87Å; V364-M367 WeakPolarHBondContact O-CB 2.85Å; V364-M367 PolarHBondContact O-N 3.38Å; V364-M367 VanDerWaalsContact O-N 3.14Å; V364-K434 HydrophobicContact CG2-CD 3.74Å
365	Q	96.7	Very high	96.2	Very high	109 Å²	109	58.3 Å²	58.3	51%	0.509	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-67.9	-17.8	178.6	-59.5	173.3	29.2	0	0	113.1	V355 N362 R363 M367 K368	V355-Q365 HydrophobicContact CG1-CB 3.94Å; N362-Q365 VanDerWaalsContact O-CB 3.29Å; N362-Q365 WeakPolarHBondContact O-CB 3.3Å; N362-Q365 WeakPolarHBondContact O-CG 3.41Å; N362-Q365 PolarHBondContact O-N 3.11Å; R363-Q365 PolarHBondContact O-N 3.26Å; Q365-M367 PolarHBondContact O-N 2.8Å; Q365-K368 WeakPolarHBondContact O-CG 3.32Å
366	L	97.7	Very high	96.2	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-68.9	-12.1	173.9	-64.4	174.4	0	0	0	112.5	Y352 V355 F356 R363 V364 K368 A369 Y370 I430	Y352-L366 HydrophobicContact CD2-CD2 3.8Å; Y352-L366 HydrophobicContact CE2-CD1 4.37Å; Y352-L366 HydrophobicContact CE2-CD2 3.8Å; Y352-L366 HydrophobicContact CG-CD2 4.18Å; V355-L366 HydrophobicContact CB-CD2 3.79Å; V355-L366 HydrophobicContact CB-CG 4.3Å; V355-L366 HydrophobicContact CG1-CD2 3.78Å; V355-L366 HydrophobicContact CG1-CG 3.74Å; F356-L366 HydrophobicContact CB-CD1 4.16Å; F356-L366 HydrophobicContact CD2-CD1 3.7Å; F356-L366 HydrophobicContact CG-CD1 4.37Å; R363-L366 HydrophobicContact CB-CD1 4.32Å; R363-L366 HydrophobicContact CG-CD1 4.39Å; R363-L366 VanDerWaalsContact O-CB 3.3Å; R363-L366 WeakPolarHBondContact O-CB 3.35Å; R363-L366 PolarHBondContact O-N 3.33Å; V364-L366 PolarHBondContact O-N 2.87Å; L366-K368 PolarHBondContact O-N 3.09Å; L366-K368 VanDerWaalsContact O-N 3.16Å; L366-A369 WeakPolarHBondContact O-CB 3.39Å; L366-A369 PolarHBondContact O-N 2.65Å; L366-Y370 WeakPolarHBondContact O-CD2 3.49Å; L366-I430 HydrophobicContact CB-CD1 3.57Å
367	M	97.2	Very high	96.3	Very high	54 Å²	54	60.2 Å²	60.2	27%	0.266	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.8	-34.5	179.1	-172.2	174.9	-72.2	0	0	112.7	V364 Q365 A369 Y370 N426 M427 I430	V364-M367 WeakPolarHBondContact O-CB 2.85Å; V364-M367 PolarHBondContact O-N 3.38Å; V364-M367 VanDerWaalsContact O-N 3.14Å; Q365-M367 PolarHBondContact O-N 2.8Å; M367-A369 PolarHBondContact O-N 3.46Å; M367-Y370 PolarHBondContact O-N 3.48Å; M367-N426 HydrophobicContact CG-CB 4.1Å; M367-N426 VanDerWaalsContact CG-ND2 3.34Å; M367-N426 WeakPolarHBondContact CG-ND2 3.27Å; M367-N426 PolarHBondContact O-ND2 3.32Å; M367-M427 HydrophobicContact CE-SD 3.54Å; M367-M427 VanDerWaalsContact CE-SD 3.54Å; M367-I430 HydrophobicContact CB-CG1 3.91Å; M367-I430 HydrophobicContact CE-CB 4.44Å; M367-I430 HydrophobicContact CE-CG2 4.45Å; M367-I430 HydrophobicContact CG-CG1 4.47Å
368	K	94.7	Very high	96.2	Very high	139 Å²	139	60.6 Å²	60.6	60%	0.604	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-69.4	-19.4	177	75.3	-177.3	-179.2	162.3	0	113.9	E351 Q365 L366 Y370 I494	E351-K368 WeakPolarHBondContact OE1-CE 3.32Å; E351-K368 IonicContact OE1-NZ 3.67Å; E351-K368 PolarHBondContact OE1-NZ 2.9Å; Q365-K368 WeakPolarHBondContact O-CG 3.32Å; L366-K368 PolarHBondContact O-N 3.09Å; L366-K368 VanDerWaalsContact O-N 3.16Å; K368-Y370 VanDerWaalsContact C-N 3.33Å; K368-I494 WeakPolarHBondContact O-CD1 3.36Å
369	A	96.9	Very high	96.3	Very high	11 Å²	11	59.5 Å²	59.5	9%	0.091	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-85	-8.5	-177.6	0	0	0	0	0	112.8	F348 Y352 L366 M367 I495	F348-A369 HydrophobicContact CE2-CB 4.28Å; Y352-A369 HydrophobicContact CD2-CB 4.22Å; L366-A369 WeakPolarHBondContact O-CB 3.39Å; L366-A369 PolarHBondContact O-N 2.65Å; M367-A369 PolarHBondContact O-N 3.46Å; A369-I495 HydrophobicContact CB-CD1 4.47Å; A369-I495 WeakPolarHBondContact O-CB 3.48Å; A369-I495 WeakPolarHBondContact O-CG1 3.35Å; A369-I495 PolarHBondContact O-N 3.25Å
370	Y	98.5	Very high	96.3	Very high	6 Å²	6	57.1 Å²	57.1	2%	0.024	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-114.9	146.5	-179.4	-70	-94.5	0	0	0	110.7	Y352 L366 M367 K368 I429 I430 L433 R482 I495 D498	Y352-Y370 AromaticContact CE2-CE2 4Å; Y352-Y370 HydrophobicContact CE2-CE2 4Å; Y352-Y370 PolarHBondContact OH-OH 3.28Å; Y352-Y370 VanDerWaalsContact OH-OH 3.08Å; L366-Y370 WeakPolarHBondContact O-CD2 3.49Å; M367-Y370 PolarHBondContact O-N 3.48Å; K368-Y370 VanDerWaalsContact C-N 3.33Å; Y370-I429 HydrophobicContact CD1-CD1 3.77Å; Y370-I429 HydrophobicContact CD1-CG2 4.05Å; Y370-I429 HydrophobicContact CD2-CG2 4.36Å; Y370-I429 HydrophobicContact CE1-CD1 4.17Å; Y370-I429 HydrophobicContact CE1-CG2 3.77Å; Y370-I429 HydrophobicContact CE2-CG2 4.1Å; Y370-I429 HydrophobicContact CG-CD1 4.42Å; Y370-I429 HydrophobicContact CG-CG2 4.35Å; Y370-I430 HydrophobicContact CD2-CD1 3.97Å; Y370-I430 HydrophobicContact CE2-CD1 3.94Å; Y370-L433 HydrophobicContact CE2-CD1 4.3Å; Y370-R482 PolarHBondContact OH-NH2 3.37Å; Y370-I495 HydrophobicContact CD1-CB 3.67Å; Y370-I495 HydrophobicContact CD1-CD1 4.16Å; Y370-I495 HydrophobicContact CD1-CG2 3.68Å; Y370-I495 HydrophobicContact CD2-CD1 4.32Å; Y370-I495 HydrophobicContact CE1-CB 3.88Å; Y370-I495 HydrophobicContact CE1-CD1 3.72Å; Y370-I495 HydrophobicContact CE1-CG1 4.42Å; Y370-I495 HydrophobicContact CE1-CG2 3.57Å; Y370-I495 HydrophobicContact CE2-CD1 3.9Å; Y370-I495 HydrophobicContact CG-CB 4.21Å; Y370-I495 HydrophobicContact CG-CD1 4.44Å; Y370-D498 HydrophobicContact CE1-CB 3.98Å; Y370-D498 WeakPolarHBondContact CE1-OD2 3.37Å; Y370-D498 PolarHBondContact OH-OD2 3.35Å
371	E	98.1	Very high	96.1	Very high	39 Å²	39	54.2 Å²	54.2	18%	0.182	27%	0.273	C	S	.	.			trans	-57.1	139.2	168.9	-156.6	-62.9	116.7	0	0	109.6	E373 Q374 S375 I494 I495 L496	E371-E373 PolarHBondContact OE2-N 2.89Å; E371-Q374 PolarHBondContact OE2-N 3.3Å; E371-S375 VanDerWaalsContact O-CB 3.22Å; E371-S375 WeakPolarHBondContact O-CB 3.2Å; E371-S375 PolarHBondContact O-OG 3.37Å; E371-I494 HydrophobicContact CB-CG2 3.9Å; E371-I494 VanDerWaalsContact N-CG2 3.33Å; E371-I495 PolarHBondContact N-O 2.85Å; E371-L496 HydrophobicContact CB-CD2 3.87Å; E371-L496 HydrophobicContact CG-CD2 3.91Å
372	A	97.1	Very high	95.5	Very high	50 Å²	50	48.3 Å²	48.3	41%	0.413	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-43.9	-164.6	0	0	0	0	0	113.6	G425 N426	A372-G425 WeakPolarHBondContact O-CA 3.31Å; A372-N426 PolarHBondContact O-N 2.89Å; A372-N426 PolarHBondContact O-OD1 3.28Å
373	E	96.9	Very high	94.4	Very high	157 Å²	157	47 Å²	47	73%	0.734	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-40.1	-165.6	-63.3	-174.1	176.2	0	0	112.9	E371 G425	E371-E373 PolarHBondContact OE2-N 2.89Å; E373-G425 WeakPolarHBondContact O-CA 3.47Å
374	Q	97	Very high	92.8	Very high	158 Å²	158	51.9 Å²	51.9	74%	0.738	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-3.2	-168.4	-61.7	-173.7	-11.6	0	0	113.6	E371	E371-Q374 PolarHBondContact OE2-N 3.3Å
375	S	98.3	Very high	90.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.			trans	-58.8	146	174.7	58	0	0	0	0	111.8	E371 S424 G425 N426 I429 L496	E371-S375 VanDerWaalsContact O-CB 3.22Å; E371-S375 WeakPolarHBondContact O-CB 3.2Å; E371-S375 PolarHBondContact O-OG 3.37Å; S375-S424 CarbonylContact O-C 3.5Å; S375-S424 WeakPolarHBondContact O-CA 3.48Å; S375-G425 PolarHBondContact O-N 3.27Å; S375-N426 PolarHBondContact OG-N 3.08Å; S375-I429 VanDerWaalsContact OG-CD1 3.3Å; S375-I429 WeakPolarHBondContact OG-CD1 3.34Å; S375-L496 WeakPolarHBondContact CA-O 3.44Å
376	L	98.3	Very high	88.6	Confident	64 Å²	64	55.5 Å²	55.5	34%	0.335	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.7	-179.9	-67	173.1	0	0	0	111.7	F423 L496 N497 D498	L376-F423 CarbonylContact C-O 3.55Å; L376-F423 WeakPolarHBondContact CA-O 3.37Å; L376-L496 PolarHBondContact N-O 3.44Å; L376-L496 VanDerWaalsContact N-O 3.08Å; L376-N497 WeakPolarHBondContact CB-OD1 3.4Å; L376-N497 CarbonylContact O-C 3.6Å; L376-N497 WeakPolarHBondContact O-CA 3.48Å; L376-D498 PolarHBondContact O-N 3.17Å
377	L	98.2	Very high	86.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.3	167.7	173	75.9	0	0	0	110.7	I379 F423 I429 F432 L433 D498	L377-I379 HydrophobicContact CD1-CD1 3.9Å; L377-I379 HydrophobicContact CD2-CD1 4.28Å; L377-I379 HydrophobicContact CG-CD1 4.2Å; L377-F423 HydrophobicContact CB-CB 4.23Å; L377-F423 HydrophobicContact CD2-CD2 4.23Å; L377-F423 HydrophobicContact CG-CD2 4.41Å; L377-F423 PolarHBondContact N-O 3.39Å; L377-F423 PolarHBondContact O-N 2.93Å; L377-I429 HydrophobicContact CB-CB 4.37Å; L377-I429 HydrophobicContact CB-CD1 4.04Å; L377-I429 HydrophobicContact CB-CG1 3.74Å; L377-I429 HydrophobicContact CB-CG2 3.99Å; L377-I429 HydrophobicContact CD2-CG2 3.99Å; L377-F432 HydrophobicContact CD2-CD1 3.61Å; L377-F432 HydrophobicContact CD2-CE1 4.18Å; L377-F432 HydrophobicContact CD2-CG 4.47Å; L377-L433 HydrophobicContact CD2-CD2 3.72Å; L377-L433 HydrophobicContact CD2-CG 3.99Å; L377-D498 CarbonylContact C-O 3.6Å; L377-D498 VanDerWaalsContact CA-O 3.3Å; L377-D498 WeakPolarHBondContact CA-O 3.47Å; L377-D498 HydrophobicContact CB-CB 4.44Å; L377-D498 HydrophobicContact CD1-CB 3.74Å; L377-D498 WeakPolarHBondContact CD1-OD2 3.33Å
378	T	96	Very high	84.2	Confident	24 Å²	24	65.9 Å²	65.9	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.4	166.1	55.7	0	0	0	0	110.9	E422 D498 T500	T378-E422 HydrophobicContact CG2-CG 3.86Å; T378-D498 PolarHBondContact N-O 3.22Å; T378-T500 PolarHBondContact O-N 2.87Å
379	I	94.2	Very high	82.1	Confident	1 Å²	1	66 Å²	66	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.1	178.8	-54.8	-61.7	0	0	0	110.7	L377 L381 Y404 H406 F432 T500 F502	L377-I379 HydrophobicContact CD1-CD1 3.9Å; L377-I379 HydrophobicContact CD2-CD1 4.28Å; L377-I379 HydrophobicContact CG-CD1 4.2Å; I379-L381 HydrophobicContact CG2-CG 4.39Å; I379-Y404 VanDerWaalsContact O-O 3.1Å; I379-H406 PolarHBondContact O-N 3.47Å; I379-F432 HydrophobicContact CD1-CE1 4.05Å; I379-F432 HydrophobicContact CG1-CD1 4.49Å; I379-F432 HydrophobicContact CG1-CE1 3.46Å; I379-F432 VanDerWaalsContact CG1-CE1 3.46Å; I379-F432 HydrophobicContact CG1-CZ 3.77Å; I379-T500 CarbonylContact C-O 3.53Å; I379-T500 VanDerWaalsContact CA-O 3.3Å; I379-T500 WeakPolarHBondContact CA-O 3.32Å; I379-T500 HydrophobicContact CD1-CG2 4.21Å; I379-F502 HydrophobicContact CD1-CE2 4.48Å; I379-F502 HydrophobicContact CG2-CD2 4.15Å; I379-F502 HydrophobicContact CG2-CE2 4.27Å
380	S	91.8	Very high	80.3	Confident	25 Å²	25	66.4 Å²	66.4	18%	0.175	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.5	169	-64.8	0	0	0	0	111.4	N405 H406 T500 Y501 F502	S380-N405 WeakPolarHBondContact CA-OD1 3.31Å; S380-H406 PolarHBondContact OG-O 3.14Å; S380-T500 PolarHBondContact N-O 2.57Å; S380-Y501 WeakPolarHBondContact O-CA 3.38Å; S380-F502 PolarHBondContact O-N 3.1Å
381	L	88.4	Confident	78.9	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	121.4	-175.1	-76.1	156.2	0	0	0	109.6	I379 N383 I392 W398 L401 N405 F502	I379-L381 HydrophobicContact CG2-CG 4.39Å; L381-N383 PolarHBondContact O-N 3.41Å; L381-N383 VanDerWaalsContact O-N 3.17Å; L381-I392 HydrophobicContact CD2-CD1 4.18Å; L381-I392 HydrophobicContact CD2-CG2 4.16Å; L381-W398 HydrophobicContact CD2-CE3 4.19Å; L381-L401 HydrophobicContact CD1-CB 3.41Å; L381-L401 VanDerWaalsContact CD1-CB 3.41Å; L381-L401 WeakPolarHBondContact CD1-O 3.47Å; L381-N405 HydrophobicContact CB-CB 4.36Å; L381-N405 PolarHBondContact N-OD1 3.07Å; L381-N405 PolarHBondContact O-ND2 2.78Å; L381-N405 PolarHBondContact O-OD1 2.85Å; L381-F502 WeakPolarHBondContact CA-O 3.37Å; L381-F502 HydrophobicContact CD2-CB 3.76Å; L381-F502 HydrophobicContact CD2-CD2 4.26Å; L381-F502 HydrophobicContact CD2-CG 4.48Å
382	N	81.8	Confident	78	Confident	27 Å²	27	65.3 Å²	65.3	14%	0.144	34%	0.339	C	S	.	.			trans	-79.4	104.9	168.5	-175.4	-16.7	0	0	0	110.1	Q384 I392 Y501 F502 C503	N382-Q384 WeakPolarHBondContact OD1-CB 3.31Å; N382-Q384 WeakPolarHBondContact OD1-CG 3.47Å; N382-Q384 PolarHBondContact OD1-N 3.47Å; N382-I392 WeakPolarHBondContact O-CG2 3.4Å; N382-Y501 HydrophobicContact CB-CE2 3.85Å; N382-Y501 WeakPolarHBondContact CB-OH 3.32Å; N382-Y501 PolarHBondContact ND2-OH 3.36Å; N382-F502 PolarHBondContact N-O 2.73Å; N382-C503 HydrophobicContact CB-CB 4.14Å
383	N	70.4	Confident	77	Confident	48 Å²	48	63.6 Å²	63.6	26%	0.257	32%	0.324	S	S	.	.			trans	-112.1	31	176.2	-177.2	34.4	0	0	0	111.5	L381 T385 N391 C393	L381-N383 PolarHBondContact O-N 3.41Å; L381-N383 VanDerWaalsContact O-N 3.17Å; N383-T385 PolarHBondContact O-N 3.09Å; N383-N391 PolarHBondContact OD1-ND2 2.84Å; N383-N391 PolarHBondContact OD1-OD1 3.26Å; N383-C393 VanDerWaalsContact OD1-CB 3.25Å; N383-C393 WeakPolarHBondContact OD1-CB 3.32Å
384	Q	64.4	Low	75.9	Confident	101 Å²	101	62.6 Å²	62.6	47%	0.472	32%	0.323	S	S	.	.			trans	-61.2	108.8	178.8	-72.3	-171.7	1.1	0	0	110.3	N382 N386 Q387	N382-Q384 WeakPolarHBondContact OD1-CB 3.31Å; N382-Q384 WeakPolarHBondContact OD1-CG 3.47Å; N382-Q384 PolarHBondContact OD1-N 3.47Å; Q384-N386 PolarHBondContact O-N 3.18Å; Q384-Q387 PolarHBondContact O-N 3.29Å
385	T	53.6	Low	75	Confident	106 Å²	106	56 Å²	56	65%	0.65	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.9	-174.2	51.5	0	0	0	0	113.4	N383 Q387	N383-T385 PolarHBondContact O-N 3.09Å; T385-Q387 VanDerWaalsContact C-N 3.28Å; T385-Q387 PolarHBondContact O-N 2.88Å
386	N	50.5	Low	74.2	Confident	150 Å²	150	64.8 Å²	64.8	80%	0.802	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.1	-175.7	-74.5	-11.1	0	0	0	113.4	Q384 K388	Q384-N386 PolarHBondContact O-N 3.18Å; N386-K388 PolarHBondContact O-N 2.87Å; N386-K388 VanDerWaalsContact O-N 3.13Å
387	Q	50.9	Low	73.6	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	33%	0.327	S	S	.	.			trans	-84	89.2	172.2	-64.6	-167.6	0.8	0	0	109.4	Q384 T385 N389 S390	Q384-Q387 PolarHBondContact O-N 3.29Å; T385-Q387 VanDerWaalsContact C-N 3.28Å; T385-Q387 PolarHBondContact O-N 2.88Å; Q387-N389 PolarHBondContact O-N 2.81Å; Q387-S390 WeakPolarHBondContact CB-OG 3.32Å; Q387-S390 PolarHBondContact O-N 2.85Å; Q387-S390 PolarHBondContact OE1-OG 2.8Å
388	K	52.3	Low	73	Confident	193 Å²	193	65.1 Å²	65.1	84%	0.839	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-20	179	-74.2	-177.5	178.2	175.8	0	114.3	N386	N386-K388 PolarHBondContact O-N 2.87Å; N386-K388 VanDerWaalsContact O-N 3.13Å
389	N	51.2	Low	72.5	Confident	142 Å²	142	70.3 Å²	70.3	76%	0.759	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-1.7	-169.6	-65.3	-18.8	0	0	0	115.5	Q387	Q387-N389 PolarHBondContact O-N 2.81Å
390	S	59.5	Low	72.1	Confident	19 Å²	19	73.3 Å²	73.3	13%	0.133	37%	0.369	C	S	.	.			trans	-148.7	51.1	-170.3	43.8	0	0	0	0	113.2	Q387 G504	Q387-S390 WeakPolarHBondContact CB-OG 3.32Å; Q387-S390 PolarHBondContact O-N 2.85Å; Q387-S390 PolarHBondContact OE1-OG 2.8Å; S390-G504 WeakPolarHBondContact O-CA 3.2Å
391	N	69.1	Low	72	Confident	21 Å²	21	72.2 Å²	72.2	11%	0.112	36%	0.361	C	S	.	.			trans	-111.4	123	174.9	-170	-25	0	0	0	111.5	N383 C393 L394	N383-N391 PolarHBondContact OD1-ND2 2.84Å; N383-N391 PolarHBondContact OD1-OD1 3.26Å; N391-C393 PolarHBondContact O-N 2.9Å; N391-C393 WeakPolarHBondContact OD1-CB 3.31Å; N391-C393 PolarHBondContact OD1-N 3.04Å; N391-L394 HydrophobicContact CB-CG 4.23Å; N391-L394 WeakPolarHBondContact O-CG 3.33Å; N391-L394 PolarHBondContact O-N 2.86Å
392	I	78.7	Confident	71.8	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.005	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32	176.7	-169.8	162.4	0	0	0	113	L381 N382 L394 W398 F467 K478 F502	L381-I392 HydrophobicContact CD2-CD1 4.18Å; L381-I392 HydrophobicContact CD2-CG2 4.16Å; N382-I392 WeakPolarHBondContact O-CG2 3.4Å; I392-L394 PolarHBondContact O-N 3Å; I392-W398 HydrophobicContact CD1-CD2 3.85Å; I392-W398 HydrophobicContact CD1-CE3 3.53Å; I392-W398 HydrophobicContact CD1-CG 4.44Å; I392-W398 HydrophobicContact CD1-CZ3 3.89Å; I392-W398 HydrophobicContact CG1-CB 4.12Å; I392-W398 HydrophobicContact CG1-CD2 3.8Å; I392-W398 HydrophobicContact CG1-CE3 3.92Å; I392-W398 HydrophobicContact CG1-CG 3.86Å; I392-W398 WeakPolarHBondContact O-CB 3.33Å; I392-F467 HydrophobicContact CD1-CZ 4.16Å; I392-K478 HydrophobicContact CD1-CD 4.04Å; I392-K478 HydrophobicContact CG1-CD 3.83Å; I392-K478 HydrophobicContact CG1-CG 4.41Å; I392-F502 HydrophobicContact CD1-CB 3.47Å; I392-F502 VanDerWaalsContact CD1-CB 3.47Å; I392-F502 HydrophobicContact CD1-CG 4.46Å
393	C	76.3	Confident	72	Confident	14 Å²	14	80.5 Å²	80.5	10%	0.095	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-81.3	4.4	-175.3	-64.1	0	0	0	0	114.3	N383 N391 N395 I402	N383-C393 VanDerWaalsContact OD1-CB 3.25Å; N383-C393 WeakPolarHBondContact OD1-CB 3.32Å; N391-C393 PolarHBondContact O-N 2.9Å; N391-C393 WeakPolarHBondContact OD1-CB 3.31Å; N391-C393 PolarHBondContact OD1-N 3.04Å; C393-N395 PolarHBondContact O-N 3.3Å; C393-I402 HydrophobicContact CB-CD1 4.1Å
394	L	74	Confident	73	Confident	137 Å²	137	79.7 Å²	79.7	72%	0.717	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-60.2	-30.3	167.3	-68.8	174.5	0	0	0	111.3	N391 I392	N391-L394 HydrophobicContact CB-CG 4.23Å; N391-L394 WeakPolarHBondContact O-CG 3.33Å; N391-L394 PolarHBondContact O-N 2.86Å; I392-L394 PolarHBondContact O-N 3Å
395	N	77.2	Confident	74.1	Confident	18 Å²	18	75.5 Å²	75.5	10%	0.096	37%	0.369	C	S	.	.	S	Bend	trans	-84.8	125.8	173.7	178.1	-22.3	0	0	0	110.5	C393 R397 W398 K399 D469 D472	C393-N395 PolarHBondContact O-N 3.3Å; N395-R397 PolarHBondContact O-N 2.75Å; N395-R397 VanDerWaalsContact O-N 3.17Å; N395-R397 WeakPolarHBondContact OD1-CB 3.37Å; N395-R397 WeakPolarHBondContact OD1-CG 3.48Å; N395-R397 PolarHBondContact OD1-N 3.27Å; N395-W398 PolarHBondContact O-N 3.38Å; N395-W398 VanDerWaalsContact O-N 3.08Å; N395-K399 PolarHBondContact O-N 3.38Å; N395-K399 VanDerWaalsContact O-N 3.08Å; N395-D469 PolarHBondContact ND2-OD2 3.34Å; N395-D472 WeakPolarHBondContact ND2-CB 3.3Å; N395-D472 VanDerWaalsContact ND2-CG 3.32Å; N395-D472 PolarHBondContact ND2-OD2 3.43Å
396	K	81.8	Confident	75.9	Confident	185 Å²	185	71.9 Å²	71.9	80%	0.804	34%	0.344	S	S	*	.	H	α-helix	trans	-57.7	-30.2	-177.8	-67.6	-177.5	-178.5	177.2	0	113.4	K399	K396-K399 PolarHBondContact O-N 2.98Å
397	R	85.4	Confident	77.5	Confident	71 Å²	71	66.9 Å²	66.9	27%	0.268	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-45.7	177.3	-61	177.4	77	-165.2	10.5	110.4	N395 S400 P438 D469	N395-R397 PolarHBondContact O-N 2.75Å; N395-R397 VanDerWaalsContact O-N 3.17Å; N395-R397 WeakPolarHBondContact OD1-CB 3.37Å; N395-R397 WeakPolarHBondContact OD1-CG 3.48Å; N395-R397 PolarHBondContact OD1-N 3.27Å; R397-S400 PolarHBondContact O-N 3.22Å; R397-S400 PolarHBondContact O-OG 3.09Å; R397-P438 HydrophobicContact CB-CG 4.09Å; R397-D469 IonicContact NH1-OD1 3.33Å; R397-D469 PolarHBondContact NH1-OD1 2.67Å; R397-D469 IonicContact NH1-OD2 3.26Å; R397-D469 PolarHBondContact NH1-OD2 2.84Å
398	W	86.5	Confident	79.1	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-73.1	-32.6	179.5	-67.9	89.9	0	0	0	112.6	L381 I392 N395 S400 L401 P438 I440 F467 D469 F502	L381-W398 HydrophobicContact CD2-CE3 4.19Å; I392-W398 HydrophobicContact CD1-CD2 3.85Å; I392-W398 HydrophobicContact CD1-CE3 3.53Å; I392-W398 HydrophobicContact CD1-CG 4.44Å; I392-W398 HydrophobicContact CD1-CZ3 3.89Å; I392-W398 HydrophobicContact CG1-CB 4.12Å; I392-W398 HydrophobicContact CG1-CD2 3.8Å; I392-W398 HydrophobicContact CG1-CE3 3.92Å; I392-W398 HydrophobicContact CG1-CG 3.86Å; I392-W398 WeakPolarHBondContact O-CB 3.33Å; N395-W398 PolarHBondContact O-N 3.38Å; N395-W398 VanDerWaalsContact O-N 3.08Å; W398-S400 PolarHBondContact O-N 3.5Å; W398-S400 VanDerWaalsContact O-N 3.14Å; W398-L401 HydrophobicContact CD2-CD1 4.45Å; W398-L401 HydrophobicContact CE3-CD1 3.57Å; W398-L401 HydrophobicContact CZ3-CD1 3.74Å; W398-L401 WeakPolarHBondContact O-CB 3.24Å; W398-L401 PolarHBondContact O-N 3.33Å; W398-P438 HydrophobicContact CD2-CG 4.27Å; W398-P438 HydrophobicContact CH2-CG 4.43Å; W398-P438 HydrophobicContact CZ2-CB 4.17Å; W398-P438 HydrophobicContact CZ2-CG 3.92Å; W398-I440 HydrophobicContact CH2-CG2 4.22Å; W398-I440 HydrophobicContact CZ2-CG2 3.62Å; W398-F467 AromaticContact CH2-CE2 3.74Å; W398-F467 HydrophobicContact CH2-CE2 3.74Å; W398-F467 AromaticContact CH2-CZ 3.78Å; W398-F467 HydrophobicContact CH2-CZ 3.78Å; W398-F467 AromaticContact CZ2-CE2 3.51Å; W398-F467 HydrophobicContact CZ2-CE2 3.51Å; W398-F467 AromaticContact CZ2-CZ 3.96Å; W398-F467 HydrophobicContact CZ2-CZ 3.96Å; W398-F467 HydrophobicContact CZ3-CZ 4.45Å; W398-D469 PolarHBondContact NE1-OD2 2.9Å; W398-D469 VanDerWaalsContact NE1-OD2 3.11Å; W398-F502 HydrophobicContact CH2-CD1 4.2Å; W398-F502 HydrophobicContact CH2-CE1 4.27Å; W398-F502 HydrophobicContact CH2-CG 4.35Å; W398-F502 HydrophobicContact CH2-CZ 4.48Å; W398-F502 HydrophobicContact CZ3-CB 4.19Å; W398-F502 HydrophobicContact CZ3-CD1 4.15Å; W398-F502 AromaticContact CZ3-CD2 3.87Å; W398-F502 HydrophobicContact CZ3-CD2 3.87Å; W398-F502 HydrophobicContact CZ3-CE1 4.47Å; W398-F502 HydrophobicContact CZ3-CE2 4.21Å; W398-F502 AromaticContact CZ3-CG 3.83Å; W398-F502 HydrophobicContact CZ3-CG 3.83Å; W398-F502 HydrophobicContact CZ3-CZ 4.49Å
399	K	85.5	Confident	80.5	Confident	134 Å²	134	66.1 Å²	66.1	58%	0.583	32%	0.322	S	S	*	.	H	α-helix	trans	-55.9	-32.3	176	-165.5	175.5	-177.7	174	0	113.1	N395 K396 L401 I402	N395-K399 PolarHBondContact O-N 3.38Å; N395-K399 VanDerWaalsContact O-N 3.08Å; K396-K399 PolarHBondContact O-N 2.98Å; K399-L401 PolarHBondContact O-N 3.22Å; K399-I402 HydrophobicContact CB-CD1 4.43Å; K399-I402 HydrophobicContact CG-CD1 3.74Å; K399-I402 WeakPolarHBondContact O-CB 3.36Å; K399-I402 WeakPolarHBondContact O-CD1 3.48Å; K399-I402 WeakPolarHBondContact O-CG1 3.41Å; K399-I402 PolarHBondContact O-N 3.28Å
400	S	85.7	Confident	81.9	Confident	64 Å²	64	63 Å²	63	45%	0.448	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-68.4	-21.6	176.4	72.4	0	0	0	0	114.1	R397 W398 I402 R403	R397-S400 PolarHBondContact O-N 3.22Å; R397-S400 PolarHBondContact O-OG 3.09Å; W398-S400 PolarHBondContact O-N 3.5Å; W398-S400 VanDerWaalsContact O-N 3.14Å; S400-I402 VanDerWaalsContact C-N 3.31Å; S400-R403 WeakPolarHBondContact O-CG 3.5Å
401	L	88.1	Confident	83.1	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-79.3	-14	178	-66	172	0	0	0	112.9	L381 W398 K399 R403 Y404 N405 F432 R436 I437	L381-L401 HydrophobicContact CD1-CB 3.41Å; L381-L401 VanDerWaalsContact CD1-CB 3.41Å; L381-L401 WeakPolarHBondContact CD1-O 3.47Å; W398-L401 HydrophobicContact CD2-CD1 4.45Å; W398-L401 HydrophobicContact CE3-CD1 3.57Å; W398-L401 HydrophobicContact CZ3-CD1 3.74Å; W398-L401 WeakPolarHBondContact O-CB 3.24Å; W398-L401 PolarHBondContact O-N 3.33Å; K399-L401 PolarHBondContact O-N 3.22Å; L401-R403 PolarHBondContact O-N 2.76Å; L401-R403 VanDerWaalsContact O-N 3.1Å; L401-Y404 HydrophobicContact CD2-CD2 4.21Å; L401-Y404 WeakPolarHBondContact O-CA 3.37Å; L401-Y404 WeakPolarHBondContact O-CB 3.49Å; L401-Y404 PolarHBondContact O-N 3.13Å; L401-N405 PolarHBondContact O-N 3.38Å; L401-F432 HydrophobicContact CD2-CZ 4.17Å; L401-R436 HydrophobicContact CD2-CB 3.79Å; L401-R436 WeakPolarHBondContact CD2-O 3.41Å; L401-I437 HydrophobicContact CD1-CD1 4.02Å; L401-I437 HydrophobicContact CD2-CD1 4.18Å
402	I	85.9	Confident	83.9	Confident	57 Å²	57	72.2 Å²	72.2	29%	0.292	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-54.1	-34.5	177.8	-65.9	171.8	0	0	0	111.7	C393 K399 S400 Y404 N405	C393-I402 HydrophobicContact CB-CD1 4.1Å; K399-I402 HydrophobicContact CB-CD1 4.43Å; K399-I402 HydrophobicContact CG-CD1 3.74Å; K399-I402 WeakPolarHBondContact O-CB 3.36Å; K399-I402 WeakPolarHBondContact O-CD1 3.48Å; K399-I402 WeakPolarHBondContact O-CG1 3.41Å; K399-I402 PolarHBondContact O-N 3.28Å; S400-I402 VanDerWaalsContact C-N 3.31Å; I402-Y404 PolarHBondContact O-N 3.14Å; I402-Y404 VanDerWaalsContact O-N 3.17Å; I402-N405 WeakPolarHBondContact O-CB 3.29Å; I402-N405 PolarHBondContact O-N 3.31Å; I402-N405 VanDerWaalsContact O-N 3.1Å
403	R	85.9	Confident	84	Confident	146 Å²	146	76.2 Å²	76.2	55%	0.551	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-66.7	-14.2	178.4	78	-172.9	-171.6	-175.2	-0	114	S400 L401 R436	S400-R403 WeakPolarHBondContact O-CG 3.5Å; L401-R403 PolarHBondContact O-N 2.76Å; L401-R403 VanDerWaalsContact O-N 3.1Å; R403-R436 VanDerWaalsContact NH2-CZ 3.33Å
404	Y	89.5	Confident	84.4	Confident	31 Å²	31	76.2 Å²	76.2	12%	0.122	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-106.4	5	178	-59.5	-70.2	0	0	0	112.5	I379 L401 I402 H406 F423 F432 R436	I379-Y404 VanDerWaalsContact O-O 3.1Å; L401-Y404 HydrophobicContact CD2-CD2 4.21Å; L401-Y404 WeakPolarHBondContact O-CA 3.37Å; L401-Y404 WeakPolarHBondContact O-CB 3.49Å; L401-Y404 PolarHBondContact O-N 3.13Å; I402-Y404 PolarHBondContact O-N 3.14Å; I402-Y404 VanDerWaalsContact O-N 3.17Å; Y404-H406 PolarHBondContact O-N 3.44Å; Y404-F423 AromaticContact CD1-CZ 3.86Å; Y404-F423 HydrophobicContact CD1-CZ 3.86Å; Y404-F423 HydrophobicContact CE1-CZ 4.08Å; Y404-F432 AromaticContact CD1-CE2 3.92Å; Y404-F432 HydrophobicContact CD1-CE2 3.92Å; Y404-F432 AromaticContact CD2-CE2 3.78Å; Y404-F432 HydrophobicContact CD2-CE2 3.78Å; Y404-F432 HydrophobicContact CD2-CZ 4.36Å; Y404-F432 HydrophobicContact CE1-CE2 4.14Å; Y404-F432 HydrophobicContact CE2-CE2 4.01Å; Y404-F432 AromaticContact CG-CE2 3.71Å; Y404-F432 HydrophobicContact CG-CE2 3.71Å; Y404-F432 HydrophobicContact CG-CZ 4.28Å; Y404-R436 HydrophobicContact CE2-CG 3.97Å; Y404-R436 PolarHBondContact OH-NE 3.19Å
405	N	88.8	Confident	85	Confident	13 Å²	13	73.4 Å²	73.4	7%	0.07	36%	0.357	C	S	.	.			trans	-72.2	113.1	-175.2	-174.4	16.4	0	0	0	111.3	S380 L381 L401 I402 E407	S380-N405 WeakPolarHBondContact CA-OD1 3.31Å; L381-N405 HydrophobicContact CB-CB 4.36Å; L381-N405 PolarHBondContact N-OD1 3.07Å; L381-N405 PolarHBondContact O-ND2 2.78Å; L381-N405 PolarHBondContact O-OD1 2.85Å; L401-N405 PolarHBondContact O-N 3.38Å; I402-N405 WeakPolarHBondContact O-CB 3.29Å; I402-N405 PolarHBondContact O-N 3.31Å; I402-N405 VanDerWaalsContact O-N 3.1Å; N405-E407 VanDerWaalsContact C-N 3.27Å; N405-E407 PolarHBondContact O-N 2.86Å; N405-E407 WeakPolarHBondContact OD1-CB 3.34Å; N405-E407 PolarHBondContact OD1-N 3.12Å
406	H	90.4	Very high	85.5	Confident	29 Å²	29	82 Å²	82	13%	0.134	39%	0.389	C	S	.	.			trans	-91.9	35.7	178.6	-156.6	-179.4	0	0	0	112.8	I379 S380 Y404 W414 L421 E422	I379-H406 PolarHBondContact O-N 3.47Å; S380-H406 PolarHBondContact OG-O 3.14Å; Y404-H406 PolarHBondContact O-N 3.44Å; H406-W414 AromaticContact CD2-CD2 3.74Å; H406-W414 AromaticContact CD2-CE2 3.58Å; H406-W414 AromaticContact CD2-CE3 3.68Å; H406-W414 AromaticContact CD2-CH2 3.42Å; H406-W414 VanDerWaalsContact CD2-CH2 3.42Å; H406-W414 WeakPolarHBondContact CD2-CH2 3.29Å; H406-W414 AromaticContact CD2-CZ2 3.46Å; H406-W414 VanDerWaalsContact CD2-CZ2 3.46Å; H406-W414 WeakPolarHBondContact CD2-CZ2 3.49Å; H406-W414 AromaticContact CD2-CZ3 3.53Å; H406-W414 AromaticContact NE2-CE3 3.69Å; H406-W414 AromaticContact NE2-CH2 3.29Å; H406-W414 VanDerWaalsContact NE2-CH2 3.29Å; H406-W414 WeakPolarHBondContact NE2-CH2 3.48Å; H406-W414 AromaticContact NE2-CZ2 3.86Å; H406-W414 AromaticContact NE2-CZ3 3.18Å; H406-W414 WeakPolarHBondContact NE2-CZ3 3.33Å; H406-L421 HydrophobicContact CB-CD1 4.14Å; H406-E422 IonicContact CE1-OE1 3.98Å
407	E	85.5	Confident	85.8	Confident	46 Å²	46	81 Å²	81	22%	0.215	38%	0.381	C	S	.	.			trans	-72.9	126.2	-179.4	-177.9	59.7	-123.8	0	0	111.6	N405 L409 N410 W414	N405-E407 VanDerWaalsContact C-N 3.27Å; N405-E407 PolarHBondContact O-N 2.86Å; N405-E407 WeakPolarHBondContact OD1-CB 3.34Å; N405-E407 PolarHBondContact OD1-N 3.12Å; E407-L409 VanDerWaalsContact C-N 3.26Å; E407-L409 HydrophobicContact CG-CB 4.1Å; E407-L409 PolarHBondContact O-N 3.17Å; E407-N410 PolarHBondContact O-N 3.07Å; E407-W414 PolarHBondContact O-NE1 2.9Å
408	L	84.2	Confident	85.9	Confident	127 Å²	127	83 Å²	83	67%	0.665	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-61.9	-32.8	-176.6	-68.9	176.9	0	0	0	112.9	N410 I411 W414	L408-N410 PolarHBondContact O-N 2.95Å; L408-N410 VanDerWaalsContact O-N 3.09Å; L408-I411 PolarHBondContact O-N 3.44Å; L408-W414 HydrophobicContact CD2-CH2 4.37Å; L408-W414 HydrophobicContact CD2-CZ2 4.24Å
409	L	82.2	Confident	85.9	Confident	132 Å²	132	89.9 Å²	89.9	69%	0.691	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-61.6	-17.5	174.8	-63.3	176	0	0	0	113.1	E407	E407-L409 VanDerWaalsContact C-N 3.26Å; E407-L409 HydrophobicContact CG-CB 4.1Å; E407-L409 PolarHBondContact O-N 3.17Å
410	N	79.2	Confident	86	Confident	78 Å²	78	87 Å²	87	42%	0.417	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-114.2	26.4	-179.7	-58.7	-50.8	0	0	0	112.3	E407 L408 E412 S413 W414	E407-N410 PolarHBondContact O-N 3.07Å; L408-N410 PolarHBondContact O-N 2.95Å; L408-N410 VanDerWaalsContact O-N 3.09Å; N410-E412 PolarHBondContact O-N 3.14Å; N410-E412 VanDerWaalsContact O-N 3.12Å; N410-S413 VanDerWaalsContact O-CB 3.29Å; N410-S413 WeakPolarHBondContact O-CB 3.2Å; N410-S413 PolarHBondContact O-N 3.25Å; N410-S413 PolarHBondContact O-OG 2.86Å; N410-W414 PolarHBondContact O-NE1 2.68Å
411	I	84.6	Confident	86.2	Confident	69 Å²	69	84.2 Å²	84.2	35%	0.354	40%	0.401	S	S	.	.	H	α-helix	trans	-51.2	-39.6	-175.2	-167.9	160.4	0	0	0	113.6	L408 S413 W414 Q415	L408-I411 PolarHBondContact O-N 3.44Å; I411-S413 PolarHBondContact O-N 3.5Å; I411-S413 VanDerWaalsContact O-N 3.12Å; I411-W414 HydrophobicContact CB-CH2 4.32Å; I411-W414 HydrophobicContact CB-CZ2 3.9Å; I411-W414 HydrophobicContact CD1-CH2 3.95Å; I411-W414 HydrophobicContact CD1-CZ2 4.34Å; I411-W414 HydrophobicContact CG1-CH2 3.68Å; I411-W414 HydrophobicContact CG1-CZ2 3.78Å; I411-W414 HydrophobicContact CG1-CZ3 4.13Å; I411-W414 PolarHBondContact O-N 2.85Å; I411-W414 VanDerWaalsContact O-N 3.15Å; I411-Q415 HydrophobicContact CG1-CB 4.18Å; I411-Q415 VanDerWaalsContact O-CB 3.22Å; I411-Q415 WeakPolarHBondContact O-CB 3.34Å; I411-Q415 WeakPolarHBondContact O-CG 3.35Å; I411-Q415 PolarHBondContact O-N 2.9Å
412	E	85.5	Confident	86.4	Confident	163 Å²	163	87.8 Å²	87.8	76%	0.762	42%	0.418	S	S	*	.	H	α-helix	trans	-58.3	-29.1	177.9	-62.5	-177	172.9	0	0	113	N410	N410-E412 PolarHBondContact O-N 3.14Å; N410-E412 VanDerWaalsContact O-N 3.12Å
413	S	80.9	Confident	86.9	Confident	86 Å²	86	86.1 Å²	86.1	60%	0.601	41%	0.408	S	S	*	.	H	α-helix	trans	-77.4	-23.3	-177.6	75.7	0	0	0	0	113.9	N410 I411	N410-S413 VanDerWaalsContact O-CB 3.29Å; N410-S413 WeakPolarHBondContact O-CB 3.2Å; N410-S413 PolarHBondContact O-N 3.25Å; N410-S413 PolarHBondContact O-OG 2.86Å; I411-S413 PolarHBondContact O-N 3.5Å; I411-S413 VanDerWaalsContact O-N 3.12Å
414	W	85.1	Confident	87.4	Confident	13 Å²	13	82.3 Å²	82.3	5%	0.049	40%	0.404	C	S	.	.	H	α-helix	trans	-131.2	-8.8	-173.2	56.7	-108.7	0	0	0	115.3	H406 E407 L408 N410 I411 Y416 R417 R418 L421	H406-W414 AromaticContact CD2-CD2 3.74Å; H406-W414 AromaticContact CD2-CE2 3.58Å; H406-W414 AromaticContact CD2-CE3 3.68Å; H406-W414 AromaticContact CD2-CH2 3.42Å; H406-W414 VanDerWaalsContact CD2-CH2 3.42Å; H406-W414 WeakPolarHBondContact CD2-CH2 3.29Å; H406-W414 AromaticContact CD2-CZ2 3.46Å; H406-W414 VanDerWaalsContact CD2-CZ2 3.46Å; H406-W414 WeakPolarHBondContact CD2-CZ2 3.49Å; H406-W414 AromaticContact CD2-CZ3 3.53Å; H406-W414 AromaticContact NE2-CE3 3.69Å; H406-W414 AromaticContact NE2-CH2 3.29Å; H406-W414 VanDerWaalsContact NE2-CH2 3.29Å; H406-W414 WeakPolarHBondContact NE2-CH2 3.48Å; H406-W414 AromaticContact NE2-CZ2 3.86Å; H406-W414 AromaticContact NE2-CZ3 3.18Å; H406-W414 WeakPolarHBondContact NE2-CZ3 3.33Å; E407-W414 PolarHBondContact O-NE1 2.9Å; L408-W414 HydrophobicContact CD2-CH2 4.37Å; L408-W414 HydrophobicContact CD2-CZ2 4.24Å; N410-W414 PolarHBondContact O-NE1 2.68Å; I411-W414 HydrophobicContact CB-CH2 4.32Å; I411-W414 HydrophobicContact CB-CZ2 3.9Å; I411-W414 HydrophobicContact CD1-CH2 3.95Å; I411-W414 HydrophobicContact CD1-CZ2 4.34Å; I411-W414 HydrophobicContact CG1-CH2 3.68Å; I411-W414 HydrophobicContact CG1-CZ2 3.78Å; I411-W414 HydrophobicContact CG1-CZ3 4.13Å; I411-W414 PolarHBondContact O-N 2.85Å; I411-W414 VanDerWaalsContact O-N 3.15Å; W414-Y416 PolarHBondContact O-N 2.85Å; W414-R417 CarbonylContact O-C 3.42Å; W414-R417 VanDerWaalsContact O-C 3.32Å; W414-R417 WeakPolarHBondContact O-CA 3.22Å; W414-R417 PolarHBondContact O-N 2.98Å; W414-R418 PolarHBondContact O-N 3.38Å; W414-R418 VanDerWaalsContact O-N 3.14Å; W414-L421 HydrophobicContact CB-CD1 3.41Å; W414-L421 VanDerWaalsContact CB-CD1 3.41Å; W414-L421 HydrophobicContact CB-CG 4.45Å; W414-L421 HydrophobicContact CD2-CD1 3.97Å; W414-L421 HydrophobicContact CE3-CD1 4.24Å; W414-L421 HydrophobicContact CG-CD1 3.61Å
415	Q	87.5	Confident	87.8	Confident	78 Å²	78	81.2 Å²	81.2	36%	0.364	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-52.7	-33.8	-178.2	61.3	-176.7	-5.3	0	0	113.7	I411 R417	I411-Q415 HydrophobicContact CG1-CB 4.18Å; I411-Q415 VanDerWaalsContact O-CB 3.22Å; I411-Q415 WeakPolarHBondContact O-CB 3.34Å; I411-Q415 WeakPolarHBondContact O-CG 3.35Å; I411-Q415 PolarHBondContact O-N 2.9Å; Q415-R417 VanDerWaalsContact C-N 3.32Å
416	Y	88.2	Confident	88.2	Confident	200 Å²	200	82 Å²	82	78%	0.784	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-83.9	-4	179.1	-56.8	-66.9	0	0	0	114.1	W414	W414-Y416 PolarHBondContact O-N 2.85Å
417	R	88	Confident	88.6	Confident	164 Å²	164	86.8 Å²	86.8	62%	0.619	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-136.4	31.5	-179.4	-59.5	-153	-61.7	-116.6	-0.5	112.2	W414 Q415 D419 C420	W414-R417 CarbonylContact O-C 3.42Å; W414-R417 VanDerWaalsContact O-C 3.32Å; W414-R417 WeakPolarHBondContact O-CA 3.22Å; W414-R417 PolarHBondContact O-N 2.98Å; Q415-R417 VanDerWaalsContact C-N 3.32Å; R417-D419 PolarHBondContact O-N 2.9Å; R417-C420 HydrophobicContact CB-CB 4.39Å; R417-C420 WeakPolarHBondContact O-CB 3.43Å; R417-C420 PolarHBondContact O-N 2.78Å
418	R	85.7	Confident	89.1	Confident	111 Å²	111	86.9 Å²	86.9	42%	0.419	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-54.4	-41.7	179.5	-174.5	-178.8	-64.8	-173.2	-3.9	112.1	W414 C420 L421 E422	W414-R418 PolarHBondContact O-N 3.38Å; W414-R418 VanDerWaalsContact O-N 3.14Å; R418-C420 PolarHBondContact O-N 2.82Å; R418-L421 WeakPolarHBondContact O-CA 3.39Å; R418-L421 WeakPolarHBondContact O-CB 3.45Å; R418-L421 PolarHBondContact O-N 3.22Å; R418-E422 WeakPolarHBondContact CD-OE1 3.21Å; R418-E422 HydrophobicContact CG-CG 4.49Å; R418-E422 WeakPolarHBondContact CG-OE1 3.49Å; R418-E422 PolarHBondContact O-N 3.21Å
419	D	87	Confident	89.8	Confident	145 Å²	145	80.9 Å²	80.9	78%	0.775	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-60.4	-18	177.8	-50.7	-14.4	0	0	0	113.5	R417	R417-D419 PolarHBondContact O-N 2.9Å
420	C	87.3	Confident	90.5	Very high	75 Å²	75	74.8 Å²	74.8	51%	0.507	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-90	-6.4	174.7	-61.2	0	0	0	0	113.5	R417 R418	R417-C420 HydrophobicContact CB-CB 4.39Å; R417-C420 WeakPolarHBondContact O-CB 3.43Å; R417-C420 PolarHBondContact O-N 2.78Å; R418-C420 PolarHBondContact O-N 2.82Å
421	L	90.6	Very high	91.4	Very high	5 Å²	5	74.5 Å²	74.5	3%	0.026	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-20.7	-179.1	-59.2	-165.4	0	0	0	113	H406 W414 R418	H406-L421 HydrophobicContact CB-CD1 4.14Å; W414-L421 HydrophobicContact CB-CD1 3.41Å; W414-L421 VanDerWaalsContact CB-CD1 3.41Å; W414-L421 HydrophobicContact CB-CG 4.45Å; W414-L421 HydrophobicContact CD2-CD1 3.97Å; W414-L421 HydrophobicContact CE3-CD1 4.24Å; W414-L421 HydrophobicContact CG-CD1 3.61Å; R418-L421 WeakPolarHBondContact O-CA 3.39Å; R418-L421 WeakPolarHBondContact O-CB 3.45Å; R418-L421 PolarHBondContact O-N 3.22Å
422	E	92.9	Very high	91.9	Very high	76 Å²	76	71.5 Å²	71.5	36%	0.355	36%	0.361	S	S	.	.			trans	-98.1	113.4	175.8	-68.7	174.2	-168.2	0	0	109.1	T378 H406 R418	T378-E422 HydrophobicContact CG2-CG 3.86Å; H406-E422 IonicContact CE1-OE1 3.98Å; R418-E422 WeakPolarHBondContact CD-OE1 3.21Å; R418-E422 HydrophobicContact CG-CG 4.49Å; R418-E422 WeakPolarHBondContact CG-OE1 3.49Å; R418-E422 PolarHBondContact O-N 3.21Å
423	F	96.1	Very high	92.4	Very high	22 Å²	22	63.9 Å²	63.9	10%	0.096	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.6	177.9	-55.8	-83.9	0	0	0	108.9	L376 L377 Y404 I429 F432	L376-F423 CarbonylContact C-O 3.55Å; L376-F423 WeakPolarHBondContact CA-O 3.37Å; L377-F423 HydrophobicContact CB-CB 4.23Å; L377-F423 HydrophobicContact CD2-CD2 4.23Å; L377-F423 HydrophobicContact CG-CD2 4.41Å; L377-F423 PolarHBondContact N-O 3.39Å; L377-F423 PolarHBondContact O-N 2.93Å; Y404-F423 AromaticContact CD1-CZ 3.86Å; Y404-F423 HydrophobicContact CD1-CZ 3.86Å; Y404-F423 HydrophobicContact CE1-CZ 4.08Å; F423-I429 HydrophobicContact CB-CG1 4.09Å; F423-I429 WeakPolarHBondContact O-CG1 3.27Å; F423-F432 HydrophobicContact CD1-CB 3.82Å; F423-F432 HydrophobicContact CD1-CD2 4.13Å; F423-F432 HydrophobicContact CD1-CG 4.1Å; F423-F432 HydrophobicContact CD2-CB 4.39Å; F423-F432 HydrophobicContact CD2-CD1 4.31Å; F423-F432 HydrophobicContact CD2-CD2 4.24Å; F423-F432 HydrophobicContact CD2-CG 4.04Å; F423-F432 HydrophobicContact CE1-CB 3.91Å; F423-F432 AromaticContact CE1-CD2 3.37Å; F423-F432 HydrophobicContact CE1-CD2 3.37Å; F423-F432 HydrophobicContact CE1-CE2 4.13Å; F423-F432 AromaticContact CE1-CG 3.82Å; F423-F432 HydrophobicContact CE1-CG 3.82Å; F423-F432 HydrophobicContact CE2-CB 4.47Å; F423-F432 HydrophobicContact CE2-CD1 4.11Å; F423-F432 AromaticContact CE2-CD2 3.51Å; F423-F432 HydrophobicContact CE2-CD2 3.51Å; F423-F432 HydrophobicContact CE2-CE1 4.24Å; F423-F432 AromaticContact CE2-CE2 3.62Å; F423-F432 HydrophobicContact CE2-CE2 3.62Å; F423-F432 AromaticContact CE2-CG 3.75Å; F423-F432 HydrophobicContact CE2-CG 3.75Å; F423-F432 AromaticContact CE2-CZ 4Å; F423-F432 HydrophobicContact CE2-CZ 4Å; F423-F432 HydrophobicContact CG-CB 4.1Å; F423-F432 HydrophobicContact CG-CG 4.23Å; F423-F432 HydrophobicContact CZ-CB 4.26Å; F423-F432 HydrophobicContact CZ-CD1 4.43Å; F423-F432 AromaticContact CZ-CD2 3.03Å; F423-F432 HydrophobicContact CZ-CD2 3.03Å; F423-F432 AromaticContact CZ-CE2 3.32Å; F423-F432 HydrophobicContact CZ-CE2 3.32Å; F423-F432 AromaticContact CZ-CG 3.66Å; F423-F432 HydrophobicContact CZ-CG 3.66Å; F423-F432 HydrophobicContact CZ-CZ 4.16Å
424	S	96.1	Very high	93.2	Very high	66 Å²	66	62.4 Å²	62.4	46%	0.462	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.8	-177	-177.3	0	0	0	0	112.7	S375 S428	S375-S424 CarbonylContact O-C 3.5Å; S375-S424 WeakPolarHBondContact O-CA 3.48Å; S424-S428 WeakPolarHBondContact O-CB 3.4Å
425	G	97.9	Very high	93.6	Very high	8 Å²	8	65.5 Å²	65.5	8%	0.082	32%	0.323	C	S	.	.	S	Bend	trans	77.1	149.6	-176.7	0	0	0	0	0	112.6	A372 E373 S375 M427 S428 I429	A372-G425 WeakPolarHBondContact O-CA 3.31Å; E373-G425 WeakPolarHBondContact O-CA 3.47Å; S375-G425 PolarHBondContact O-N 3.27Å; G425-M427 PolarHBondContact O-N 3.11Å; G425-M427 VanDerWaalsContact O-N 3.13Å; G425-S428 PolarHBondContact O-N 3.36Å; G425-S428 VanDerWaalsContact O-N 3.14Å; G425-I429 WeakPolarHBondContact O-CG1 3.42Å; G425-I429 PolarHBondContact O-N 2.85Å; G425-I429 VanDerWaalsContact O-N 3.16Å
426	N	98.2	Very high	93.9	Very high	29 Å²	29	66.8 Å²	66.8	16%	0.155	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-35.2	-172	66.9	6.5	0	0	0	112.6	M367 A372 S375 S428 I429 I430	M367-N426 HydrophobicContact CG-CB 4.1Å; M367-N426 VanDerWaalsContact CG-ND2 3.34Å; M367-N426 WeakPolarHBondContact CG-ND2 3.27Å; M367-N426 PolarHBondContact O-ND2 3.32Å; A372-N426 PolarHBondContact O-N 2.89Å; A372-N426 PolarHBondContact O-OD1 3.28Å; S375-N426 PolarHBondContact OG-N 3.08Å; N426-S428 PolarHBondContact O-N 3.17Å; N426-I429 PolarHBondContact O-N 2.71Å; N426-I430 WeakPolarHBondContact O-CB 3.44Å; N426-I430 VanDerWaalsContact O-CG1 3.23Å; N426-I430 WeakPolarHBondContact O-CG1 3.35Å; N426-I430 PolarHBondContact O-N 3.22Å
427	M	97.5	Very high	94.1	Very high	129 Å²	129	57.3 Å²	57.3	64%	0.635	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-43.7	-179.4	-175.4	60.7	174.6	0	0	112	M367 G425 C431	M367-M427 HydrophobicContact CE-SD 3.54Å; M367-M427 VanDerWaalsContact CE-SD 3.54Å; G425-M427 PolarHBondContact O-N 3.11Å; G425-M427 VanDerWaalsContact O-N 3.13Å; M427-C431 WeakPolarHBondContact O-CB 3.37Å; M427-C431 PolarHBondContact O-N 2.88Å
428	S	97	Very high	94.2	Very high	49 Å²	49	49.9 Å²	49.9	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-45.7	178.4	-170	0	0	0	0	110.9	S424 G425 N426 C431 F432	S424-S428 WeakPolarHBondContact O-CB 3.4Å; G425-S428 PolarHBondContact O-N 3.36Å; G425-S428 VanDerWaalsContact O-N 3.14Å; N426-S428 PolarHBondContact O-N 3.17Å; S428-C431 PolarHBondContact O-N 3.5Å; S428-F432 PolarHBondContact O-N 2.88Å
429	I	98.4	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-53.3	177.3	-65.3	178.5	0	0	0	110.4	Y370 S375 L377 F423 G425 N426 C431 F432 L433	Y370-I429 HydrophobicContact CD1-CD1 3.77Å; Y370-I429 HydrophobicContact CD1-CG2 4.05Å; Y370-I429 HydrophobicContact CD2-CG2 4.36Å; Y370-I429 HydrophobicContact CE1-CD1 4.17Å; Y370-I429 HydrophobicContact CE1-CG2 3.77Å; Y370-I429 HydrophobicContact CE2-CG2 4.1Å; Y370-I429 HydrophobicContact CG-CD1 4.42Å; Y370-I429 HydrophobicContact CG-CG2 4.35Å; S375-I429 VanDerWaalsContact OG-CD1 3.3Å; S375-I429 WeakPolarHBondContact OG-CD1 3.34Å; L377-I429 HydrophobicContact CB-CB 4.37Å; L377-I429 HydrophobicContact CB-CD1 4.04Å; L377-I429 HydrophobicContact CB-CG1 3.74Å; L377-I429 HydrophobicContact CB-CG2 3.99Å; L377-I429 HydrophobicContact CD2-CG2 3.99Å; F423-I429 HydrophobicContact CB-CG1 4.09Å; F423-I429 WeakPolarHBondContact O-CG1 3.27Å; G425-I429 WeakPolarHBondContact O-CG1 3.42Å; G425-I429 PolarHBondContact O-N 2.85Å; G425-I429 VanDerWaalsContact O-N 3.16Å; N426-I429 PolarHBondContact O-N 2.71Å; I429-C431 PolarHBondContact O-N 3.25Å; I429-F432 WeakPolarHBondContact O-CB 3.28Å; I429-F432 PolarHBondContact O-N 3.17Å; I429-F432 VanDerWaalsContact O-N 3.13Å; I429-L433 HydrophobicContact CG2-CD1 3.97Å; I429-L433 HydrophobicContact CG2-CG 4.28Å; I429-L433 WeakPolarHBondContact O-CG 3.3Å; I429-L433 PolarHBondContact O-N 3.17Å
430	I	97.9	Very high	94.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-38	-177.7	-66.3	-39	0	0	0	111.7	L366 M367 Y370 N426 F432 L433 K434	L366-I430 HydrophobicContact CB-CD1 3.57Å; M367-I430 HydrophobicContact CB-CG1 3.91Å; M367-I430 HydrophobicContact CE-CB 4.44Å; M367-I430 HydrophobicContact CE-CG2 4.45Å; M367-I430 HydrophobicContact CG-CG1 4.47Å; Y370-I430 HydrophobicContact CD2-CD1 3.97Å; Y370-I430 HydrophobicContact CE2-CD1 3.94Å; N426-I430 WeakPolarHBondContact O-CB 3.44Å; N426-I430 VanDerWaalsContact O-CG1 3.23Å; N426-I430 WeakPolarHBondContact O-CG1 3.35Å; N426-I430 PolarHBondContact O-N 3.22Å; I430-F432 VanDerWaalsContact C-N 3.26Å; I430-F432 PolarHBondContact O-N 3.05Å; I430-L433 HydrophobicContact CD1-CD1 4.13Å; I430-L433 PolarHBondContact O-N 3.39Å; I430-K434 WeakPolarHBondContact O-CB 3.28Å; I430-K434 PolarHBondContact O-N 2.92Å
431	C	96.9	Very high	95.3	Very high	72 Å²	72	42.6 Å²	42.6	49%	0.486	22%	0.217	S	C	.	.	H	α-helix	trans	-57.8	-43.2	172.4	-174.8	0	0	0	0	110.8	M427 S428 I429 E435	M427-C431 WeakPolarHBondContact O-CB 3.37Å; M427-C431 PolarHBondContact O-N 2.88Å; S428-C431 PolarHBondContact O-N 3.5Å; I429-C431 PolarHBondContact O-N 3.25Å; C431-E435 VanDerWaalsContact O-CB 3.24Å; C431-E435 WeakPolarHBondContact O-CB 3.31Å; C431-E435 WeakPolarHBondContact O-CG 3.43Å; C431-E435 PolarHBondContact O-N 2.93Å
432	F	96	Very high	95.6	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-51.4	176.7	178.4	-90.3	0	0	0	112.9	L377 I379 L401 Y404 F423 S428 I429 I430 K434 E435 R436 I437	L377-F432 HydrophobicContact CD2-CD1 3.61Å; L377-F432 HydrophobicContact CD2-CE1 4.18Å; L377-F432 HydrophobicContact CD2-CG 4.47Å; I379-F432 HydrophobicContact CD1-CE1 4.05Å; I379-F432 HydrophobicContact CG1-CD1 4.49Å; I379-F432 HydrophobicContact CG1-CE1 3.46Å; I379-F432 VanDerWaalsContact CG1-CE1 3.46Å; I379-F432 HydrophobicContact CG1-CZ 3.77Å; L401-F432 HydrophobicContact CD2-CZ 4.17Å; Y404-F432 AromaticContact CD1-CE2 3.92Å; Y404-F432 HydrophobicContact CD1-CE2 3.92Å; Y404-F432 AromaticContact CD2-CE2 3.78Å; Y404-F432 HydrophobicContact CD2-CE2 3.78Å; Y404-F432 HydrophobicContact CD2-CZ 4.36Å; Y404-F432 HydrophobicContact CE1-CE2 4.14Å; Y404-F432 HydrophobicContact CE2-CE2 4.01Å; Y404-F432 AromaticContact CG-CE2 3.71Å; Y404-F432 HydrophobicContact CG-CE2 3.71Å; Y404-F432 HydrophobicContact CG-CZ 4.28Å; F423-F432 HydrophobicContact CD1-CB 3.82Å; F423-F432 HydrophobicContact CD1-CD2 4.13Å; F423-F432 HydrophobicContact CD1-CG 4.1Å; F423-F432 HydrophobicContact CD2-CB 4.39Å; F423-F432 HydrophobicContact CD2-CD1 4.31Å; F423-F432 HydrophobicContact CD2-CD2 4.24Å; F423-F432 HydrophobicContact CD2-CG 4.04Å; F423-F432 HydrophobicContact CE1-CB 3.91Å; F423-F432 AromaticContact CE1-CD2 3.37Å; F423-F432 HydrophobicContact CE1-CD2 3.37Å; F423-F432 HydrophobicContact CE1-CE2 4.13Å; F423-F432 AromaticContact CE1-CG 3.82Å; F423-F432 HydrophobicContact CE1-CG 3.82Å; F423-F432 HydrophobicContact CE2-CB 4.47Å; F423-F432 HydrophobicContact CE2-CD1 4.11Å; F423-F432 AromaticContact CE2-CD2 3.51Å; F423-F432 HydrophobicContact CE2-CD2 3.51Å; F423-F432 HydrophobicContact CE2-CE1 4.24Å; F423-F432 AromaticContact CE2-CE2 3.62Å; F423-F432 HydrophobicContact CE2-CE2 3.62Å; F423-F432 AromaticContact CE2-CG 3.75Å; F423-F432 HydrophobicContact CE2-CG 3.75Å; F423-F432 AromaticContact CE2-CZ 4Å; F423-F432 HydrophobicContact CE2-CZ 4Å; F423-F432 HydrophobicContact CG-CB 4.1Å; F423-F432 HydrophobicContact CG-CG 4.23Å; F423-F432 HydrophobicContact CZ-CB 4.26Å; F423-F432 HydrophobicContact CZ-CD1 4.43Å; F423-F432 AromaticContact CZ-CD2 3.03Å; F423-F432 HydrophobicContact CZ-CD2 3.03Å; F423-F432 AromaticContact CZ-CE2 3.32Å; F423-F432 HydrophobicContact CZ-CE2 3.32Å; F423-F432 AromaticContact CZ-CG 3.66Å; F423-F432 HydrophobicContact CZ-CG 3.66Å; F423-F432 HydrophobicContact CZ-CZ 4.16Å; S428-F432 PolarHBondContact O-N 2.88Å; I429-F432 WeakPolarHBondContact O-CB 3.28Å; I429-F432 PolarHBondContact O-N 3.17Å; I429-F432 VanDerWaalsContact O-N 3.13Å; I430-F432 VanDerWaalsContact C-N 3.26Å; I430-F432 PolarHBondContact O-N 3.05Å; F432-K434 VanDerWaalsContact C-N 3.28Å; F432-K434 PolarHBondContact O-N 3.04Å; F432-E435 PolarHBondContact O-N 3.11Å; F432-R436 HydrophobicContact CD2-CB 3.82Å; F432-R436 HydrophobicContact CD2-CG 3.53Å; F432-R436 HydrophobicContact CE1-CB 4.43Å; F432-R436 HydrophobicContact CE2-CB 3.63Å; F432-R436 HydrophobicContact CE2-CG 3.65Å; F432-R436 HydrophobicContact CG-CB 4.35Å; F432-R436 HydrophobicContact CG-CG 4.32Å; F432-R436 HydrophobicContact CZ-CB 3.96Å; F432-R436 HydrophobicContact CZ-CG 4.48Å; F432-R436 WeakPolarHBondContact O-CB 3.38Å; F432-R436 PolarHBondContact O-N 2.8Å; F432-I437 HydrophobicContact CD1-CG1 4.48Å; F432-I437 HydrophobicContact CE1-CD1 3.8Å; F432-I437 HydrophobicContact CE1-CG1 4Å; F432-I437 HydrophobicContact CZ-CD1 4.3Å
433	L	96.3	Very high	95.8	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-39.4	179.7	-69.1	-177.3	0	0	0	111.8	F356 R363 Y370 L377 I429 I430 I437	F356-L433 HydrophobicContact CE2-CD1 4.26Å; F356-L433 HydrophobicContact CE2-CD2 4.06Å; R363-L433 PolarHBondContact NH1-O 3.09Å; Y370-L433 HydrophobicContact CE2-CD1 4.3Å; L377-L433 HydrophobicContact CD2-CD2 3.72Å; L377-L433 HydrophobicContact CD2-CG 3.99Å; I429-L433 HydrophobicContact CG2-CD1 3.97Å; I429-L433 HydrophobicContact CG2-CG 4.28Å; I429-L433 WeakPolarHBondContact O-CG 3.3Å; I429-L433 PolarHBondContact O-N 3.17Å; I430-L433 HydrophobicContact CD1-CD1 4.13Å; I430-L433 PolarHBondContact O-N 3.39Å; L433-I437 HydrophobicContact CD2-CG1 3.96Å; L433-I437 WeakPolarHBondContact O-CB 3.41Å
434	K	95.8	Very high	95.7	Very high	56 Å²	56	44.8 Å²	44.8	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-64.9	171.4	179.6	165.8	172.3	-80.1	0	109.1	K360 R363 V364 I430 F432	K360-K434 WeakPolarHBondContact CE-O 3.41Å; K360-K434 HydrophobicContact CG-CG 4.41Å; R363-K434 HydrophobicContact CB-CB 4.38Å; V364-K434 HydrophobicContact CG2-CD 3.74Å; I430-K434 WeakPolarHBondContact O-CB 3.28Å; I430-K434 PolarHBondContact O-N 2.92Å; F432-K434 VanDerWaalsContact C-N 3.28Å; F432-K434 PolarHBondContact O-N 3.04Å
435	E	94.3	Very high	95.5	Very high	77 Å²	77	47 Å²	47	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-74.3	-33.8	-164.3	-66.2	-54.1	141.7	0	0	115.3	K360 C431 F432	K360-E435 PolarHBondContact NZ-O 3.2Å; K360-E435 VanDerWaalsContact NZ-O 3.1Å; C431-E435 VanDerWaalsContact O-CB 3.24Å; C431-E435 WeakPolarHBondContact O-CB 3.31Å; C431-E435 WeakPolarHBondContact O-CG 3.43Å; C431-E435 PolarHBondContact O-N 2.93Å; F432-E435 PolarHBondContact O-N 3.11Å
436	R	92.8	Very high	95.4	Very high	106 Å²	106	46.6 Å²	46.6	40%	0.4	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-39.9	-168.6	-57.3	-55	-177.9	-149.5	-6.1	113.8	L401 R403 Y404 F432 P438	L401-R436 HydrophobicContact CD2-CB 3.79Å; L401-R436 WeakPolarHBondContact CD2-O 3.41Å; R403-R436 VanDerWaalsContact NH2-CZ 3.33Å; Y404-R436 HydrophobicContact CE2-CG 3.97Å; Y404-R436 PolarHBondContact OH-NE 3.19Å; F432-R436 HydrophobicContact CD2-CB 3.82Å; F432-R436 HydrophobicContact CD2-CG 3.53Å; F432-R436 HydrophobicContact CE1-CB 4.43Å; F432-R436 HydrophobicContact CE2-CB 3.63Å; F432-R436 HydrophobicContact CE2-CG 3.65Å; F432-R436 HydrophobicContact CG-CB 4.35Å; F432-R436 HydrophobicContact CG-CG 4.32Å; F432-R436 HydrophobicContact CZ-CB 3.96Å; F432-R436 HydrophobicContact CZ-CG 4.48Å; F432-R436 WeakPolarHBondContact O-CB 3.38Å; F432-R436 PolarHBondContact O-N 2.8Å; R436-P438 WeakPolarHBondContact O-CD 3.46Å
437	I	93	Very high	95.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.23	C	C	.	.	S	Bend	trans	-73.8	127	-179.9	-57	-60.1	0	0	0	109.7	F356 R363 L401 F432 L433 F502	F356-I437 HydrophobicContact CE1-CG2 4.29Å; F356-I437 HydrophobicContact CZ-CG2 3.96Å; R363-I437 PolarHBondContact NH1-O 3.13Å; L401-I437 HydrophobicContact CD1-CD1 4.02Å; L401-I437 HydrophobicContact CD2-CD1 4.18Å; F432-I437 HydrophobicContact CD1-CG1 4.48Å; F432-I437 HydrophobicContact CE1-CD1 3.8Å; F432-I437 HydrophobicContact CE1-CG1 4Å; F432-I437 HydrophobicContact CZ-CD1 4.3Å; L433-I437 HydrophobicContact CD2-CG1 3.96Å; L433-I437 WeakPolarHBondContact O-CB 3.41Å; I437-F502 HydrophobicContact CD1-CE2 4.02Å
438	P	91.5	Very high	95.2	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.045	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-57.4	158.5	174.1	-27.8	37.6	0	0	0	113.3	R363 R397 W398 R436 I440	R363-P438 PolarHBondContact NH1-O 2.93Å; R363-P438 PolarHBondContact NH2-O 2.88Å; R397-P438 HydrophobicContact CB-CG 4.09Å; W398-P438 HydrophobicContact CD2-CG 4.27Å; W398-P438 HydrophobicContact CH2-CG 4.43Å; W398-P438 HydrophobicContact CZ2-CB 4.17Å; W398-P438 HydrophobicContact CZ2-CG 3.92Å; R436-P438 WeakPolarHBondContact O-CD 3.46Å; P438-I440 HydrophobicContact CB-CG2 4.38Å; P438-I440 PolarHBondContact O-N 3.5Å
439	E	92.8	Very high	95.1	Very high	70 Å²	70	40 Å²	40	33%	0.327	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-67.7	120.9	164.8	-70.8	166.3	116.7	0	0	108.8	K360	K360-E439 HydrophobicContact CB-CG 3.81Å; K360-E439 HydrophobicContact CG-CG 4.48Å; K360-E439 PolarHBondContact N-OE1 3.36Å
440	I	94.1	Very high	95	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.21	C	C	.	.			trans	-133.5	166.6	-177.7	59	175.2	0	0	0	110.2	F356 W398 P438 H442 F467 K468 D469 F502	F356-I440 HydrophobicContact CE1-CD1 3.98Å; F356-I440 HydrophobicContact CE1-CG1 4.04Å; W398-I440 HydrophobicContact CH2-CG2 4.22Å; W398-I440 HydrophobicContact CZ2-CG2 3.62Å; P438-I440 HydrophobicContact CB-CG2 4.38Å; P438-I440 PolarHBondContact O-N 3.5Å; I440-H442 VanDerWaalsContact CD1-CE1 3.42Å; I440-H442 WeakPolarHBondContact CD1-CE1 3.38Å; I440-F467 HydrophobicContact CB-CD2 3.83Å; I440-F467 HydrophobicContact CB-CE2 4.41Å; I440-F467 HydrophobicContact CD1-CB 4.44Å; I440-F467 HydrophobicContact CD1-CD2 3.73Å; I440-F467 HydrophobicContact CD1-CE2 4.09Å; I440-F467 HydrophobicContact CD1-CG 4.04Å; I440-F467 HydrophobicContact CG1-CD2 4.37Å; I440-F467 HydrophobicContact CG2-CD2 3.76Å; I440-F467 HydrophobicContact CG2-CE2 3.86Å; I440-K468 CarbonylContact C-O 3.57Å; I440-K468 WeakPolarHBondContact CA-O 3.39Å; I440-D469 HydrophobicContact CG2-CB 4.35Å; I440-F502 HydrophobicContact CD1-CE1 4.37Å
441	K	95.4	Very high	94.8	Very high	108 Å²	108	42.9 Å²	42.9	47%	0.47	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	107.9	175.7	-64.9	-61.7	-173.5	-178.8	0	109	D357 F467 K468 P470	D357-K441 HydrophobicContact CB-CD 4.11Å; D357-K441 WeakPolarHBondContact O-CE 3.4Å; D357-K441 PolarHBondContact O-NZ 2.95Å; D357-K441 WeakPolarHBondContact OD2-CA 3.34Å; K441-F467 CarbonylContact O-C 3.2Å; K441-F467 VanDerWaalsContact O-CA 3.25Å; K441-F467 WeakPolarHBondContact O-CA 3.4Å; K441-F467 WeakPolarHBondContact O-CB 3.3Å; K441-K468 PolarHBondContact N-O 2.9Å; K441-K468 PolarHBondContact O-N 3.31Å; K441-P470 HydrophobicContact CG-CG 3.8Å
442	H	97.3	Very high	94.4	Very high	21 Å²	21	43 Å²	43	10%	0.097	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	147.1	171.4	-65.5	90.7	0	0	0	110.7	Y353 F356 D357 I440 F447 F467 F480	Y353-H442 HydrophobicContact CD1-CB 4.48Å; Y353-H442 AromaticContact CD1-CE1 3.67Å; Y353-H442 AromaticContact CD1-CG 3.86Å; Y353-H442 AromaticContact CD1-ND1 3.43Å; Y353-H442 WeakPolarHBondContact CD1-ND1 3.38Å; Y353-H442 AromaticContact CE1-CD2 3.97Å; Y353-H442 AromaticContact CE1-CE1 3.49Å; Y353-H442 VanDerWaalsContact CE1-CE1 3.49Å; Y353-H442 WeakPolarHBondContact CE1-CE1 3.24Å; Y353-H442 AromaticContact CE1-CG 3.98Å; Y353-H442 AromaticContact CE1-ND1 3.7Å; Y353-H442 AromaticContact CE1-NE2 3.69Å; F356-H442 AromaticContact CD1-CE1 3.79Å; F356-H442 AromaticContact CE1-CE1 3.79Å; D357-H442 VanDerWaalsContact CG-ND1 3.35Å; D357-H442 IonicContact OD1-CE1 3.24Å; D357-H442 PolarHBondContact OD1-CE1 3.45Å; D357-H442 IonicContact OD1-CG 3.98Å; D357-H442 IonicContact OD1-ND1 3.75Å; D357-H442 PolarHBondContact OD1-ND1 3.07Å; D357-H442 WeakPolarHBondContact OD2-CB 3.3Å; D357-H442 IonicContact OD2-CG 3.03Å; D357-H442 PolarHBondContact OD2-N 3.38Å; D357-H442 IonicContact OD2-ND1 2.61Å; D357-H442 PolarHBondContact OD2-ND1 3.04Å; I440-H442 VanDerWaalsContact CD1-CE1 3.42Å; I440-H442 WeakPolarHBondContact CD1-CE1 3.38Å; H442-F447 HydrophobicContact CB-CE1 3.82Å; H442-F447 HydrophobicContact CB-CZ 3.67Å; H442-F447 AromaticContact CD2-CZ 4Å; H442-F447 AromaticContact CG-CZ 3.98Å; H442-F467 HydrophobicContact CB-CB 4.46Å; H442-F480 AromaticContact CD2-CD1 3.7Å; H442-F480 AromaticContact CD2-CE1 3.44Å; H442-F480 VanDerWaalsContact CD2-CE1 3.44Å; H442-F480 WeakPolarHBondContact CD2-CE1 3.37Å; H442-F480 AromaticContact CD2-CZ 3.77Å
443	E	95.5	Very high	94.2	Very high	39 Å²	39	47 Å²	47	18%	0.182	24%	0.238	C	C	.	.			trans	-96.4	92.2	171.3	-132.8	175.7	119.6	0	0	107.9	N445 S446 F447 Y466 K468 Y510 M514	E443-N445 VanDerWaalsContact CG-OD1 3.28Å; E443-N445 WeakPolarHBondContact CG-OD1 3.31Å; E443-N445 PolarHBondContact O-N 2.86Å; E443-S446 WeakPolarHBondContact O-CA 3.47Å; E443-S446 VanDerWaalsContact O-CB 3.28Å; E443-S446 WeakPolarHBondContact O-CB 3.36Å; E443-S446 PolarHBondContact O-N 2.86Å; E443-S446 PolarHBondContact O-OG 3.1Å; E443-F447 WeakPolarHBondContact O-CD1 3.47Å; E443-Y466 PolarHBondContact N-O 2.67Å; E443-K468 WeakPolarHBondContact OE2-CE 3.35Å; E443-K468 IonicContact OE2-NZ 3.58Å; E443-K468 PolarHBondContact OE2-NZ 2.83Å; E443-Y510 VanDerWaalsContact CD-OH 3.31Å; E443-Y510 PolarHBondContact OE1-OH 2.93Å; E443-Y510 PolarHBondContact OE2-OH 2.94Å; E443-M514 WeakPolarHBondContact OE1-CE 3.27Å
444	L	94	Very high	93.9	Very high	89 Å²	89	48.2 Å²	48.2	47%	0.466	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-58.2	-32.7	-172.9	-72.2	165.6	0	0	0	113.5	S446 F447	L444-S446 PolarHBondContact O-N 2.92Å; L444-F447 HydrophobicContact CD2-CD2 4.21Å; L444-F447 HydrophobicContact CD2-CE2 3.76Å; L444-F447 HydrophobicContact CD2-CZ 3.98Å; L444-F447 WeakPolarHBondContact O-CB 3.48Å; L444-F447 PolarHBondContact O-N 2.9Å
445	N	92.6	Very high	93.6	Very high	111 Å²	111	51.5 Å²	51.5	59%	0.594	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-69.9	-8.8	175	66.3	-21.4	0	0	0	113.6	E443	E443-N445 VanDerWaalsContact CG-OD1 3.28Å; E443-N445 WeakPolarHBondContact CG-OD1 3.31Å; E443-N445 PolarHBondContact O-N 2.86Å
446	S	95.2	Very high	93.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-91.2	-5.6	173.6	75.2	0	0	0	0	113.7	E443 L444 L448 Y466 M514	E443-S446 WeakPolarHBondContact O-CA 3.47Å; E443-S446 VanDerWaalsContact O-CB 3.28Å; E443-S446 WeakPolarHBondContact O-CB 3.36Å; E443-S446 PolarHBondContact O-N 2.86Å; E443-S446 PolarHBondContact O-OG 3.1Å; L444-S446 PolarHBondContact O-N 2.92Å; S446-L448 PolarHBondContact O-N 2.95Å; S446-Y466 PolarHBondContact OG-N 3.01Å; S446-M514 VanDerWaalsContact CB-SD 3.51Å
447	F	96.5	Very high	93.2	Very high	24 Å²	24	52 Å²	52	11%	0.105	27%	0.269	C	S	.	.			trans	-74.1	131.1	-171.2	-76.2	21.3	0	0	0	111.3	Y353 H442 E443 L444 V449 I463 T464 F480	Y353-F447 HydrophobicContact CD1-CZ 4.39Å; Y353-F447 AromaticContact CD2-CE2 3.62Å; Y353-F447 HydrophobicContact CD2-CE2 3.62Å; Y353-F447 HydrophobicContact CD2-CZ 4.17Å; Y353-F447 HydrophobicContact CE1-CE2 4.48Å; Y353-F447 HydrophobicContact CE1-CZ 4.27Å; Y353-F447 AromaticContact CE2-CE2 3.46Å; Y353-F447 HydrophobicContact CE2-CE2 3.46Å; Y353-F447 VanDerWaalsContact CE2-CE2 3.46Å; Y353-F447 HydrophobicContact CE2-CZ 4.06Å; Y353-F447 HydrophobicContact CG-CE2 4.23Å; Y353-F447 HydrophobicContact CG-CZ 4.35Å; Y353-F447 AromaticContact CZ-CE2 3.92Å; H442-F447 HydrophobicContact CB-CE1 3.82Å; H442-F447 HydrophobicContact CB-CZ 3.67Å; H442-F447 AromaticContact CD2-CZ 4Å; H442-F447 AromaticContact CG-CZ 3.98Å; E443-F447 WeakPolarHBondContact O-CD1 3.47Å; L444-F447 HydrophobicContact CD2-CD2 4.21Å; L444-F447 HydrophobicContact CD2-CE2 3.76Å; L444-F447 HydrophobicContact CD2-CZ 3.98Å; L444-F447 WeakPolarHBondContact O-CB 3.48Å; L444-F447 PolarHBondContact O-N 2.9Å; F447-V449 HydrophobicContact CB-CG2 4.39Å; F447-I463 HydrophobicContact CD2-CG2 3.94Å; F447-I463 HydrophobicContact CE2-CG2 4.26Å; F447-I463 HydrophobicContact CG-CG2 4.41Å; F447-T464 CarbonylContact C-O 3.55Å; F447-T464 VanDerWaalsContact CA-O 3.26Å; F447-T464 WeakPolarHBondContact CA-O 3.11Å; F447-F480 HydrophobicContact CD1-CE1 4.11Å; F447-F480 HydrophobicContact CD1-CZ 4.03Å; F447-F480 AromaticContact CE1-CE1 3.46Å; F447-F480 HydrophobicContact CE1-CE1 3.46Å; F447-F480 VanDerWaalsContact CE1-CE1 3.46Å; F447-F480 AromaticContact CE1-CZ 3.43Å; F447-F480 HydrophobicContact CE1-CZ 3.43Å; F447-F480 VanDerWaalsContact CE1-CZ 3.43Å; F447-F480 HydrophobicContact CE2-CZ 4.03Å; F447-F480 AromaticContact CZ-CE1 3.88Å; F447-F480 HydrophobicContact CZ-CE1 3.88Å; F447-F480 AromaticContact CZ-CZ 3.43Å; F447-F480 HydrophobicContact CZ-CZ 3.43Å; F447-F480 VanDerWaalsContact CZ-CZ 3.43Å
448	L	95.6	Very high	93.3	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.1	161.3	-67.9	172.5	0	0	0	108	S446 I463 T464 L517	S446-L448 PolarHBondContact O-N 2.95Å; L448-I463 CarbonylContact O-C 3.58Å; L448-I463 WeakPolarHBondContact O-CA 3.12Å; L448-T464 PolarHBondContact N-O 3.18Å; L448-T464 PolarHBondContact O-N 3.09Å; L448-L517 HydrophobicContact CD1-CD2 4.38Å; L448-L517 HydrophobicContact CD2-CD2 3.71Å; L448-L517 HydrophobicContact CG-CD2 4.1Å
449	V	95.9	Very high	93.4	Very high	16 Å²	16	54 Å²	54	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.1	-173.6	-175.9	0	0	0	0	108.8	S334 Y335 I345 L349 F447 C461 S462 I463	S334-V449 CarbonylContact C-O 3.56Å; S334-V449 VanDerWaalsContact CA-O 3.26Å; S334-V449 WeakPolarHBondContact CA-O 3.44Å; S334-V449 WeakPolarHBondContact CB-O 3.43Å; S334-V449 PolarHBondContact OG-N 2.8Å; Y335-V449 PolarHBondContact N-O 3.41Å; Y335-V449 VanDerWaalsContact N-O 3.09Å; I345-V449 HydrophobicContact CG2-CG1 4.04Å; L349-V449 HydrophobicContact CD1-CG1 4.1Å; L349-V449 HydrophobicContact CD1-CG2 3.84Å; F447-V449 HydrophobicContact CB-CG2 4.39Å; V449-C461 WeakPolarHBondContact CG1-SG 3.17Å; V449-S462 CarbonylContact C-O 3.53Å; V449-S462 WeakPolarHBondContact CA-O 3.03Å; V449-I463 HydrophobicContact CG1-CG1 4.33Å; V449-I463 HydrophobicContact CG2-CG1 4.39Å; V449-I463 HydrophobicContact CG2-CG2 4.4Å
450	D	95.5	Very high	93.5	Very high	60 Å²	60	52 Å²	52	32%	0.321	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.2	-177	-60.8	-46.5	0	0	0	110.4	Y335 A452 S462	Y335-D450 PolarHBondContact N-OD1 3.38Å; Y335-D450 WeakPolarHBondContact O-CA 3.31Å; D450-A452 PolarHBondContact O-N 3.26Å; D450-S462 PolarHBondContact N-O 3.4Å; D450-S462 PolarHBondContact O-N 2.92Å
451	L	94	Very high	93.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	97.2	173.1	-170.9	66.3	0	0	0	109.1	Y335 V336 V337 I341 I345 L454 A459	Y335-L451 PolarHBondContact O-N 3.45Å; V336-L451 HydrophobicContact CG1-CD2 4.3Å; V337-L451 HydrophobicContact CG2-CD2 4.02Å; I341-L451 HydrophobicContact CG2-CD2 3.97Å; I345-L451 HydrophobicContact CD1-CD1 4.16Å; L451-L454 HydrophobicContact CD2-CB 4.05Å; L451-L454 HydrophobicContact CD2-CD1 4.38Å; L451-L454 HydrophobicContact CD2-CD2 4.36Å; L451-L454 HydrophobicContact CD2-CG 4.5Å; L451-L454 HydrophobicContact CG-CB 4.5Å; L451-A459 HydrophobicContact CD1-CB 3.56Å
452	A	89	Confident	93.7	Very high	75 Å²	75	48.5 Å²	48.5	62%	0.62	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	-36.3	-176	0	0	0	0	0	112.7	D450 V460	D450-A452 PolarHBondContact O-N 3.26Å; A452-V460 PolarHBondContact N-O 3.36Å
453	I	91.7	Very high	93.8	Very high	91 Å²	91	47.5 Å²	47.5	47%	0.467	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.8	-179.1	-56.2	177.7	0	0	0	108.4	A459 V460	I453-A459 CarbonylContact O-C 3.2Å; I453-A459 WeakPolarHBondContact O-CA 3.48Å; I453-V460 HydrophobicContact CB-CB 3.94Å; I453-V460 HydrophobicContact CB-CG2 3.88Å; I453-V460 HydrophobicContact CD1-CG2 4.13Å; I453-V460 HydrophobicContact CG1-CB 4.31Å; I453-V460 HydrophobicContact CG1-CG2 4.32Å; I453-V460 PolarHBondContact O-N 2.82Å
454	L	89.6	Confident	93.8	Very high	27 Å²	27	47.7 Å²	47.7	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	111.6	169.3	177.8	67.3	0	0	0	108.1	V337 I341 L451 I458 A459 F547	V337-L454 HydrophobicContact CB-CD2 4.22Å; V337-L454 HydrophobicContact CG1-CD2 4.31Å; V337-L454 HydrophobicContact CG2-CD2 4.21Å; I341-L454 HydrophobicContact CD1-CD1 3.95Å; I341-L454 HydrophobicContact CD1-CD2 3.34Å; I341-L454 HydrophobicContact CD1-CG 4.3Å; L451-L454 HydrophobicContact CD2-CB 4.05Å; L451-L454 HydrophobicContact CD2-CD1 4.38Å; L451-L454 HydrophobicContact CD2-CD2 4.36Å; L451-L454 HydrophobicContact CD2-CG 4.5Å; L451-L454 HydrophobicContact CG-CB 4.5Å; L454-I458 WeakPolarHBondContact CA-O 3.4Å; L454-A459 HydrophobicContact CD1-CB 4.43Å; L454-F547 HydrophobicContact CD1-CD1 3.42Å; L454-F547 VanDerWaalsContact CD1-CD1 3.42Å; L454-F547 HydrophobicContact CD1-CE1 3.65Å
455	Q	89.9	Confident	94	Very high	125 Å²	125	43.5 Å²	43.5	58%	0.584	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	118.6	179.7	-176.6	173.2	-0.7	0	0	109.6	N457 I458	Q455-N457 PolarHBondContact O-N 3.34Å; Q455-N457 VanDerWaalsContact O-N 3.07Å; Q455-I458 PolarHBondContact N-O 3.18Å; Q455-I458 PolarHBondContact O-N 3.31Å
456	E	87.6	Confident	94.1	Very high	141 Å²	141	38.3 Å²	38.3	66%	0.659	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-112.6	-177.2	-60.2	171.4	-163	0	0	110.7	F547	E456-F547 VanDerWaalsContact O-O 3.06Å
457	N	90.5	Very high	94.1	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.283	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.4	177	72.2	-29.1	0	0	0	113.6	Q455 E487 Y488	Q455-N457 PolarHBondContact O-N 3.34Å; Q455-N457 VanDerWaalsContact O-N 3.07Å; N457-E487 WeakPolarHBondContact ND2-CG 3.47Å; N457-E487 PolarHBondContact ND2-OE1 3.29Å; N457-E487 CarbonylContact O-C 3.52Å; N457-E487 WeakPolarHBondContact O-CA 3.41Å; N457-Y488 WeakPolarHBondContact CB-O 3.24Å; N457-Y488 PolarHBondContact ND2-O 3.01Å; N457-Y488 PolarHBondContact O-N 3.2Å
458	I	94.8	Very high	93.9	Very high	49 Å²	49	40.6 Å²	40.6	25%	0.251	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.4	179.7	-56.9	-59.9	0	0	0	111.2	L454 Q455 I485 L486 E487 L496	L454-I458 WeakPolarHBondContact CA-O 3.4Å; Q455-I458 PolarHBondContact N-O 3.18Å; Q455-I458 PolarHBondContact O-N 3.31Å; I458-I485 HydrophobicContact CG2-CG2 3.8Å; I458-L486 CarbonylContact C-O 3.55Å; I458-L486 WeakPolarHBondContact CA-O 3.49Å; I458-E487 HydrophobicContact CD1-CB 3.89Å; I458-E487 HydrophobicContact CD1-CG 3.92Å; I458-L496 HydrophobicContact CD1-CD1 3.73Å
459	A	93.2	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.4	176	0	0	0	0	0	111.2	L451 I453 L454 I485 L486 F547	L451-A459 HydrophobicContact CD1-CB 3.56Å; I453-A459 CarbonylContact O-C 3.2Å; I453-A459 WeakPolarHBondContact O-CA 3.48Å; L454-A459 HydrophobicContact CD1-CB 4.43Å; A459-I485 CarbonylContact O-C 3.59Å; A459-I485 WeakPolarHBondContact O-CA 3.26Å; A459-L486 HydrophobicContact CB-CB 4.25Å; A459-L486 PolarHBondContact N-O 2.97Å; A459-L486 PolarHBondContact O-N 2.92Å; A459-F547 HydrophobicContact CB-CE1 3.96Å
460	V	96.7	Very high	93.1	Very high	28 Å²	28	42.4 Å²	42.4	17%	0.17	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.6	170.2	-177.3	0	0	0	0	108.8	A452 I453 V483 L484 I485	A452-V460 PolarHBondContact N-O 3.36Å; I453-V460 HydrophobicContact CB-CB 3.94Å; I453-V460 HydrophobicContact CB-CG2 3.88Å; I453-V460 HydrophobicContact CD1-CG2 4.13Å; I453-V460 HydrophobicContact CG1-CB 4.31Å; I453-V460 HydrophobicContact CG1-CG2 4.32Å; I453-V460 PolarHBondContact O-N 2.82Å; V460-V483 HydrophobicContact CG1-CG1 3.88Å; V460-L484 WeakPolarHBondContact CA-O 3.35Å; V460-I485 HydrophobicContact CG2-CG1 4.3Å
461	C	96.2	Very high	92.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.6	-172.8	-176.8	0	0	0	0	110.1	V449 V483 L484 L486	V449-C461 WeakPolarHBondContact CG1-SG 3.17Å; C461-V483 CarbonylContact O-C 3.59Å; C461-V483 WeakPolarHBondContact O-CA 3.4Å; C461-L484 PolarHBondContact N-O 3.2Å; C461-L484 PolarHBondContact O-N 3.21Å; C461-L486 HydrophobicContact CB-CD1 4.09Å
462	S	97.5	Very high	91.9	Very high	37 Å²	37	45.8 Å²	45.8	26%	0.259	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	172.3	-178.6	0	0	0	0	109.4	V449 D450 R482	V449-S462 CarbonylContact C-O 3.53Å; V449-S462 WeakPolarHBondContact CA-O 3.03Å; D450-S462 PolarHBondContact N-O 3.4Å; D450-S462 PolarHBondContact O-N 2.92Å; S462-R482 CarbonylContact C-O 3.59Å
463	I	97.7	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.9	-177.9	-55.7	155.4	0	0	0	107.1	L349 F447 L448 V449 F480 G481 R482 L484	L349-I463 HydrophobicContact CD1-CD1 4.1Å; L349-I463 HydrophobicContact CD1-CG1 4.28Å; L349-I463 HydrophobicContact CD2-CD1 3.56Å; F447-I463 HydrophobicContact CD2-CG2 3.94Å; F447-I463 HydrophobicContact CE2-CG2 4.26Å; F447-I463 HydrophobicContact CG-CG2 4.41Å; L448-I463 CarbonylContact O-C 3.58Å; L448-I463 WeakPolarHBondContact O-CA 3.12Å; V449-I463 HydrophobicContact CG1-CG1 4.33Å; V449-I463 HydrophobicContact CG2-CG1 4.39Å; V449-I463 HydrophobicContact CG2-CG2 4.4Å; I463-F480 HydrophobicContact CG2-CE2 4Å; I463-F480 HydrophobicContact CG2-CZ 4.05Å; I463-G481 CarbonylContact O-C 3.57Å; I463-G481 VanDerWaalsContact O-CA 3.31Å; I463-G481 WeakPolarHBondContact O-CA 3.2Å; I463-R482 HydrophobicContact CB-CB 4.38Å; I463-R482 PolarHBondContact N-O 3.47Å; I463-R482 PolarHBondContact O-N 2.75Å; I463-L484 HydrophobicContact CD1-CD1 3.79Å; I463-L484 HydrophobicContact CD1-CG 4.2Å
464	T	96.9	Very high	89.9	Confident	43 Å²	43	48.4 Å²	48.4	26%	0.264	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.2	171.7	60.1	0	0	0	0	109.7	F447 L448 F480	F447-T464 CarbonylContact C-O 3.55Å; F447-T464 VanDerWaalsContact CA-O 3.26Å; F447-T464 WeakPolarHBondContact CA-O 3.11Å; L448-T464 PolarHBondContact N-O 3.18Å; L448-T464 PolarHBondContact O-N 3.09Å; T464-F480 WeakPolarHBondContact CA-O 3.47Å
465	G	96.5	Very high	88.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-165	176.2	0	0	0	0	0	113.1	E479 F480	G465-E479 WeakPolarHBondContact O-CA 3.33Å; G465-F480 VanDerWaalsContact C-CD1 3.42Å; G465-F480 PolarHBondContact N-O 3.24Å; G465-F480 WeakPolarHBondContact O-CD1 3.36Å; G465-F480 PolarHBondContact O-N 3.08Å
466	Y	96.2	Very high	88.1	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.3	-176.6	-65.7	-75	0	0	0	112.7	E443 S446 V477 K478 E479 T505 Y510 Q513 M514	E443-Y466 PolarHBondContact N-O 2.67Å; S446-Y466 PolarHBondContact OG-N 3.01Å; Y466-V477 HydrophobicContact CD1-CG1 3.72Å; Y466-V477 HydrophobicContact CG-CG1 4.02Å; Y466-K478 CarbonylContact C-O 3.58Å; Y466-K478 VanDerWaalsContact CA-O 3.3Å; Y466-K478 WeakPolarHBondContact CA-O 3.49Å; Y466-K478 WeakPolarHBondContact CD1-O 3.5Å; Y466-E479 HydrophobicContact CD1-CB 4.07Å; Y466-E479 HydrophobicContact CD1-CG 4.41Å; Y466-E479 HydrophobicContact CE1-CB 3.93Å; Y466-E479 HydrophobicContact CE1-CG 4.09Å; Y466-T505 HydrophobicContact CD1-CG2 4.15Å; Y466-T505 HydrophobicContact CE1-CG2 3.85Å; Y466-Y510 AromaticContact CD1-CD2 3.88Å; Y466-Y510 HydrophobicContact CD1-CD2 3.88Å; Y466-Y510 AromaticContact CD2-CD2 3.73Å; Y466-Y510 HydrophobicContact CD2-CD2 3.73Å; Y466-Y510 HydrophobicContact CD2-CE2 4.1Å; Y466-Y510 HydrophobicContact CE1-CD2 4.12Å; Y466-Y510 HydrophobicContact CE2-CD2 4Å; Y466-Y510 AromaticContact CG-CD2 3.67Å; Y466-Y510 HydrophobicContact CG-CD2 3.67Å; Y466-Y510 HydrophobicContact CG-CE2 4.05Å; Y466-Q513 HydrophobicContact CE2-CB 4.15Å; Y466-Q513 HydrophobicContact CE2-CG 4.07Å; Y466-Q513 VanDerWaalsContact CZ-OE1 3.28Å; Y466-Q513 PolarHBondContact OH-OE1 2.97Å; Y466-M514 HydrophobicContact CD2-SD 4.23Å
467	F	94.9	Very high	88.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.1	172.5	70.8	-85	0	0	0	111.6	I392 W398 I440 K441 H442 K478 F480 F502	I392-F467 HydrophobicContact CD1-CZ 4.16Å; W398-F467 AromaticContact CH2-CE2 3.74Å; W398-F467 HydrophobicContact CH2-CE2 3.74Å; W398-F467 AromaticContact CH2-CZ 3.78Å; W398-F467 HydrophobicContact CH2-CZ 3.78Å; W398-F467 AromaticContact CZ2-CE2 3.51Å; W398-F467 HydrophobicContact CZ2-CE2 3.51Å; W398-F467 AromaticContact CZ2-CZ 3.96Å; W398-F467 HydrophobicContact CZ2-CZ 3.96Å; W398-F467 HydrophobicContact CZ3-CZ 4.45Å; I440-F467 HydrophobicContact CB-CD2 3.83Å; I440-F467 HydrophobicContact CB-CE2 4.41Å; I440-F467 HydrophobicContact CD1-CB 4.44Å; I440-F467 HydrophobicContact CD1-CD2 3.73Å; I440-F467 HydrophobicContact CD1-CE2 4.09Å; I440-F467 HydrophobicContact CD1-CG 4.04Å; I440-F467 HydrophobicContact CG1-CD2 4.37Å; I440-F467 HydrophobicContact CG2-CD2 3.76Å; I440-F467 HydrophobicContact CG2-CE2 3.86Å; K441-F467 CarbonylContact O-C 3.2Å; K441-F467 VanDerWaalsContact O-CA 3.25Å; K441-F467 WeakPolarHBondContact O-CA 3.4Å; K441-F467 WeakPolarHBondContact O-CB 3.3Å; H442-F467 HydrophobicContact CB-CB 4.46Å; F467-K478 HydrophobicContact CD1-CB 4.08Å; F467-K478 HydrophobicContact CD2-CB 4.25Å; F467-K478 HydrophobicContact CE1-CB 3.51Å; F467-K478 HydrophobicContact CE2-CB 3.72Å; F467-K478 HydrophobicContact CE2-CD 3.61Å; F467-K478 HydrophobicContact CE2-CG 4.3Å; F467-K478 HydrophobicContact CG-CB 4.43Å; F467-K478 HydrophobicContact CZ-CB 3.33Å; F467-K478 HydrophobicContact CZ-CD 3.72Å; F467-K478 HydrophobicContact CZ-CG 4.16Å; F467-K478 PolarHBondContact N-O 3.4Å; F467-K478 PolarHBondContact O-N 2.99Å; F467-F480 HydrophobicContact CD1-CB 3.95Å; F467-F480 AromaticContact CD1-CD1 3.98Å; F467-F480 HydrophobicContact CD1-CD1 3.98Å; F467-F480 HydrophobicContact CD1-CG 4.33Å; F467-F480 HydrophobicContact CE1-CB 3.9Å; F467-F502 HydrophobicContact CD1-CD1 4.49Å; F467-F502 AromaticContact CE1-CD1 3.58Å; F467-F502 HydrophobicContact CE1-CD1 3.58Å; F467-F502 HydrophobicContact CE1-CE1 4.18Å; F467-F502 AromaticContact CZ-CD1 3.7Å; F467-F502 HydrophobicContact CZ-CD1 3.7Å; F467-F502 HydrophobicContact CZ-CE1 4.29Å
468	K	92.3	Very high	88.2	Confident	71 Å²	71	40.5 Å²	40.5	31%	0.309	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.4	175.2	-69	167	-174.3	146.2	0	109.1	I440 K441 E443 P470 V477	I440-K468 CarbonylContact C-O 3.57Å; I440-K468 WeakPolarHBondContact CA-O 3.39Å; K441-K468 PolarHBondContact N-O 2.9Å; K441-K468 PolarHBondContact O-N 3.31Å; E443-K468 WeakPolarHBondContact OE2-CE 3.35Å; E443-K468 IonicContact OE2-NZ 3.58Å; E443-K468 PolarHBondContact OE2-NZ 2.83Å; K468-P470 WeakPolarHBondContact O-CD 3.16Å; K468-V477 HydrophobicContact CD-CG2 4.41Å; K468-V477 VanDerWaalsContact CE-CG2 3.47Å; K468-V477 HydrophobicContact CG-CG2 4.09Å
469	D	88.7	Confident	88.1	Confident	1 Å²	1	41 Å²	41	1%	0.005	24%	0.244	C	C	.	.			trans	-99	108	167.5	176.9	-16	0	0	0	107	N395 R397 W398 I440 L471 D472	N395-D469 PolarHBondContact ND2-OD2 3.34Å; R397-D469 IonicContact NH1-OD1 3.33Å; R397-D469 PolarHBondContact NH1-OD1 2.67Å; R397-D469 IonicContact NH1-OD2 3.26Å; R397-D469 PolarHBondContact NH1-OD2 2.84Å; W398-D469 PolarHBondContact NE1-OD2 2.9Å; W398-D469 VanDerWaalsContact NE1-OD2 3.11Å; I440-D469 HydrophobicContact CG2-CB 4.35Å; D469-L471 PolarHBondContact O-N 3.39Å; D469-L471 VanDerWaalsContact O-N 3.11Å; D469-L471 PolarHBondContact OD1-N 2.97Å; D469-D472 HydrophobicContact CB-CB 3.9Å; D469-D472 WeakPolarHBondContact O-CB 3.39Å; D469-D472 PolarHBondContact O-N 2.92Å; D469-D472 PolarHBondContact OD1-N 3.5Å
470	P	86	Confident	88.2	Confident	82 Å²	82	41.2 Å²	41.2	53%	0.532	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.5	-175.2	-24.5	34.4	0	0	0	114.4	K441 K468	K441-P470 HydrophobicContact CG-CG 3.8Å; K468-P470 WeakPolarHBondContact O-CD 3.16Å
471	L	84.5	Confident	88.3	Confident	119 Å²	119	40.5 Å²	40.5	62%	0.623	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	1.8	179.6	-60.9	179	0	0	0	112.6	D469 T473	D469-L471 PolarHBondContact O-N 3.39Å; D469-L471 VanDerWaalsContact O-N 3.11Å; D469-L471 PolarHBondContact OD1-N 2.97Å; L471-T473 PolarHBondContact O-N 3.01Å
472	D	79.9	Confident	88.3	Confident	17 Å²	17	40.8 Å²	40.8	9%	0.091	24%	0.244	C	C	.	.			trans	-76.6	113.1	174.6	-165.8	-19.7	0	0	0	110.6	N395 D469 A474 N475 K478	N395-D472 WeakPolarHBondContact ND2-CB 3.3Å; N395-D472 VanDerWaalsContact ND2-CG 3.32Å; N395-D472 PolarHBondContact ND2-OD2 3.43Å; D469-D472 HydrophobicContact CB-CB 3.9Å; D469-D472 WeakPolarHBondContact O-CB 3.39Å; D469-D472 PolarHBondContact O-N 2.92Å; D469-D472 PolarHBondContact OD1-N 3.5Å; D472-A474 PolarHBondContact O-N 3.48Å; D472-A474 VanDerWaalsContact O-N 3.17Å; D472-A474 WeakPolarHBondContact OD1-CB 3.46Å; D472-A474 PolarHBondContact OD1-N 2.94Å; D472-N475 WeakPolarHBondContact O-CA 3.4Å; D472-N475 PolarHBondContact O-N 3.22Å; D472-K478 IonicContact OD2-NZ 2.85Å; D472-K478 PolarHBondContact OD2-NZ 3.41Å
473	T	69.6	Low	88.4	Confident	148 Å²	148	41 Å²	41	91%	0.908	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.9	178.8	51.5	0	0	0	0	113.4	L471 N475	L471-T473 PolarHBondContact O-N 3.01Å; T473-N475 PolarHBondContact O-N 2.88Å
474	A	68.2	Low	88.4	Confident	72 Å²	72	41 Å²	41	60%	0.595	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.7	174.8	0	0	0	0	0	112.2	D472 S476	D472-A474 PolarHBondContact O-N 3.48Å; D472-A474 VanDerWaalsContact O-N 3.17Å; D472-A474 WeakPolarHBondContact OD1-CB 3.46Å; D472-A474 PolarHBondContact OD1-N 2.94Å; A474-S476 PolarHBondContact O-N 3.05Å
475	N	64.7	Low	88.4	Confident	109 Å²	109	41.2 Å²	41.2	58%	0.583	24%	0.242	S	C	*	.			trans	46.8	40	-173.4	-166	27.1	0	0	0	112	D472 T473	D472-N475 WeakPolarHBondContact O-CA 3.4Å; D472-N475 PolarHBondContact O-N 3.22Å; T473-N475 PolarHBondContact O-N 2.88Å
476	S	78.3	Confident	88.5	Confident	50 Å²	50	41.2 Å²	41.2	35%	0.35	24%	0.242	S	C	.	.			trans	-90.1	128.9	-175.8	77.2	0	0	0	0	110.4	A474 K478	A474-S476 PolarHBondContact O-N 3.05Å; S476-K478 PolarHBondContact O-NZ 3.47Å; S476-K478 PolarHBondContact OG-NZ 3.18Å
477	V	88.4	Confident	88.5	Confident	18 Å²	18	43.1 Å²	43.1	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147.1	166.3	-176.2	0	0	0	0	109	Y466 K468 T505 Y510	Y466-V477 HydrophobicContact CD1-CG1 3.72Å; Y466-V477 HydrophobicContact CG-CG1 4.02Å; K468-V477 HydrophobicContact CD-CG2 4.41Å; K468-V477 VanDerWaalsContact CE-CG2 3.47Å; K468-V477 HydrophobicContact CG-CG2 4.09Å; V477-T505 HydrophobicContact CB-CG2 4.43Å; V477-T505 HydrophobicContact CG1-CG2 4.34Å; V477-T505 WeakPolarHBondContact O-CG2 3.2Å; V477-Y510 HydrophobicContact CB-CD2 4.33Å; V477-Y510 HydrophobicContact CB-CG 4.3Å; V477-Y510 HydrophobicContact CG1-CD2 3.62Å; V477-Y510 HydrophobicContact CG1-CE2 3.84Å; V477-Y510 HydrophobicContact CG1-CG 4.05Å; V477-Y510 HydrophobicContact CG2-CD1 4.16Å; V477-Y510 HydrophobicContact CG2-CD2 4.42Å; V477-Y510 HydrophobicContact CG2-CE1 4.03Å; V477-Y510 HydrophobicContact CG2-CE2 4.29Å; V477-Y510 HydrophobicContact CG2-CG 4.33Å
478	K	90.8	Very high	88.2	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.3	176.7	-68.4	164.9	-176.9	70.6	0	108.8	I392 Y466 F467 D472 S476	I392-K478 HydrophobicContact CD1-CD 4.04Å; I392-K478 HydrophobicContact CG1-CD 3.83Å; I392-K478 HydrophobicContact CG1-CG 4.41Å; Y466-K478 CarbonylContact C-O 3.58Å; Y466-K478 VanDerWaalsContact CA-O 3.3Å; Y466-K478 WeakPolarHBondContact CA-O 3.49Å; Y466-K478 WeakPolarHBondContact CD1-O 3.5Å; F467-K478 HydrophobicContact CD1-CB 4.08Å; F467-K478 HydrophobicContact CD2-CB 4.25Å; F467-K478 HydrophobicContact CE1-CB 3.51Å; F467-K478 HydrophobicContact CE2-CB 3.72Å; F467-K478 HydrophobicContact CE2-CD 3.61Å; F467-K478 HydrophobicContact CE2-CG 4.3Å; F467-K478 HydrophobicContact CG-CB 4.43Å; F467-K478 HydrophobicContact CZ-CB 3.33Å; F467-K478 HydrophobicContact CZ-CD 3.72Å; F467-K478 HydrophobicContact CZ-CG 4.16Å; F467-K478 PolarHBondContact N-O 3.4Å; F467-K478 PolarHBondContact O-N 2.99Å; D472-K478 IonicContact OD2-NZ 2.85Å; D472-K478 PolarHBondContact OD2-NZ 3.41Å; S476-K478 PolarHBondContact O-NZ 3.47Å; S476-K478 PolarHBondContact OG-NZ 3.18Å
479	E	93.3	Very high	88.1	Confident	61 Å²	61	45.2 Å²	45.2	29%	0.285	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146	-179.6	-172.7	-178.3	161.6	0	0	109.4	G465 Y466 C503	G465-E479 WeakPolarHBondContact O-CA 3.33Å; Y466-E479 HydrophobicContact CD1-CB 4.07Å; Y466-E479 HydrophobicContact CD1-CG 4.41Å; Y466-E479 HydrophobicContact CE1-CB 3.93Å; Y466-E479 HydrophobicContact CE1-CG 4.09Å; E479-C503 PolarHBondContact N-O 3.5Å; E479-C503 PolarHBondContact O-N 2.61Å; E479-C503 VanDerWaalsContact O-O 3.13Å
480	F	95.7	Very high	87.7	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.013	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153	170.9	80.6	-74.8	0	0	0	110.7	H442 F447 I463 T464 G465 F467 R482 Y501 F502	H442-F480 AromaticContact CD2-CD1 3.7Å; H442-F480 AromaticContact CD2-CE1 3.44Å; H442-F480 VanDerWaalsContact CD2-CE1 3.44Å; H442-F480 WeakPolarHBondContact CD2-CE1 3.37Å; H442-F480 AromaticContact CD2-CZ 3.77Å; F447-F480 HydrophobicContact CD1-CE1 4.11Å; F447-F480 HydrophobicContact CD1-CZ 4.03Å; F447-F480 AromaticContact CE1-CE1 3.46Å; F447-F480 HydrophobicContact CE1-CE1 3.46Å; F447-F480 VanDerWaalsContact CE1-CE1 3.46Å; F447-F480 AromaticContact CE1-CZ 3.43Å; F447-F480 HydrophobicContact CE1-CZ 3.43Å; F447-F480 VanDerWaalsContact CE1-CZ 3.43Å; F447-F480 HydrophobicContact CE2-CZ 4.03Å; F447-F480 AromaticContact CZ-CE1 3.88Å; F447-F480 HydrophobicContact CZ-CE1 3.88Å; F447-F480 AromaticContact CZ-CZ 3.43Å; F447-F480 HydrophobicContact CZ-CZ 3.43Å; F447-F480 VanDerWaalsContact CZ-CZ 3.43Å; I463-F480 HydrophobicContact CG2-CE2 4Å; I463-F480 HydrophobicContact CG2-CZ 4.05Å; T464-F480 WeakPolarHBondContact CA-O 3.47Å; G465-F480 VanDerWaalsContact C-CD1 3.42Å; G465-F480 PolarHBondContact N-O 3.24Å; G465-F480 WeakPolarHBondContact O-CD1 3.36Å; G465-F480 PolarHBondContact O-N 3.08Å; F467-F480 HydrophobicContact CD1-CB 3.95Å; F467-F480 AromaticContact CD1-CD1 3.98Å; F467-F480 HydrophobicContact CD1-CD1 3.98Å; F467-F480 HydrophobicContact CD1-CG 4.33Å; F467-F480 HydrophobicContact CE1-CB 3.9Å; F480-R482 HydrophobicContact CD2-CB 4.34Å; F480-R482 HydrophobicContact CE2-CB 4.34Å; F480-Y501 CarbonylContact C-O 3.57Å; F480-Y501 WeakPolarHBondContact CA-O 3.21Å; F480-Y501 WeakPolarHBondContact CB-O 3.29Å; F480-F502 HydrophobicContact CB-CD1 3.73Å; F480-F502 HydrophobicContact CB-CE1 4.05Å
481	G	97	Very high	87.4	Confident	13 Å²	13	51 Å²	51	13%	0.134	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.5	166.1	0	0	0	0	0	108.8	I463 Y501	I463-G481 CarbonylContact O-C 3.57Å; I463-G481 VanDerWaalsContact O-CA 3.31Å; I463-G481 WeakPolarHBondContact O-CA 3.2Å; G481-Y501 PolarHBondContact N-O 3.18Å; G481-Y501 PolarHBondContact O-N 3Å
482	R	97.4	Very high	87.6	Confident	6 Å²	6	50 Å²	50	2%	0.023	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	125.8	179.2	-164.4	174.3	-158.5	-176.7	4.2	110.5	Y352 Y370 S462 I463 F480 L484 D498 M499 T500	Y352-R482 PolarHBondContact OH-NH1 2.94Å; Y352-R482 PolarHBondContact OH-NH2 3.32Å; Y370-R482 PolarHBondContact OH-NH2 3.37Å; S462-R482 CarbonylContact C-O 3.59Å; I463-R482 HydrophobicContact CB-CB 4.38Å; I463-R482 PolarHBondContact N-O 3.47Å; I463-R482 PolarHBondContact O-N 2.75Å; F480-R482 HydrophobicContact CD2-CB 4.34Å; F480-R482 HydrophobicContact CE2-CB 4.34Å; R482-L484 HydrophobicContact CG-CD2 3.89Å; R482-L484 HydrophobicContact CG-CG 4.26Å; R482-D498 IonicContact CZ-OD1 2.84Å; R482-D498 IonicContact CZ-OD2 3.27Å; R482-D498 VanDerWaalsContact CZ-OD2 3.26Å; R482-D498 IonicContact NE-OD1 2.67Å; R482-D498 PolarHBondContact NE-OD1 3.45Å; R482-D498 IonicContact NE-OD2 2.75Å; R482-D498 PolarHBondContact NE-OD2 2.89Å; R482-D498 IonicContact NH2-OD1 3.94Å; R482-D498 IonicContact NH2-OD2 3.97Å; R482-D498 PolarHBondContact NH2-OD2 3.1Å; R482-M499 CarbonylContact C-O 3.6Å; R482-M499 VanDerWaalsContact CA-O 3.29Å; R482-M499 WeakPolarHBondContact CA-O 3.46Å; R482-T500 PolarHBondContact NE-OG1 2.95Å
483	V	98.3	Very high	88.3	Confident	41 Å²	41	49.9 Å²	49.9	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	173.7	-178.9	0	0	0	0	108.2	V460 C461 M499	V460-V483 HydrophobicContact CG1-CG1 3.88Å; C461-V483 CarbonylContact O-C 3.59Å; C461-V483 WeakPolarHBondContact O-CA 3.4Å; V483-M499 HydrophobicContact CB-CB 4.41Å; V483-M499 HydrophobicContact CB-CE 3.83Å; V483-M499 HydrophobicContact CG1-CE 3.74Å; V483-M499 PolarHBondContact N-O 2.82Å; V483-M499 PolarHBondContact O-N 2.78Å
484	L	98.4	Very high	89.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	178.3	-58.6	-178.4	0	0	0	109.6	F348 L349 V460 C461 I463 R482 L486 I495 N497 D498	F348-L484 HydrophobicContact CE1-CD1 4.23Å; L349-L484 HydrophobicContact CD2-CD1 4.42Å; V460-L484 WeakPolarHBondContact CA-O 3.35Å; C461-L484 PolarHBondContact N-O 3.2Å; C461-L484 PolarHBondContact O-N 3.21Å; I463-L484 HydrophobicContact CD1-CD1 3.79Å; I463-L484 HydrophobicContact CD1-CG 4.2Å; R482-L484 HydrophobicContact CG-CD2 3.89Å; R482-L484 HydrophobicContact CG-CG 4.26Å; L484-L486 HydrophobicContact CB-CD2 4.05Å; L484-L486 HydrophobicContact CB-CG 4.09Å; L484-L486 HydrophobicContact CD1-CD2 4.32Å; L484-I495 HydrophobicContact CD1-CD1 4.45Å; L484-I495 HydrophobicContact CD2-CD1 4.45Å; L484-I495 HydrophobicContact CD2-CG2 4.24Å; L484-N497 CarbonylContact C-O 3.57Å; L484-N497 WeakPolarHBondContact CA-O 3.43Å; L484-D498 HydrophobicContact CD2-CB 3.97Å
485	I	98.1	Very high	91	Very high	49 Å²	49	39.8 Å²	39.8	25%	0.251	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114	161.5	-53.7	-174.8	0	0	0	106.5	I458 A459 V460 L496 N497	I458-I485 HydrophobicContact CG2-CG2 3.8Å; A459-I485 CarbonylContact O-C 3.59Å; A459-I485 WeakPolarHBondContact O-CA 3.26Å; V460-I485 HydrophobicContact CG2-CG1 4.3Å; I485-L496 HydrophobicContact CB-CB 4.44Å; I485-L496 HydrophobicContact CG2-CB 4.3Å; I485-L496 HydrophobicContact CG2-CD1 4.36Å; I485-L496 PolarHBondContact O-N 2.74Å; I485-N497 HydrophobicContact CB-CB 4.03Å; I485-N497 HydrophobicContact CD1-CB 3.91Å; I485-N497 HydrophobicContact CG1-CB 3.97Å; I485-N497 PolarHBondContact N-O 3.36Å; I485-N497 PolarHBondContact O-N 3.12Å
486	L	97	Very high	92.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.7	-176.5	-60.7	173.2	0	0	0	109.5	F348 I458 A459 C461 L484 L493 I494 I495	F348-L486 HydrophobicContact CE1-CD2 3.98Å; F348-L486 HydrophobicContact CZ-CD2 4.09Å; I458-L486 CarbonylContact C-O 3.55Å; I458-L486 WeakPolarHBondContact CA-O 3.49Å; A459-L486 HydrophobicContact CB-CB 4.25Å; A459-L486 PolarHBondContact N-O 2.97Å; A459-L486 PolarHBondContact O-N 2.92Å; C461-L486 HydrophobicContact CB-CD1 4.09Å; L484-L486 HydrophobicContact CB-CD2 4.05Å; L484-L486 HydrophobicContact CB-CG 4.09Å; L484-L486 HydrophobicContact CD1-CD2 4.32Å; L486-L493 HydrophobicContact CB-CD2 4.34Å; L486-I494 CarbonylContact C-O 3.32Å; L486-I494 WeakPolarHBondContact CA-O 3.25Å; L486-I495 HydrophobicContact CD2-CB 4.44Å; L486-I495 HydrophobicContact CD2-CG1 3.68Å
487	E	95.8	Very high	93.6	Very high	42 Å²	42	36 Å²	36	20%	0.196	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.1	164.5	-173.9	-177.9	-157.6	0	0	109.1	N457 I458 R489 L493 I494 L496	N457-E487 WeakPolarHBondContact ND2-CG 3.47Å; N457-E487 PolarHBondContact ND2-OE1 3.29Å; N457-E487 CarbonylContact O-C 3.52Å; N457-E487 WeakPolarHBondContact O-CA 3.41Å; I458-E487 HydrophobicContact CD1-CB 3.89Å; I458-E487 HydrophobicContact CD1-CG 3.92Å; E487-R489 HydrophobicContact CG-CG 4.24Å; E487-R489 IonicContact OE2-CZ 3.22Å; E487-R489 IonicContact OE2-NE 2.85Å; E487-R489 PolarHBondContact OE2-NE 2.97Å; E487-R489 IonicContact OE2-NH2 2.74Å; E487-R489 PolarHBondContact OE2-NH2 3.21Å; E487-L493 WeakPolarHBondContact O-CA 3.38Å; E487-I494 PolarHBondContact N-O 3.43Å; E487-I494 PolarHBondContact O-N 2.96Å; E487-L496 HydrophobicContact CB-CD1 4.01Å; E487-L496 HydrophobicContact CB-CD2 4.01Å; E487-L496 HydrophobicContact CB-CG 3.94Å
488	Y	90.4	Very high	94.1	Very high	43 Å²	43	35.2 Å²	35.2	17%	0.169	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.3	167.9	-176.6	-106.5	0	0	0	109.9	N457 L493 P546 F547	N457-Y488 WeakPolarHBondContact CB-O 3.24Å; N457-Y488 PolarHBondContact ND2-O 3.01Å; N457-Y488 PolarHBondContact O-N 3.2Å; Y488-L493 HydrophobicContact CD2-CD2 3.92Å; Y488-L493 HydrophobicContact CD2-CG 4.39Å; Y488-P546 HydrophobicContact CE2-CG 4.02Å; Y488-P546 WeakPolarHBondContact OH-CD 3.33Å; Y488-F547 HydrophobicContact CD1-CB 3.89Å; Y488-F547 AromaticContact CD1-CD2 3.51Å; Y488-F547 HydrophobicContact CD1-CD2 3.51Å; Y488-F547 HydrophobicContact CD1-CE2 4.31Å; Y488-F547 AromaticContact CD1-CG 3.85Å; Y488-F547 HydrophobicContact CD1-CG 3.85Å; Y488-F547 AromaticContact CD2-CD2 3.26Å; Y488-F547 HydrophobicContact CD2-CD2 3.26Å; Y488-F547 AromaticContact CD2-CE2 3.19Å; Y488-F547 HydrophobicContact CD2-CE2 3.19Å; Y488-F547 HydrophobicContact CD2-CG 4.2Å; Y488-F547 HydrophobicContact CD2-CZ 4.1Å; Y488-F547 AromaticContact CE1-CD2 3.96Å; Y488-F547 HydrophobicContact CE1-CD2 3.96Å; Y488-F547 AromaticContact CE2-CD2 3.73Å; Y488-F547 HydrophobicContact CE2-CD2 3.73Å; Y488-F547 AromaticContact CE2-CE2 3.78Å; Y488-F547 HydrophobicContact CE2-CE2 3.78Å; Y488-F547 HydrophobicContact CG-CB 4.18Å; Y488-F547 HydrophobicContact CG-CD1 4.33Å; Y488-F547 AromaticContact CG-CD2 3.11Å; Y488-F547 HydrophobicContact CG-CD2 3.11Å; Y488-F547 AromaticContact CG-CE2 3.49Å; Y488-F547 HydrophobicContact CG-CE2 3.49Å; Y488-F547 VanDerWaalsContact CG-CE2 3.49Å; Y488-F547 AromaticContact CG-CG 3.62Å; Y488-F547 HydrophobicContact CG-CG 3.62Å; Y488-F547 HydrophobicContact CG-CZ 4.26Å
489	R	89.2	Confident	94.4	Very high	72 Å²	72	39 Å²	39	27%	0.272	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.3	167.5	-57.7	176.2	-175.8	171.3	-2.3	107.8	E487 G491 E492	E487-R489 HydrophobicContact CG-CG 4.24Å; E487-R489 IonicContact OE2-CZ 3.22Å; E487-R489 IonicContact OE2-NE 2.85Å; E487-R489 PolarHBondContact OE2-NE 2.97Å; E487-R489 IonicContact OE2-NH2 2.74Å; E487-R489 PolarHBondContact OE2-NH2 3.21Å; R489-G491 PolarHBondContact O-N 3.14Å; R489-E492 HydrophobicContact CB-CG 3.66Å; R489-E492 WeakPolarHBondContact CD-OE1 3.38Å; R489-E492 PolarHBondContact N-O 2.93Å; R489-E492 PolarHBondContact O-N 3.05Å
490	P	80.5	Confident	94.6	Very high	129 Å²	129	36.5 Å²	36.5	84%	0.838	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	104.1	-177.3	-27.9	36	0	0	0	112.7
491	G	79.4	Confident	94.5	Very high	76 Å²	76	40 Å²	40	78%	0.784	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	-0.3	179.8	0	0	0	0	0	116.5	R489	R489-G491 PolarHBondContact O-N 3.14Å
492	E	88.2	Confident	94.3	Very high	99 Å²	99	39.5 Å²	39.5	46%	0.463	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.6	-176.8	66.3	-176.1	-178.7	0	0	113	R489 I494	R489-E492 HydrophobicContact CB-CG 3.66Å; R489-E492 WeakPolarHBondContact CD-OE1 3.38Å; R489-E492 PolarHBondContact N-O 2.93Å; R489-E492 PolarHBondContact O-N 3.05Å; E492-I494 HydrophobicContact CG-CD1 4.45Å; E492-I494 HydrophobicContact CG-CG1 4.24Å
493	L	94.7	Very high	93.9	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.9	170.2	-76.2	168.4	0	0	0	108.4	A344 I345 F348 L486 E487 Y488 F547	A344-L493 HydrophobicContact CB-CD1 4.31Å; I345-L493 HydrophobicContact CG1-CD1 4.26Å; F348-L493 HydrophobicContact CB-CB 4.46Å; F348-L493 HydrophobicContact CB-CD1 3.85Å; F348-L493 HydrophobicContact CD2-CB 3.81Å; F348-L493 HydrophobicContact CE2-CB 4.24Å; F348-L493 WeakPolarHBondContact CE2-O 3.36Å; F348-L493 HydrophobicContact CG-CB 4.1Å; F348-L493 HydrophobicContact CG-CD1 4.17Å; L486-L493 HydrophobicContact CB-CD2 4.34Å; E487-L493 WeakPolarHBondContact O-CA 3.38Å; Y488-L493 HydrophobicContact CD2-CD2 3.92Å; Y488-L493 HydrophobicContact CD2-CG 4.39Å; L493-F547 HydrophobicContact CD2-CE2 4.16Å; L493-F547 HydrophobicContact CD2-CZ 3.78Å
494	I	97.7	Very high	93.3	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133	-177.6	-62.9	-63	0	0	0	109.6	K368 E371 L486 E487 E492	K368-I494 WeakPolarHBondContact O-CD1 3.36Å; E371-I494 HydrophobicContact CB-CG2 3.9Å; E371-I494 VanDerWaalsContact N-CG2 3.33Å; L486-I494 CarbonylContact C-O 3.32Å; L486-I494 WeakPolarHBondContact CA-O 3.25Å; E487-I494 PolarHBondContact N-O 3.43Å; E487-I494 PolarHBondContact O-N 2.96Å; E492-I494 HydrophobicContact CG-CD1 4.45Å; E492-I494 HydrophobicContact CG-CG1 4.24Å
495	I	98.6	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.4	176.8	-58.2	164.3	0	0	0	109.5	F348 Y352 A369 Y370 E371 L484 L486 D498	F348-I495 HydrophobicContact CZ-CD1 3.85Å; F348-I495 HydrophobicContact CZ-CG1 3.78Å; Y352-I495 HydrophobicContact CD2-CD1 4.18Å; Y352-I495 HydrophobicContact CE2-CD1 3.84Å; A369-I495 HydrophobicContact CB-CD1 4.47Å; A369-I495 WeakPolarHBondContact O-CB 3.48Å; A369-I495 WeakPolarHBondContact O-CG1 3.35Å; A369-I495 PolarHBondContact O-N 3.25Å; Y370-I495 HydrophobicContact CD1-CB 3.67Å; Y370-I495 HydrophobicContact CD1-CD1 4.16Å; Y370-I495 HydrophobicContact CD1-CG2 3.68Å; Y370-I495 HydrophobicContact CD2-CD1 4.32Å; Y370-I495 HydrophobicContact CE1-CB 3.88Å; Y370-I495 HydrophobicContact CE1-CD1 3.72Å; Y370-I495 HydrophobicContact CE1-CG1 4.42Å; Y370-I495 HydrophobicContact CE1-CG2 3.57Å; Y370-I495 HydrophobicContact CE2-CD1 3.9Å; Y370-I495 HydrophobicContact CG-CB 4.21Å; Y370-I495 HydrophobicContact CG-CD1 4.44Å; E371-I495 PolarHBondContact N-O 2.85Å; L484-I495 HydrophobicContact CD1-CD1 4.45Å; L484-I495 HydrophobicContact CD2-CD1 4.45Å; L484-I495 HydrophobicContact CD2-CG2 4.24Å; L486-I495 HydrophobicContact CD2-CB 4.44Å; L486-I495 HydrophobicContact CD2-CG1 3.68Å; I495-D498 HydrophobicContact CG2-CB 4.1Å
496	L	98.6	Very high	91.9	Very high	50 Å²	50	38.6 Å²	38.6	26%	0.262	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-38.5	171	-56.8	-173	0	0	0	111.7	E371 S375 L376 I458 I485 E487	E371-L496 HydrophobicContact CB-CD2 3.87Å; E371-L496 HydrophobicContact CG-CD2 3.91Å; S375-L496 WeakPolarHBondContact CA-O 3.44Å; L376-L496 PolarHBondContact N-O 3.44Å; L376-L496 VanDerWaalsContact N-O 3.08Å; I458-L496 HydrophobicContact CD1-CD1 3.73Å; I485-L496 HydrophobicContact CB-CB 4.44Å; I485-L496 HydrophobicContact CG2-CB 4.3Å; I485-L496 HydrophobicContact CG2-CD1 4.36Å; I485-L496 PolarHBondContact O-N 2.74Å; E487-L496 HydrophobicContact CB-CD1 4.01Å; E487-L496 HydrophobicContact CB-CD2 4.01Å; E487-L496 HydrophobicContact CB-CG 3.94Å
497	N	98.5	Very high	91	Very high	30 Å²	30	44.9 Å²	44.9	16%	0.16	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.7	179.5	179.8	67.8	0	0	0	111	L376 L484 I485	L376-N497 WeakPolarHBondContact CB-OD1 3.4Å; L376-N497 CarbonylContact O-C 3.6Å; L376-N497 WeakPolarHBondContact O-CA 3.48Å; L484-N497 CarbonylContact C-O 3.57Å; L484-N497 WeakPolarHBondContact CA-O 3.43Å; I485-N497 HydrophobicContact CB-CB 4.03Å; I485-N497 HydrophobicContact CD1-CB 3.91Å; I485-N497 HydrophobicContact CG1-CB 3.97Å; I485-N497 PolarHBondContact N-O 3.36Å; I485-N497 PolarHBondContact O-N 3.12Å
498	D	98.4	Very high	90.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	109.9	-173.1	-173.4	-18	0	0	0	110.6	Y370 L376 L377 T378 R482 L484 I495 T500	Y370-D498 HydrophobicContact CE1-CB 3.98Å; Y370-D498 WeakPolarHBondContact CE1-OD2 3.37Å; Y370-D498 PolarHBondContact OH-OD2 3.35Å; L376-D498 PolarHBondContact O-N 3.17Å; L377-D498 CarbonylContact C-O 3.6Å; L377-D498 VanDerWaalsContact CA-O 3.3Å; L377-D498 WeakPolarHBondContact CA-O 3.47Å; L377-D498 HydrophobicContact CB-CB 4.44Å; L377-D498 HydrophobicContact CD1-CB 3.74Å; L377-D498 WeakPolarHBondContact CD1-OD2 3.33Å; T378-D498 PolarHBondContact N-O 3.22Å; R482-D498 IonicContact CZ-OD1 2.84Å; R482-D498 IonicContact CZ-OD2 3.27Å; R482-D498 VanDerWaalsContact CZ-OD2 3.26Å; R482-D498 IonicContact NE-OD1 2.67Å; R482-D498 PolarHBondContact NE-OD1 3.45Å; R482-D498 IonicContact NE-OD2 2.75Å; R482-D498 PolarHBondContact NE-OD2 2.89Å; R482-D498 IonicContact NH2-OD1 3.94Å; R482-D498 IonicContact NH2-OD2 3.97Å; R482-D498 PolarHBondContact NH2-OD2 3.1Å; L484-D498 HydrophobicContact CD2-CB 3.97Å; I495-D498 HydrophobicContact CG2-CB 4.1Å; D498-T500 PolarHBondContact OD1-OG1 2.99Å
499	M	97.9	Very high	89.8	Confident	84 Å²	84	48.4 Å²	48.4	41%	0.414	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.9	175.9	-62.9	-179.8	-65	0	0	107.8	R482 V483	R482-M499 CarbonylContact C-O 3.6Å; R482-M499 VanDerWaalsContact CA-O 3.29Å; R482-M499 WeakPolarHBondContact CA-O 3.46Å; V483-M499 HydrophobicContact CB-CB 4.41Å; V483-M499 HydrophobicContact CB-CE 3.83Å; V483-M499 HydrophobicContact CG1-CE 3.74Å; V483-M499 PolarHBondContact N-O 2.82Å; V483-M499 PolarHBondContact O-N 2.78Å
500	T	96.5	Very high	89.8	Confident	8 Å²	8	46.7 Å²	46.7	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.5	-179.3	-57.5	0	0	0	0	110.7	T378 I379 S380 R482 D498 F502	T378-T500 PolarHBondContact O-N 2.87Å; I379-T500 CarbonylContact C-O 3.53Å; I379-T500 VanDerWaalsContact CA-O 3.3Å; I379-T500 WeakPolarHBondContact CA-O 3.32Å; I379-T500 HydrophobicContact CD1-CG2 4.21Å; S380-T500 PolarHBondContact N-O 2.57Å; R482-T500 PolarHBondContact NE-OG1 2.95Å; D498-T500 PolarHBondContact OD1-OG1 2.99Å; T500-F502 HydrophobicContact CG2-CD2 4.13Å; T500-F502 HydrophobicContact CG2-CE1 4.04Å; T500-F502 HydrophobicContact CG2-CE2 3.51Å; T500-F502 HydrophobicContact CG2-CZ 3.46Å; T500-F502 VanDerWaalsContact CG2-CZ 3.46Å
501	Y	94.1	Very high	90.1	Very high	75 Å²	75	42.2 Å²	42.2	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.1	177.8	169.4	-103.5	0	0	0	110.1	S380 N382 F480 G481 C503	S380-Y501 WeakPolarHBondContact O-CA 3.38Å; N382-Y501 HydrophobicContact CB-CE2 3.85Å; N382-Y501 WeakPolarHBondContact CB-OH 3.32Å; N382-Y501 PolarHBondContact ND2-OH 3.36Å; F480-Y501 CarbonylContact C-O 3.57Å; F480-Y501 WeakPolarHBondContact CA-O 3.21Å; F480-Y501 WeakPolarHBondContact CB-O 3.29Å; G481-Y501 PolarHBondContact N-O 3.18Å; G481-Y501 PolarHBondContact O-N 3Å; Y501-C503 HydrophobicContact CE1-CB 3.59Å; Y501-C503 WeakPolarHBondContact OH-CB 3.48Å; Y501-C503 PolarHBondContact OH-SG 3.27Å
502	F	92.7	Very high	90.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.7	173.9	-56.9	-78.2	0	0	0	111.7	I379 S380 L381 N382 I392 W398 I437 I440 F467 F480 T500	I379-F502 HydrophobicContact CD1-CE2 4.48Å; I379-F502 HydrophobicContact CG2-CD2 4.15Å; I379-F502 HydrophobicContact CG2-CE2 4.27Å; S380-F502 PolarHBondContact O-N 3.1Å; L381-F502 WeakPolarHBondContact CA-O 3.37Å; L381-F502 HydrophobicContact CD2-CB 3.76Å; L381-F502 HydrophobicContact CD2-CD2 4.26Å; L381-F502 HydrophobicContact CD2-CG 4.48Å; N382-F502 PolarHBondContact N-O 2.73Å; I392-F502 HydrophobicContact CD1-CB 3.47Å; I392-F502 VanDerWaalsContact CD1-CB 3.47Å; I392-F502 HydrophobicContact CD1-CG 4.46Å; W398-F502 HydrophobicContact CH2-CD1 4.2Å; W398-F502 HydrophobicContact CH2-CE1 4.27Å; W398-F502 HydrophobicContact CH2-CG 4.35Å; W398-F502 HydrophobicContact CH2-CZ 4.48Å; W398-F502 HydrophobicContact CZ3-CB 4.19Å; W398-F502 HydrophobicContact CZ3-CD1 4.15Å; W398-F502 AromaticContact CZ3-CD2 3.87Å; W398-F502 HydrophobicContact CZ3-CD2 3.87Å; W398-F502 HydrophobicContact CZ3-CE1 4.47Å; W398-F502 HydrophobicContact CZ3-CE2 4.21Å; W398-F502 AromaticContact CZ3-CG 3.83Å; W398-F502 HydrophobicContact CZ3-CG 3.83Å; W398-F502 HydrophobicContact CZ3-CZ 4.49Å; I437-F502 HydrophobicContact CD1-CE2 4.02Å; I440-F502 HydrophobicContact CD1-CE1 4.37Å; F467-F502 HydrophobicContact CD1-CD1 4.49Å; F467-F502 AromaticContact CE1-CD1 3.58Å; F467-F502 HydrophobicContact CE1-CD1 3.58Å; F467-F502 HydrophobicContact CE1-CE1 4.18Å; F467-F502 AromaticContact CZ-CD1 3.7Å; F467-F502 HydrophobicContact CZ-CD1 3.7Å; F467-F502 HydrophobicContact CZ-CE1 4.29Å; F480-F502 HydrophobicContact CB-CD1 3.73Å; F480-F502 HydrophobicContact CB-CE1 4.05Å; T500-F502 HydrophobicContact CG2-CD2 4.13Å; T500-F502 HydrophobicContact CG2-CE1 4.04Å; T500-F502 HydrophobicContact CG2-CE2 3.51Å; T500-F502 HydrophobicContact CG2-CZ 3.46Å; T500-F502 VanDerWaalsContact CG2-CZ 3.46Å
503	C	88.4	Confident	90.5	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.9	-177.3	-169.1	0	0	0	0	111.9	N382 E479 Y501	N382-C503 HydrophobicContact CB-CB 4.14Å; E479-C503 PolarHBondContact N-O 3.5Å; E479-C503 PolarHBondContact O-N 2.61Å; E479-C503 VanDerWaalsContact O-O 3.13Å; Y501-C503 HydrophobicContact CE1-CB 3.59Å; Y501-C503 WeakPolarHBondContact OH-CB 3.48Å; Y501-C503 PolarHBondContact OH-SG 3.27Å
504	G	86	Confident	90.4	Very high	7 Å²	7	40.9 Å²	40.9	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	151	164.3	0	0	0	0	0	109.8	S390	S390-G504 WeakPolarHBondContact O-CA 3.2Å
505	T	86.2	Confident	89.9	Confident	17 Å²	17	42.6 Å²	42.6	10%	0.104	23%	0.232	C	C	.	.			trans	-131	165.4	173.2	-167.8	0	0	0	0	110	Y466 V477	Y466-T505 HydrophobicContact CD1-CG2 4.15Å; Y466-T505 HydrophobicContact CE1-CG2 3.85Å; V477-T505 HydrophobicContact CB-CG2 4.43Å; V477-T505 HydrophobicContact CG1-CG2 4.34Å; V477-T505 WeakPolarHBondContact O-CG2 3.2Å
506	S	80.4	Confident	89.5	Confident	42 Å²	42	45.1 Å²	45.1	29%	0.294	25%	0.249	S	C	.	.			trans	-93.2	152.5	173.3	75.1	0	0	0	0	110.5	R508 A509 Y510	S506-R508 PolarHBondContact O-N 2.94Å; S506-R508 VanDerWaalsContact O-N 3.13Å; S506-A509 PolarHBondContact O-N 2.92Å; S506-A509 WeakPolarHBondContact OG-CB 3.45Å; S506-A509 PolarHBondContact OG-N 3.25Å; S506-Y510 PolarHBondContact O-N 3.35Å; S506-Y510 VanDerWaalsContact O-N 3.1Å
507	I	79.4	Confident	89.1	Confident	131 Å²	131	43.7 Å²	43.7	67%	0.672	24%	0.242	S	C	*	.	H	α-helix	trans	-55.8	-30.7	174.1	-167.5	71.9	0	0	0	112	G511	I507-G511 PolarHBondContact O-N 2.88Å; I507-G511 VanDerWaalsContact O-N 3.1Å
508	R	75.5	Confident	88.7	Confident	119 Å²	119	48.6 Å²	48.6	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-72.7	-53.6	179.2	-179.7	177.2	177.2	-164.5	5.6	111.2	E304 S506 Y510 G511 D512	E304-R508 IonicContact OE1-CZ 2.74Å; E304-R508 IonicContact OE1-NH2 2.77Å; E304-R508 PolarHBondContact OE1-NH2 3.47Å; E304-R508 IonicContact OE2-CZ 3.28Å; E304-R508 IonicContact OE2-NH1 3.43Å; E304-R508 IonicContact OE2-NH2 2.98Å; E304-R508 PolarHBondContact OE2-NH2 3.23Å; S506-R508 PolarHBondContact O-N 2.94Å; S506-R508 VanDerWaalsContact O-N 3.13Å; R508-Y510 VanDerWaalsContact C-N 3.29Å; R508-Y510 PolarHBondContact O-N 3.29Å; R508-G511 PolarHBondContact O-N 2.83Å; R508-D512 WeakPolarHBondContact CG-OD2 3.38Å; R508-D512 IonicContact NE-OD2 3.26Å; R508-D512 VanDerWaalsContact O-CG 3.26Å; R508-D512 PolarHBondContact O-N 3.11Å
509	A	84.2	Confident	88.1	Confident	41 Å²	41	55.8 Å²	55.8	34%	0.339	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-44.1	179.4	0	0	0	0	0	111.9	S506 D512 Q513	S506-A509 PolarHBondContact O-N 2.92Å; S506-A509 WeakPolarHBondContact OG-CB 3.45Å; S506-A509 PolarHBondContact OG-N 3.25Å; A509-D512 PolarHBondContact O-N 2.85Å; A509-Q513 WeakPolarHBondContact O-CB 3.19Å; A509-Q513 PolarHBondContact O-N 3.02Å
510	Y	89.6	Confident	87.6	Confident	36 Å²	36	52.5 Å²	52.5	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-49.4	172.8	169.6	-107.8	0	0	0	112.2	E443 Y466 V477 S506 R508 D512 Q513 M514	E443-Y510 VanDerWaalsContact CD-OH 3.31Å; E443-Y510 PolarHBondContact OE1-OH 2.93Å; E443-Y510 PolarHBondContact OE2-OH 2.94Å; Y466-Y510 AromaticContact CD1-CD2 3.88Å; Y466-Y510 HydrophobicContact CD1-CD2 3.88Å; Y466-Y510 AromaticContact CD2-CD2 3.73Å; Y466-Y510 HydrophobicContact CD2-CD2 3.73Å; Y466-Y510 HydrophobicContact CD2-CE2 4.1Å; Y466-Y510 HydrophobicContact CE1-CD2 4.12Å; Y466-Y510 HydrophobicContact CE2-CD2 4Å; Y466-Y510 AromaticContact CG-CD2 3.67Å; Y466-Y510 HydrophobicContact CG-CD2 3.67Å; Y466-Y510 HydrophobicContact CG-CE2 4.05Å; V477-Y510 HydrophobicContact CB-CD2 4.33Å; V477-Y510 HydrophobicContact CB-CG 4.3Å; V477-Y510 HydrophobicContact CG1-CD2 3.62Å; V477-Y510 HydrophobicContact CG1-CE2 3.84Å; V477-Y510 HydrophobicContact CG1-CG 4.05Å; V477-Y510 HydrophobicContact CG2-CD1 4.16Å; V477-Y510 HydrophobicContact CG2-CD2 4.42Å; V477-Y510 HydrophobicContact CG2-CE1 4.03Å; V477-Y510 HydrophobicContact CG2-CE2 4.29Å; V477-Y510 HydrophobicContact CG2-CG 4.33Å; S506-Y510 PolarHBondContact O-N 3.35Å; S506-Y510 VanDerWaalsContact O-N 3.1Å; R508-Y510 VanDerWaalsContact C-N 3.29Å; R508-Y510 PolarHBondContact O-N 3.29Å; Y510-D512 PolarHBondContact O-N 2.88Å; Y510-Q513 PolarHBondContact O-N 2.86Å; Y510-M514 HydrophobicContact CD2-CG 3.73Å; Y510-M514 HydrophobicContact CE1-CG 4.4Å; Y510-M514 HydrophobicContact CE2-CG 3.4Å; Y510-M514 HydrophobicContact CE2-SD 3.96Å; Y510-M514 HydrophobicContact CG-CG 4.39Å; Y510-M514 WeakPolarHBondContact O-CB 3.11Å; Y510-M514 VanDerWaalsContact O-CG 3.23Å; Y510-M514 WeakPolarHBondContact O-CG 3.49Å; Y510-M514 PolarHBondContact O-N 3.19Å
511	G	87.5	Confident	87.2	Confident	34 Å²	34	56.3 Å²	56.3	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-44.4	-179.7	0	0	0	0	0	113	I507 R508 A515	I507-G511 PolarHBondContact O-N 2.88Å; I507-G511 VanDerWaalsContact O-N 3.1Å; R508-G511 PolarHBondContact O-N 2.83Å; G511-A515 WeakPolarHBondContact O-CB 3.3Å; G511-A515 PolarHBondContact O-N 2.96Å
512	D	85.8	Confident	86.8	Confident	84 Å²	84	56.1 Å²	56.1	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-46.7	-179.3	-64.6	-18.8	0	0	0	110.8	R508 A509 Y510 A515 C516	R508-D512 WeakPolarHBondContact CG-OD2 3.38Å; R508-D512 IonicContact NE-OD2 3.26Å; R508-D512 VanDerWaalsContact O-CG 3.26Å; R508-D512 PolarHBondContact O-N 3.11Å; A509-D512 PolarHBondContact O-N 2.85Å; Y510-D512 PolarHBondContact O-N 2.88Å; D512-A515 PolarHBondContact O-N 3.1Å; D512-C516 PolarHBondContact O-N 3.3Å; D512-C516 VanDerWaalsContact O-N 3.08Å; D512-C516 PolarHBondContact O-SG 3.2Å
513	Q	89.3	Confident	86.3	Confident	48 Å²	48	61.1 Å²	61.1	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-44.1	178.6	-175.1	171.1	-10.8	0	0	112.2	Y466 A509 Y510 A515 C516 L517	Y466-Q513 HydrophobicContact CE2-CB 4.15Å; Y466-Q513 HydrophobicContact CE2-CG 4.07Å; Y466-Q513 VanDerWaalsContact CZ-OE1 3.28Å; Y466-Q513 PolarHBondContact OH-OE1 2.97Å; A509-Q513 WeakPolarHBondContact O-CB 3.19Å; A509-Q513 PolarHBondContact O-N 3.02Å; Y510-Q513 PolarHBondContact O-N 2.86Å; Q513-A515 VanDerWaalsContact C-N 3.32Å; Q513-A515 PolarHBondContact O-N 3.15Å; Q513-C516 PolarHBondContact O-N 3.24Å; Q513-L517 HydrophobicContact CG-CD1 4.25Å; Q513-L517 HydrophobicContact CG-CG 4.46Å; Q513-L517 WeakPolarHBondContact O-CG 3.32Å; Q513-L517 PolarHBondContact O-N 3.42Å
514	M	92.7	Very high	86	Confident	30 Å²	30	66.4 Å²	66.4	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-39	177.9	-69.4	-57	-64.7	0	0	112	E443 S446 Y466 Y510 C516 L517 E518	E443-M514 WeakPolarHBondContact OE1-CE 3.27Å; S446-M514 VanDerWaalsContact CB-SD 3.51Å; Y466-M514 HydrophobicContact CD2-SD 4.23Å; Y510-M514 HydrophobicContact CD2-CG 3.73Å; Y510-M514 HydrophobicContact CE1-CG 4.4Å; Y510-M514 HydrophobicContact CE2-CG 3.4Å; Y510-M514 HydrophobicContact CE2-SD 3.96Å; Y510-M514 HydrophobicContact CG-CG 4.39Å; Y510-M514 WeakPolarHBondContact O-CB 3.11Å; Y510-M514 VanDerWaalsContact O-CG 3.23Å; Y510-M514 WeakPolarHBondContact O-CG 3.49Å; Y510-M514 PolarHBondContact O-N 3.19Å; M514-C516 VanDerWaalsContact C-N 3.32Å; M514-C516 PolarHBondContact O-N 3.42Å; M514-L517 PolarHBondContact O-N 3.41Å; M514-L517 HydrophobicContact SD-CD1 4.16Å; M514-E518 WeakPolarHBondContact O-CB 3.15Å; M514-E518 PolarHBondContact O-N 2.96Å
515	A	88.8	Confident	85.7	Confident	43 Å²	43	71.9 Å²	71.9	36%	0.355	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-37.5	175.1	0	0	0	0	0	112.2	G511 D512 Q513 K519	G511-A515 WeakPolarHBondContact O-CB 3.3Å; G511-A515 PolarHBondContact O-N 2.96Å; D512-A515 PolarHBondContact O-N 3.1Å; Q513-A515 VanDerWaalsContact C-N 3.32Å; Q513-A515 PolarHBondContact O-N 3.15Å; A515-K519 WeakPolarHBondContact O-CG 3.48Å; A515-K519 PolarHBondContact O-N 2.91Å
516	C	88.2	Confident	85.3	Confident	54 Å²	54	77 Å²	77	37%	0.365	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-42	174.2	-68.1	0	0	0	0	111.8	M331 D512 Q513 M514 E518 K519 L520	M331-C516 HydrophobicContact CE-CB 3.38Å; M331-C516 WeakPolarHBondContact CE-O 3.48Å; M331-C516 HydrophobicContact SD-CB 3.56Å; M331-C516 VanDerWaalsContact SD-CB 3.56Å; D512-C516 PolarHBondContact O-N 3.3Å; D512-C516 VanDerWaalsContact O-N 3.08Å; D512-C516 PolarHBondContact O-SG 3.2Å; Q513-C516 PolarHBondContact O-N 3.24Å; M514-C516 VanDerWaalsContact C-N 3.32Å; M514-C516 PolarHBondContact O-N 3.42Å; C516-E518 VanDerWaalsContact C-N 3.35Å; C516-K519 PolarHBondContact O-N 3.17Å; C516-L520 PolarHBondContact O-N 3.16Å
517	L	91	Very high	84.9	Confident	20 Å²	20	77.4 Å²	77.4	11%	0.105	40%	0.397	C	S	.	.	H	α-helix	trans	-64.6	-39	177.4	-69.7	174.2	0	0	0	111.9	M331 L448 Q513 M514 K519 L520 N521	M331-L517 HydrophobicContact CE-CD2 3.83Å; M331-L517 HydrophobicContact CE-CG 4.2Å; L448-L517 HydrophobicContact CD1-CD2 4.38Å; L448-L517 HydrophobicContact CD2-CD2 3.71Å; L448-L517 HydrophobicContact CG-CD2 4.1Å; Q513-L517 HydrophobicContact CG-CD1 4.25Å; Q513-L517 HydrophobicContact CG-CG 4.46Å; Q513-L517 WeakPolarHBondContact O-CG 3.32Å; Q513-L517 PolarHBondContact O-N 3.42Å; M514-L517 PolarHBondContact O-N 3.41Å; M514-L517 HydrophobicContact SD-CD1 4.16Å; L517-K519 PolarHBondContact O-N 3.37Å; L517-L520 PolarHBondContact O-N 3.14Å; L517-N521 WeakPolarHBondContact O-CB 3.26Å; L517-N521 PolarHBondContact O-N 3.04Å
518	E	89.7	Confident	84	Confident	132 Å²	132	73 Å²	73	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-45.9	174.6	-176	175.4	-162.6	0	0	111.4	M514 C516 L520 N521 I522	M514-E518 WeakPolarHBondContact O-CB 3.15Å; M514-E518 PolarHBondContact O-N 2.96Å; C516-E518 VanDerWaalsContact C-N 3.35Å; E518-L520 PolarHBondContact O-N 3.12Å; E518-N521 PolarHBondContact O-N 3.01Å; E518-I522 HydrophobicContact CG-CD1 4.32Å; E518-I522 WeakPolarHBondContact O-CG1 3.25Å; E518-I522 PolarHBondContact O-N 2.85Å
519	K	87.4	Confident	82.8	Confident	152 Å²	152	70.9 Å²	70.9	66%	0.661	39%	0.388	S	S	*	.	H	α-helix	trans	-60.3	-43.1	175.2	-72.5	175.8	-178.1	178.4	0	112.3	A515 C516 L517 N521 I522 Q523	A515-K519 WeakPolarHBondContact O-CG 3.48Å; A515-K519 PolarHBondContact O-N 2.91Å; C516-K519 PolarHBondContact O-N 3.17Å; L517-K519 PolarHBondContact O-N 3.37Å; K519-N521 VanDerWaalsContact C-N 3.35Å; K519-I522 PolarHBondContact O-N 3.09Å; K519-Q523 PolarHBondContact O-N 3.16Å
520	L	87.4	Confident	81.2	Confident	15 Å²	15	74.7 Å²	74.7	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-63.4	-42	175.8	-71.6	-172	0	0	0	112	M331 C516 L517 E518 I522 Q523 Y524	M331-L520 HydrophobicContact CB-CD1 4.18Å; M331-L520 HydrophobicContact CB-CD2 4.49Å; M331-L520 HydrophobicContact CE-CD1 3.19Å; M331-L520 HydrophobicContact CE-CG 3.68Å; M331-L520 HydrophobicContact CG-CD1 4.02Å; M331-L520 WeakPolarHBondContact O-CD2 3.32Å; M331-L520 HydrophobicContact SD-CD1 4.46Å; C516-L520 PolarHBondContact O-N 3.16Å; L517-L520 PolarHBondContact O-N 3.14Å; E518-L520 PolarHBondContact O-N 3.12Å; L520-I522 VanDerWaalsContact C-N 3.32Å; L520-I522 PolarHBondContact O-N 2.78Å; L520-Q523 WeakPolarHBondContact O-CB 3.45Å; L520-Q523 PolarHBondContact O-N 3.37Å; L520-Q523 VanDerWaalsContact O-N 3.14Å; L520-Y524 HydrophobicContact CB-CD2 4.37Å; L520-Y524 HydrophobicContact CB-CE2 4.21Å; L520-Y524 WeakPolarHBondContact O-CD2 3.13Å; L520-Y524 PolarHBondContact O-N 3.44Å
521	N	86.2	Confident	79.2	Confident	88 Å²	88	75.7 Å²	75.7	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-40.5	178.7	-173.2	63.6	0	0	0	111.6	L517 E518 K519 Q523 Y524 Q525	L517-N521 WeakPolarHBondContact O-CB 3.26Å; L517-N521 PolarHBondContact O-N 3.04Å; E518-N521 PolarHBondContact O-N 3.01Å; K519-N521 VanDerWaalsContact C-N 3.35Å; N521-Q523 VanDerWaalsContact C-N 3.35Å; N521-Y524 PolarHBondContact O-N 3.32Å; N521-Q525 PolarHBondContact ND2-NE2 2.79Å; N521-Q525 VanDerWaalsContact ND2-NE2 3.17Å; N521-Q525 WeakPolarHBondContact O-CB 3.22Å; N521-Q525 VanDerWaalsContact O-CG 3.26Å; N521-Q525 WeakPolarHBondContact O-CG 3.46Å; N521-Q525 PolarHBondContact O-N 3.29Å
522	I	86.6	Confident	77.2	Confident	71 Å²	71	77.2 Å²	77.2	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-44.7	172.6	-66.8	165.6	0	0	0	110.7	E518 K519 L520 Y524 Q525 Q526	E518-I522 HydrophobicContact CG-CD1 4.32Å; E518-I522 WeakPolarHBondContact O-CG1 3.25Å; E518-I522 PolarHBondContact O-N 2.85Å; K519-I522 PolarHBondContact O-N 3.09Å; L520-I522 VanDerWaalsContact C-N 3.32Å; L520-I522 PolarHBondContact O-N 2.78Å; I522-Y524 PolarHBondContact O-N 2.99Å; I522-Q525 PolarHBondContact O-N 3.05Å; I522-Q526 HydrophobicContact CG2-CG 4.5Å; I522-Q526 WeakPolarHBondContact O-CG 3.37Å; I522-Q526 PolarHBondContact O-N 3.27Å
523	Q	82.7	Confident	75	Confident	108 Å²	108	77 Å²	77	51%	0.505	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-43.1	177.9	-175.8	179.1	0.9	0	0	112.1	K519 L520 N521 Q526 A527	K519-Q523 PolarHBondContact O-N 3.16Å; L520-Q523 WeakPolarHBondContact O-CB 3.45Å; L520-Q523 PolarHBondContact O-N 3.37Å; L520-Q523 VanDerWaalsContact O-N 3.14Å; N521-Q523 VanDerWaalsContact C-N 3.35Å; Q523-Q526 PolarHBondContact O-N 3.16Å; Q523-A527 WeakPolarHBondContact O-CB 3.24Å; Q523-A527 PolarHBondContact O-N 3.27Å
524	Y	82.3	Confident	72.6	Confident	123 Å²	123	82.1 Å²	82.1	48%	0.482	45%	0.452	S	S	.	.	H	α-helix	trans	-67	-37.4	176.7	-73.9	-59.6	0	0	0	112.4	G333 L520 N521 I522 A527 G528	G333-Y524 PolarHBondContact N-OH 3Å; L520-Y524 HydrophobicContact CB-CD2 4.37Å; L520-Y524 HydrophobicContact CB-CE2 4.21Å; L520-Y524 WeakPolarHBondContact O-CD2 3.13Å; L520-Y524 PolarHBondContact O-N 3.44Å; N521-Y524 PolarHBondContact O-N 3.32Å; I522-Y524 PolarHBondContact O-N 2.99Å; Y524-A527 PolarHBondContact O-N 2.77Å; Y524-G528 PolarHBondContact O-N 3.18Å
525	Q	80.1	Confident	70	Confident	121 Å²	121	87.6 Å²	87.6	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-64.6	-40	175.1	-73.9	174.8	-7.8	0	0	112	N521 I522 S529	N521-Q525 PolarHBondContact ND2-NE2 2.79Å; N521-Q525 VanDerWaalsContact ND2-NE2 3.17Å; N521-Q525 WeakPolarHBondContact O-CB 3.22Å; N521-Q525 VanDerWaalsContact O-CG 3.26Å; N521-Q525 WeakPolarHBondContact O-CG 3.46Å; N521-Q525 PolarHBondContact O-N 3.29Å; I522-Q525 PolarHBondContact O-N 3.05Å; Q525-S529 PolarHBondContact O-N 3.44Å; Q525-S529 PolarHBondContact O-OG 2.92Å
526	Q	77.6	Confident	67.5	Low	126 Å²	126	94.3 Å²	94.3	59%	0.589	50%	0.502	S	S	*	.	H	α-helix	trans	-69.1	-39.9	175.8	-70.9	174.1	-4	0	0	112.3	I522 Q523 S529	I522-Q526 HydrophobicContact CG2-CG 4.5Å; I522-Q526 WeakPolarHBondContact O-CG 3.37Å; I522-Q526 PolarHBondContact O-N 3.27Å; Q523-Q526 PolarHBondContact O-N 3.16Å; Q526-S529 WeakPolarHBondContact CA-OG 3.49Å; Q526-S529 PolarHBondContact O-OG 2.95Å; Q526-S529 VanDerWaalsContact O-OG 3.05Å
527	A	71.1	Confident	64.9	Low	50 Å²	50	96 Å²	96	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-68.6	-43.4	176.3	0	0	0	0	0	112.1	Q523 Y524 S529 I530 S531	Q523-A527 WeakPolarHBondContact O-CB 3.24Å; Q523-A527 PolarHBondContact O-N 3.27Å; Y524-A527 PolarHBondContact O-N 2.77Å; A527-S529 VanDerWaalsContact C-N 3.29Å; A527-S529 PolarHBondContact O-N 3.11Å; A527-I530 PolarHBondContact O-N 2.8Å; A527-I530 VanDerWaalsContact O-N 3.17Å; A527-S531 PolarHBondContact O-N 2.77Å; A527-S531 PolarHBondContact O-OG 2.62Å
528	G	59.9	Low	62	Low	38 Å²	38	103.4 Å²	103.4	39%	0.392	55%	0.553	S	S	.	*	H	α-helix	trans	-65.2	-31.2	-179.4	0	0	0	0	0	113.4	Y524 I530 S531 S532	Y524-G528 PolarHBondContact O-N 3.18Å; G528-I530 VanDerWaalsContact C-N 3.28Å; G528-I530 PolarHBondContact O-N 3.29Å; G528-S531 PolarHBondContact O-N 2.95Å; G528-S532 PolarHBondContact O-N 2.92Å; G528-S532 PolarHBondContact O-OG 3.05Å
529	S	52.1	Low	59.1	Low	75 Å²	75	100.8 Å²	100.8	52%	0.524	56%	0.562	S	S	.	*	H	α-helix	trans	-68.7	-25.9	176.2	28.8	0	0	0	0	113	Q525 Q526 A527 S532	Q525-S529 PolarHBondContact O-N 3.44Å; Q525-S529 PolarHBondContact O-OG 2.92Å; Q526-S529 WeakPolarHBondContact CA-OG 3.49Å; Q526-S529 PolarHBondContact O-OG 2.95Å; Q526-S529 VanDerWaalsContact O-OG 3.05Å; A527-S529 VanDerWaalsContact C-N 3.29Å; A527-S529 PolarHBondContact O-N 3.11Å; S529-S532 WeakPolarHBondContact CA-OG 3.41Å; S529-S532 PolarHBondContact O-OG 3.24Å; S529-S532 VanDerWaalsContact O-OG 3.14Å
530	I	49.3	Very low	56.3	Low	120 Å²	120	99.7 Å²	99.7	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-73.9	-44.3	172.3	-56.5	166.6	0	0	0	109.9	A527 G528 S532 A533	A527-I530 PolarHBondContact O-N 2.8Å; A527-I530 VanDerWaalsContact O-N 3.17Å; G528-I530 VanDerWaalsContact C-N 3.28Å; G528-I530 PolarHBondContact O-N 3.29Å; I530-S532 PolarHBondContact O-N 3.03Å; I530-A533 PolarHBondContact O-N 3.16Å
531	S	48.3	Very low	53.7	Low	57 Å²	57	103.8 Å²	103.8	40%	0.399	61%	0.609	S	S	.	*	H	α-helix	trans	-68.1	-31	-178.4	-51.5	0	0	0	0	113.9	A527 G528 A533 E534 Q535	A527-S531 PolarHBondContact O-N 2.77Å; A527-S531 PolarHBondContact O-OG 2.62Å; G528-S531 PolarHBondContact O-N 2.95Å; S531-A533 PolarHBondContact O-N 3.49Å; S531-E534 PolarHBondContact O-N 2.62Å; S531-Q535 PolarHBondContact O-N 3.33Å; S531-Q535 VanDerWaalsContact O-N 3.14Å
532	S	44.5	Very low	51.1	Low	67 Å²	67	103.8 Å²	103.8	47%	0.469	62%	0.622	S	S	.	*	H	α-helix	trans	-67.3	-20.8	177.8	38.6	0	0	0	0	114.2	G528 S529 I530 E534	G528-S532 PolarHBondContact O-N 2.92Å; G528-S532 PolarHBondContact O-OG 3.05Å; S529-S532 WeakPolarHBondContact CA-OG 3.41Å; S529-S532 PolarHBondContact O-OG 3.24Å; S529-S532 VanDerWaalsContact O-OG 3.14Å; I530-S532 PolarHBondContact O-N 3.03Å; S532-E534 VanDerWaalsContact C-N 3.35Å
533	A	41.1	Very low	48.7	Very low	80 Å²	80	105.8 Å²	105.8	66%	0.661	65%	0.649	S	S	*	*	H	α-helix	trans	-73.2	-28.2	174.6	0	0	0	0	0	112.4	I530 S531	I530-A533 PolarHBondContact O-N 3.16Å; S531-A533 PolarHBondContact O-N 3.49Å
534	E	38.2	Very low	46.7	Very low	154 Å²	154	106 Å²	106	72%	0.72	66%	0.658	S	S	*	*	H	α-helix	trans	-94.7	-28.4	-178	-68.1	177.9	156.6	0	0	112.5	S531 S532 Q536	S531-E534 PolarHBondContact O-N 2.62Å; S532-E534 VanDerWaalsContact C-N 3.35Å; E534-Q536 VanDerWaalsContact C-N 3.33Å; E534-Q536 PolarHBondContact O-N 3.02Å
535	Q	38.4	Very low	45.2	Very low	145 Å²	145	104.3 Å²	104.3	68%	0.678	66%	0.66	S	S	*	*	H	α-helix	trans	-78.7	-8.9	-177.4	-73.1	-175.2	-10.1	0	0	115.1	S531 A537	S531-Q535 PolarHBondContact O-N 3.33Å; S531-Q535 VanDerWaalsContact O-N 3.14Å; Q535-A537 PolarHBondContact O-N 3Å; Q535-A537 VanDerWaalsContact O-N 3.07Å
536	Q	34.8	Very low	43.9	Very low	184 Å²	184	99.7 Å²	99.7	86%	0.86	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-1.1	172.6	-109.2	178.2	-13.6	0	0	113.9	E534	E534-Q536 VanDerWaalsContact C-N 3.33Å; E534-Q536 PolarHBondContact O-N 3.02Å
537	A	33.7	Very low	42.8	Very low	89 Å²	89	94 Å²	94	74%	0.736	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	1.9	179.9	0	0	0	0	0	115.9	Q535	Q535-A537 PolarHBondContact O-N 3Å; Q535-A537 VanDerWaalsContact O-N 3.07Å
538	Q	30.5	Very low	41.7	Very low	176 Å²	176	94.9 Å²	94.9	82%	0.822	62%	0.617	S	S	*	*			trans	-127.3	122.3	-178.6	-82.1	178.8	-32.6	0	0	113.5
539	G	28.7	Very low	40.7	Very low	77 Å²	77	97.8 Å²	97.8	79%	0.794	62%	0.624	S	S	*	*			trans	-75	176.2	-171.5	0	0	0	0	0	116.1	A541	G539-A541 PolarHBondContact O-N 3.48Å
540	S	29.7	Very low	40	Very low	129 Å²	129	99.4 Å²	99.4	90%	0.902	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-61.9	117	-169.8	64.9	0	0	0	0	113.7
541	A	32.8	Very low	39.5	Very low	101 Å²	101	99.2 Å²	99.2	84%	0.835	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-87.4	140.2	166.8	0	0	0	0	0	110.9	G539	G539-A541 PolarHBondContact O-N 3.48Å
542	A	31.4	Very low	39	Very low	89 Å²	89	101.9 Å²	101.9	74%	0.736	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-65.2	156.8	-178	0	0	0	0	0	113.3	T544	A542-T544 PolarHBondContact O-N 3.21Å
543	A	36.5	Very low	38.8	Very low	113 Å²	113	102.9 Å²	102.9	93%	0.934	66%	0.655	S	S	*	*			trans	-61.8	90.1	-179.3	0	0	0	0	0	112.5
544	T	39	Very low	38.8	Very low	113 Å²	113	103.8 Å²	103.8	69%	0.693	65%	0.646	S	S	*	*			trans	-80.1	144.3	161.8	35.8	0	0	0	0	109.9	A542	A542-T544 PolarHBondContact O-N 3.21Å
545	T	51	Low	39.1	Very low	86 Å²	86	104.3 Å²	104.3	53%	0.528	65%	0.648	S	S	.	*			trans	-61.6	124.3	172.2	39.2	0	0	0	0	109.8	F547 S548	T545-F547 PolarHBondContact O-N 3.12Å; T545-F547 VanDerWaalsContact O-N 3.08Å; T545-S548 PolarHBondContact O-N 3.39Å; T545-S548 PolarHBondContact O-OG 3.5Å; T545-S548 PolarHBondContact OG1-OG 2.78Å; T545-S548 VanDerWaalsContact OG1-OG 3.1Å
546	P	53.2	Low	39.7	Very low	24 Å²	24	104.4 Å²	104.4	16%	0.156	66%	0.658	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-26	-173.2	11	-20.9	0	0	0	114.1	P340 I341 Y488	P340-P546 HydrophobicContact CB-CB 3.68Å; I341-P546 VanDerWaalsContact CD1-O 3.32Å; I341-P546 WeakPolarHBondContact CD1-O 3.46Å; I341-P546 HydrophobicContact CG1-CB 3.99Å; I341-P546 VanDerWaalsContact CG1-O 3.24Å; I341-P546 WeakPolarHBondContact CG1-O 3.41Å; Y488-P546 HydrophobicContact CE2-CG 4.02Å; Y488-P546 WeakPolarHBondContact OH-CD 3.33Å
547	F	54.4	Low	41	Very low	8 Å²	8	99.7 Å²	99.7	4%	0.035	64%	0.638	C	S	.	*	T	Hydrogen-bonded Turn	trans	-98	-0.3	-172.9	-73.8	-98.4	0	0	0	114.7	I341 L454 E456 A459 Y488 L493 T545 N549	I341-F547 HydrophobicContact CD1-CD1 4.47Å; I341-F547 HydrophobicContact CD1-CE1 4.49Å; I341-F547 HydrophobicContact CG1-CD2 4.38Å; I341-F547 HydrophobicContact CG1-CE1 4.48Å; I341-F547 HydrophobicContact CG1-CE2 4.19Å; I341-F547 HydrophobicContact CG1-CZ 4.23Å; I341-F547 HydrophobicContact CG2-CE1 4.45Å; I341-F547 HydrophobicContact CG2-CZ 4.08Å; L454-F547 HydrophobicContact CD1-CD1 3.42Å; L454-F547 VanDerWaalsContact CD1-CD1 3.42Å; L454-F547 HydrophobicContact CD1-CE1 3.65Å; E456-F547 VanDerWaalsContact O-O 3.06Å; A459-F547 HydrophobicContact CB-CE1 3.96Å; Y488-F547 HydrophobicContact CD1-CB 3.89Å; Y488-F547 AromaticContact CD1-CD2 3.51Å; Y488-F547 HydrophobicContact CD1-CD2 3.51Å; Y488-F547 HydrophobicContact CD1-CE2 4.31Å; Y488-F547 AromaticContact CD1-CG 3.85Å; Y488-F547 HydrophobicContact CD1-CG 3.85Å; Y488-F547 AromaticContact CD2-CD2 3.26Å; Y488-F547 HydrophobicContact CD2-CD2 3.26Å; Y488-F547 AromaticContact CD2-CE2 3.19Å; Y488-F547 HydrophobicContact CD2-CE2 3.19Å; Y488-F547 HydrophobicContact CD2-CG 4.2Å; Y488-F547 HydrophobicContact CD2-CZ 4.1Å; Y488-F547 AromaticContact CE1-CD2 3.96Å; Y488-F547 HydrophobicContact CE1-CD2 3.96Å; Y488-F547 AromaticContact CE2-CD2 3.73Å; Y488-F547 HydrophobicContact CE2-CD2 3.73Å; Y488-F547 AromaticContact CE2-CE2 3.78Å; Y488-F547 HydrophobicContact CE2-CE2 3.78Å; Y488-F547 HydrophobicContact CG-CB 4.18Å; Y488-F547 HydrophobicContact CG-CD1 4.33Å; Y488-F547 AromaticContact CG-CD2 3.11Å; Y488-F547 HydrophobicContact CG-CD2 3.11Å; Y488-F547 AromaticContact CG-CE2 3.49Å; Y488-F547 HydrophobicContact CG-CE2 3.49Å; Y488-F547 VanDerWaalsContact CG-CE2 3.49Å; Y488-F547 AromaticContact CG-CG 3.62Å; Y488-F547 HydrophobicContact CG-CG 3.62Å; Y488-F547 HydrophobicContact CG-CZ 4.26Å; L493-F547 HydrophobicContact CD2-CE2 4.16Å; L493-F547 HydrophobicContact CD2-CZ 3.78Å; T545-F547 PolarHBondContact O-N 3.12Å; T545-F547 VanDerWaalsContact O-N 3.08Å; F547-N549 PolarHBondContact O-N 3.44Å; F547-N549 VanDerWaalsContact O-N 3.1Å
548	S	47.8	Very low	43.1	Very low	67 Å²	67	98 Å²	98	47%	0.469	62%	0.621	S	S	.	*			trans	-77	101.8	174	54.4	0	0	0	0	109.8	T545 N550	T545-S548 PolarHBondContact O-N 3.39Å; T545-S548 PolarHBondContact O-OG 3.5Å; T545-S548 PolarHBondContact OG1-OG 2.78Å; T545-S548 VanDerWaalsContact OG1-OG 3.1Å; S548-N550 PolarHBondContact O-N 3.23Å
549	N	39.2	Very low	45.7	Very low	100 Å²	100	95.2 Å²	95.2	54%	0.535	61%	0.606	S	S	.	*			trans	-60.8	102.7	162.2	-87.3	-11.9	0	0	0	107.8	F547 P551	F547-N549 PolarHBondContact O-N 3.44Å; F547-N549 VanDerWaalsContact O-N 3.1Å; N549-P551 WeakPolarHBondContact O-CD 3.37Å
550	N	36.9	Very low	48.4	Very low	109 Å²	109	97.4 Å²	97.4	58%	0.583	60%	0.599	S	S	*	*			trans	-91	106.6	157.6	-165.2	-3.5	0	0	0	106	S548 N552 A553	S548-N550 PolarHBondContact O-N 3.23Å; N550-N552 PolarHBondContact O-N 3.47Å; N550-A553 PolarHBondContact O-N 3.21Å; N550-A553 VanDerWaalsContact O-N 3.12Å
551	P	38.6	Very low	51.1	Low	115 Å²	115	94.6 Å²	94.6	75%	0.747	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-8.6	-179.5	2.6	-1.3	0	0	0	113.6	N549	N549-P551 WeakPolarHBondContact O-CD 3.37Å
552	N	39.6	Very low	53.7	Low	114 Å²	114	90.7 Å²	90.7	61%	0.61	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	8.4	177	-71.5	-15.5	0	0	0	115	N550 Q554	N550-N552 PolarHBondContact O-N 3.47Å; N552-Q554 PolarHBondContact O-N 3.03Å
553	A	39.4	Very low	56.5	Low	88 Å²	88	87.9 Å²	87.9	73%	0.727	51%	0.514	S	S	*	.			trans	-76.1	61.9	163.3	0	0	0	0	0	109.5	N550 E555	N550-A553 PolarHBondContact O-N 3.21Å; N550-A553 VanDerWaalsContact O-N 3.12Å; A553-E555 PolarHBondContact O-N 3.15Å
554	Q	40	Very low	59.1	Low	99 Å²	99	85.3 Å²	85.3	46%	0.463	49%	0.493	S	S	.	.			trans	-56.7	120.4	165.5	-75.5	176	-35	0	0	106.5	N552 V556	N552-Q554 PolarHBondContact O-N 3.03Å; Q554-V556 PolarHBondContact O-N 2.64Å; Q554-V556 VanDerWaalsContact O-N 3.09Å
555	E	45.9	Very low	61.4	Low	165 Å²	165	84 Å²	84	77%	0.771	48%	0.479	S	S	*	.			trans	-42.8	124.2	154.4	-78.6	-179.9	149.3	0	0	105.9	A553 I557	A553-E555 PolarHBondContact O-N 3.15Å; E555-I557 HydrophobicContact CB-CG1 4.35Å; E555-I557 PolarHBondContact O-N 2.82Å
556	V	51.1	Low	63.3	Low	146 Å²	146	79.9 Å²	79.9	89%	0.885	45%	0.454	S	S	*	.			trans	-70.7	72.9	179.3	-175	0	0	0	0	106.8	Q554 S558	Q554-V556 PolarHBondContact O-N 2.64Å; Q554-V556 VanDerWaalsContact O-N 3.09Å; V556-S558 PolarHBondContact O-N 3.2Å
557	I	61.5	Low	65.1	Low	85 Å²	85	79.5 Å²	79.5	44%	0.436	45%	0.453	S	S	.	.			trans	-60.6	123.2	165.1	-61.9	171.4	0	0	0	103.8	E555 K559 T561 M562	E555-I557 HydrophobicContact CB-CG1 4.35Å; E555-I557 PolarHBondContact O-N 2.82Å; I557-K559 PolarHBondContact O-N 3.09Å; I557-T561 WeakPolarHBondContact CG2-OG1 3.37Å; I557-M562 HydrophobicContact CB-CE 3.8Å; I557-M562 HydrophobicContact CB-CG 4.27Å; I557-M562 HydrophobicContact CG2-CE 4.28Å; I557-M562 HydrophobicContact CG2-CG 3.68Å
558	S	78.9	Confident	66.8	Low	54 Å²	54	86.3 Å²	86.3	38%	0.378	48%	0.482	S	S	.	.			trans	-57.5	140.5	-177.7	82.9	0	0	0	0	108.9	V556 D560 T561 M562	V556-S558 PolarHBondContact O-N 3.2Å; S558-D560 PolarHBondContact O-N 3.29Å; S558-D560 VanDerWaalsContact O-N 3.08Å; S558-T561 PolarHBondContact N-OG1 2.98Å; S558-T561 PolarHBondContact O-N 3.39Å; S558-T561 PolarHBondContact O-OG1 2.86Å; S558-T561 PolarHBondContact OG-N 3.42Å; S558-T561 PolarHBondContact OG-OG1 2.93Å; S558-T561 VanDerWaalsContact OG-OG1 3.07Å; S558-M562 PolarHBondContact O-N 3.18Å; S558-M562 VanDerWaalsContact O-N 3.14Å
559	K	84.9	Confident	68.7	Low	117 Å²	117	88 Å²	88	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-50.9	-36.7	177.4	-72.8	-174.8	169.3	-169.4	0	111.7	I557 T561 M562 I563 W586	I557-K559 PolarHBondContact O-N 3.09Å; K559-T561 PolarHBondContact O-N 3.42Å; K559-M562 PolarHBondContact O-N 3.42Å; K559-I563 WeakPolarHBondContact O-CD1 3.4Å; K559-I563 WeakPolarHBondContact O-CG1 3.33Å; K559-I563 PolarHBondContact O-N 2.83Å; K559-W586 HydrophobicContact CB-CE3 4.13Å; K559-W586 HydrophobicContact CB-CH2 3.65Å; K559-W586 HydrophobicContact CB-CZ2 4.45Å; K559-W586 HydrophobicContact CB-CZ3 3.45Å; K559-W586 VanDerWaalsContact CB-CZ3 3.45Å; K559-W586 HydrophobicContact CD-CD2 4.16Å; K559-W586 HydrophobicContact CD-CE3 4.21Å; K559-W586 HydrophobicContact CD-CH2 3.67Å; K559-W586 HydrophobicContact CD-CZ2 3.6Å; K559-W586 HydrophobicContact CD-CZ3 3.99Å; K559-W586 HydrophobicContact CG-CD2 4.09Å; K559-W586 HydrophobicContact CG-CE3 3.72Å; K559-W586 HydrophobicContact CG-CH2 3.75Å; K559-W586 HydrophobicContact CG-CZ2 4.12Å; K559-W586 HydrophobicContact CG-CZ3 3.54Å
560	D	85.1	Confident	71	Confident	123 Å²	123	84 Å²	84	66%	0.658	46%	0.464	S	S	*	.	H	α-helix	trans	-63.3	-40.7	177.5	-58.6	-36.1	0	0	0	113.1	S558 I563 A564	S558-D560 PolarHBondContact O-N 3.29Å; S558-D560 VanDerWaalsContact O-N 3.08Å; D560-I563 PolarHBondContact O-N 3.3Å; D560-A564 WeakPolarHBondContact O-CB 3.49Å; D560-A564 PolarHBondContact O-N 2.99Å
561	T	85.6	Confident	73.4	Confident	71 Å²	71	80.8 Å²	80.8	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-69.3	-38.1	176.6	48	0	0	0	0	112.1	I557 S558 K559 A564 E565	I557-T561 WeakPolarHBondContact CG2-OG1 3.37Å; S558-T561 PolarHBondContact N-OG1 2.98Å; S558-T561 PolarHBondContact O-N 3.39Å; S558-T561 PolarHBondContact O-OG1 2.86Å; S558-T561 PolarHBondContact OG-N 3.42Å; S558-T561 PolarHBondContact OG-OG1 2.93Å; S558-T561 VanDerWaalsContact OG-OG1 3.07Å; K559-T561 PolarHBondContact O-N 3.42Å; T561-A564 PolarHBondContact O-N 3.26Å; T561-E565 PolarHBondContact O-N 3.09Å; T561-E565 VanDerWaalsContact O-N 3.08Å
562	M	87.2	Confident	75.9	Confident	19 Å²	19	75.8 Å²	75.8	9%	0.094	42%	0.424	C	S	.	.	H	α-helix	trans	-62.9	-43.4	171.7	-68.5	-167.7	-158.4	0	0	111.9	I557 S558 K559 A564 E565 M566 L581 W586 F588	I557-M562 HydrophobicContact CB-CE 3.8Å; I557-M562 HydrophobicContact CB-CG 4.27Å; I557-M562 HydrophobicContact CG2-CE 4.28Å; I557-M562 HydrophobicContact CG2-CG 3.68Å; S558-M562 PolarHBondContact O-N 3.18Å; S558-M562 VanDerWaalsContact O-N 3.14Å; K559-M562 PolarHBondContact O-N 3.42Å; M562-A564 VanDerWaalsContact C-N 3.33Å; M562-A564 PolarHBondContact O-N 3.47Å; M562-E565 PolarHBondContact O-N 2.84Å; M562-M566 VanDerWaalsContact O-CB 3.23Å; M562-M566 WeakPolarHBondContact O-CB 3.2Å; M562-M566 PolarHBondContact O-N 3.28Å; M562-L581 HydrophobicContact CB-CD1 3.86Å; M562-W586 HydrophobicContact SD-CE3 4.16Å; M562-F588 HydrophobicContact CB-CD2 4.35Å
563	I	91.5	Very high	78.4	Confident	29 Å²	29	73.3 Å²	73.3	15%	0.149	41%	0.408	C	S	.	.	H	α-helix	trans	-60.7	-44.7	178	-68.5	162.3	0	0	0	110.5	K559 D560 M566 A567 P574 A577 A578 L581 W586	K559-I563 WeakPolarHBondContact O-CD1 3.4Å; K559-I563 WeakPolarHBondContact O-CG1 3.33Å; K559-I563 PolarHBondContact O-N 2.83Å; D560-I563 PolarHBondContact O-N 3.3Å; I563-M566 PolarHBondContact O-N 3.01Å; I563-A567 VanDerWaalsContact O-CB 3.27Å; I563-A567 WeakPolarHBondContact O-CB 3.27Å; I563-A567 PolarHBondContact O-N 2.99Å; I563-P574 HydrophobicContact CG2-CB 4.14Å; I563-P574 WeakPolarHBondContact CG2-O 3.49Å; I563-A577 HydrophobicContact CG2-CB 4.33Å; I563-A578 HydrophobicContact CD1-CB 3.78Å; I563-A578 HydrophobicContact CG1-CB 3.9Å; I563-A578 HydrophobicContact CG2-CB 4.45Å; I563-L581 HydrophobicContact CB-CD1 4.49Å; I563-L581 HydrophobicContact CG1-CD1 3.93Å; I563-W586 HydrophobicContact CD1-CH2 4Å; I563-W586 HydrophobicContact CD1-CZ3 4.29Å; I563-W586 HydrophobicContact CG1-CH2 4.2Å; I563-W586 HydrophobicContact CG1-CZ3 4.08Å
564	A	89.4	Confident	80.9	Confident	60 Å²	60	73.1 Å²	73.1	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-46.2	-179.6	0	0	0	0	0	112.4	D560 T561 M562 K568	D560-A564 WeakPolarHBondContact O-CB 3.49Å; D560-A564 PolarHBondContact O-N 2.99Å; T561-A564 PolarHBondContact O-N 3.26Å; M562-A564 VanDerWaalsContact C-N 3.33Å; M562-A564 PolarHBondContact O-N 3.47Å; A564-K568 VanDerWaalsContact O-CB 3.29Å; A564-K568 WeakPolarHBondContact O-CB 3.28Å; A564-K568 PolarHBondContact O-N 3.06Å
565	E	89.1	Confident	83.3	Confident	84 Å²	84	73.2 Å²	73.2	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-66.6	-39.9	176	-81.8	-64.2	146.7	0	0	111.7	T561 M562 K568 I569 F588	T561-E565 PolarHBondContact O-N 3.09Å; T561-E565 VanDerWaalsContact O-N 3.08Å; M562-E565 PolarHBondContact O-N 2.84Å; E565-K568 PolarHBondContact O-N 3.22Å; E565-K568 IonicContact OE1-NZ 2.83Å; E565-K568 PolarHBondContact OE1-NZ 3.24Å; E565-K568 VanDerWaalsContact OE1-NZ 3.14Å; E565-K568 IonicContact OE2-NZ 3.23Å; E565-I569 WeakPolarHBondContact O-CG1 3.38Å; E565-I569 PolarHBondContact O-N 3.12Å; E565-F588 HydrophobicContact CB-CE2 3.98Å; E565-F588 HydrophobicContact CB-CZ 3.9Å
566	M	90.4	Very high	85.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-44.6	176.8	-173.1	63.3	171.9	0	0	111.6	M562 I563 K568 I569 T570 M572 A577 C580 L581 F588 A591 F595	M562-M566 VanDerWaalsContact O-CB 3.23Å; M562-M566 WeakPolarHBondContact O-CB 3.2Å; M562-M566 PolarHBondContact O-N 3.28Å; I563-M566 PolarHBondContact O-N 3.01Å; M566-K568 VanDerWaalsContact C-N 3.3Å; M566-K568 PolarHBondContact O-N 2.93Å; M566-I569 PolarHBondContact O-N 3.43Å; M566-T570 HydrophobicContact CE-CG2 3.63Å; M566-T570 HydrophobicContact CG-CG2 4.32Å; M566-T570 WeakPolarHBondContact O-CB 3.49Å; M566-T570 WeakPolarHBondContact O-CG2 3.27Å; M566-T570 PolarHBondContact O-N 3.35Å; M566-T570 PolarHBondContact O-OG1 3.39Å; M566-T570 HydrophobicContact SD-CG2 3.68Å; M566-M572 HydrophobicContact CE-CE 4.12Å; M566-A577 HydrophobicContact CB-CB 4.12Å; M566-A577 HydrophobicContact CG-CB 4Å; M566-C580 HydrophobicContact CE-CB 4.21Å; M566-C580 WeakPolarHBondContact CE-SG 3.33Å; M566-L581 HydrophobicContact CB-CD1 3.98Å; M566-L581 HydrophobicContact CB-CG 4.33Å; M566-L581 HydrophobicContact CG-CD1 4.35Å; M566-L581 HydrophobicContact CG-CD2 4.49Å; M566-L581 HydrophobicContact CG-CG 4.2Å; M566-F588 HydrophobicContact CB-CE2 3.97Å; M566-A591 HydrophobicContact CE-CB 3.94Å; M566-F595 HydrophobicContact CE-CB 4.02Å
567	A	90.2	Very high	87.5	Confident	17 Å²	17	61.6 Å²	61.6	14%	0.14	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-39.5	176.2	0	0	0	0	0	111.7	I563 G571 M572 A577	I563-A567 VanDerWaalsContact O-CB 3.27Å; I563-A567 WeakPolarHBondContact O-CB 3.27Å; I563-A567 PolarHBondContact O-N 2.99Å; A567-G571 VanDerWaalsContact O-CA 3.29Å; A567-G571 WeakPolarHBondContact O-CA 3.48Å; A567-G571 PolarHBondContact O-N 2.85Å; A567-M572 WeakPolarHBondContact CB-O 3.45Å; A567-A577 HydrophobicContact CB-CB 3.92Å
568	K	89.7	Confident	88.9	Confident	151 Å²	151	58.5 Å²	58.5	66%	0.657	33%	0.326	S	S	*	.	H	α-helix	trans	-67.4	-42.1	177.6	-179.5	-175.4	169.3	-162.6	0	112.9	A564 E565 M566	A564-K568 VanDerWaalsContact O-CB 3.29Å; A564-K568 WeakPolarHBondContact O-CB 3.28Å; A564-K568 PolarHBondContact O-N 3.06Å; E565-K568 PolarHBondContact O-N 3.22Å; E565-K568 IonicContact OE1-NZ 2.83Å; E565-K568 PolarHBondContact OE1-NZ 3.24Å; E565-K568 VanDerWaalsContact OE1-NZ 3.14Å; E565-K568 IonicContact OE2-NZ 3.23Å; M566-K568 VanDerWaalsContact C-N 3.3Å; M566-K568 PolarHBondContact O-N 2.93Å
569	I	88.5	Confident	89.5	Confident	103 Å²	103	60.7 Å²	60.7	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-73.2	-43.3	-179.8	-68	174.1	0	0	0	111.3	E565 M566 F588	E565-I569 WeakPolarHBondContact O-CG1 3.38Å; E565-I569 PolarHBondContact O-N 3.12Å; M566-I569 PolarHBondContact O-N 3.43Å; I569-F588 HydrophobicContact CD1-CE1 3.98Å; I569-F588 HydrophobicContact CD1-CZ 3.77Å
570	T	88.2	Confident	89.7	Confident	14 Å²	14	55.9 Å²	55.9	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-87.9	-20.9	-172.8	61.7	0	0	0	0	113.6	M566 M572 F595 F609	M566-T570 HydrophobicContact CE-CG2 3.63Å; M566-T570 HydrophobicContact CG-CG2 4.32Å; M566-T570 WeakPolarHBondContact O-CB 3.49Å; M566-T570 WeakPolarHBondContact O-CG2 3.27Å; M566-T570 PolarHBondContact O-N 3.35Å; M566-T570 PolarHBondContact O-OG1 3.39Å; M566-T570 HydrophobicContact SD-CG2 3.68Å; T570-M572 HydrophobicContact CG2-CE 3.86Å; T570-M572 PolarHBondContact O-N 3.26Å; T570-M572 WeakPolarHBondContact OG1-CB 3.49Å; T570-M572 VanDerWaalsContact OG1-CE 3.26Å; T570-M572 WeakPolarHBondContact OG1-CE 3.31Å; T570-M572 PolarHBondContact OG1-N 2.75Å; T570-F595 HydrophobicContact CG2-CB 4.4Å; T570-F595 HydrophobicContact CG2-CD1 3.49Å; T570-F595 VanDerWaalsContact CG2-CD1 3.49Å; T570-F595 HydrophobicContact CG2-CD2 4Å; T570-F595 HydrophobicContact CG2-CE1 3.64Å; T570-F595 HydrophobicContact CG2-CE2 4.13Å; T570-F595 HydrophobicContact CG2-CG 3.68Å; T570-F595 HydrophobicContact CG2-CZ 3.96Å; T570-F609 WeakPolarHBondContact O-CE1 3.44Å
571	G	87.7	Confident	90.1	Very high	42 Å²	42	50 Å²	50	43%	0.433	28%	0.279	S	S	.	.			trans	74.8	4.2	-171.1	0	0	0	0	0	113.9	A567	A567-G571 VanDerWaalsContact O-CA 3.29Å; A567-G571 WeakPolarHBondContact O-CA 3.48Å; A567-G571 PolarHBondContact O-N 2.85Å
572	M	89.9	Confident	90.3	Very high	11 Å²	11	52 Å²	52	5%	0.054	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-71.4	153.7	177.5	-68.7	-171.1	-71.3	0	0	111.8	M566 A567 T570 W576 C580 F595 A608 F609	M566-M572 HydrophobicContact CE-CE 4.12Å; A567-M572 WeakPolarHBondContact CB-O 3.45Å; T570-M572 HydrophobicContact CG2-CE 3.86Å; T570-M572 PolarHBondContact O-N 3.26Å; T570-M572 WeakPolarHBondContact OG1-CB 3.49Å; T570-M572 VanDerWaalsContact OG1-CE 3.26Å; T570-M572 WeakPolarHBondContact OG1-CE 3.31Å; T570-M572 PolarHBondContact OG1-N 2.75Å; M572-W576 HydrophobicContact CB-CB 4.13Å; M572-W576 HydrophobicContact SD-CB 4.11Å; M572-C580 HydrophobicContact CE-CB 3.95Å; M572-F595 HydrophobicContact CE-CD2 3.58Å; M572-F595 HydrophobicContact CE-CE2 3.85Å; M572-F595 HydrophobicContact CE-CG 4.38Å; M572-F595 HydrophobicContact CG-CE2 3.89Å; M572-F595 HydrophobicContact SD-CD2 3.83Å; M572-F595 HydrophobicContact SD-CE2 3.7Å; M572-A608 WeakPolarHBondContact CA-O 3.4Å; M572-F609 HydrophobicContact CG-CD1 4.03Å; M572-F609 HydrophobicContact CG-CE1 3.53Å; M572-F609 HydrophobicContact CG-CZ 4.03Å
573	K	93.1	Very high	90.5	Very high	62 Å²	62	56.5 Å²	56.5	27%	0.27	31%	0.308	S	S	.	.			trans	-58.1	147.4	166.4	-71.9	170.9	-175.6	148.4	0	110.1	T575 W576 A577 D607 A608 F609 N610	K573-T575 PolarHBondContact O-N 2.74Å; K573-T575 VanDerWaalsContact O-N 3.07Å; K573-W576 PolarHBondContact O-N 2.99Å; K573-A577 PolarHBondContact O-N 3.48Å; K573-D607 PolarHBondContact NZ-O 3.01Å; K573-A608 PolarHBondContact N-O 2.99Å; K573-F609 WeakPolarHBondContact CE-O 3.43Å; K573-F609 PolarHBondContact NZ-O 3.47Å; K573-N610 WeakPolarHBondContact CE-OD1 3.41Å; K573-N610 WeakPolarHBondContact CG-OD1 3.37Å
574	P	90.6	Very high	90.4	Very high	83 Å²	83	55.9 Å²	55.9	54%	0.539	31%	0.305	S	S	.	.	H	α-helix	trans	-53.4	-33.9	-179.2	-28.3	34.9	0	0	0	114.4	I563 A577 A578	I563-P574 HydrophobicContact CG2-CB 4.14Å; I563-P574 WeakPolarHBondContact CG2-O 3.49Å; P574-A577 PolarHBondContact O-N 2.83Å; P574-A578 WeakPolarHBondContact O-CB 3.47Å; P574-A578 PolarHBondContact O-N 3.44Å
575	T	91.8	Very high	90.4	Very high	102 Å²	102	59.3 Å²	59.3	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-65	-38	176.8	50.2	0	0	0	0	112.9	K573 K579	K573-T575 PolarHBondContact O-N 2.74Å; K573-T575 VanDerWaalsContact O-N 3.07Å; T575-K579 PolarHBondContact O-N 3.12Å; T575-K579 VanDerWaalsContact O-N 3.12Å
576	W	92.3	Very high	90.3	Very high	67 Å²	67	57.2 Å²	57.2	25%	0.254	30%	0.303	S	S	.	.	H	α-helix	trans	-78.8	-35.6	177	-78.1	93.4	0	0	0	112.2	M572 K573 A578 K579 C580 P605 A608	M572-W576 HydrophobicContact CB-CB 4.13Å; M572-W576 HydrophobicContact SD-CB 4.11Å; K573-W576 PolarHBondContact O-N 2.99Å; W576-A578 VanDerWaalsContact C-N 3.33Å; W576-K579 HydrophobicContact CE3-CD 4.46Å; W576-K579 HydrophobicContact CZ3-CD 4.47Å; W576-K579 PolarHBondContact O-N 2.92Å; W576-C580 WeakPolarHBondContact O-CB 3.49Å; W576-C580 PolarHBondContact O-N 3.2Å; W576-P605 HydrophobicContact CH2-CB 4.32Å; W576-P605 HydrophobicContact CH2-CG 3.84Å; W576-P605 HydrophobicContact CZ2-CG 4.49Å; W576-P605 HydrophobicContact CZ3-CG 4.48Å; W576-A608 HydrophobicContact CB-CB 4.29Å; W576-A608 VanDerWaalsContact CD1-CA 3.49Å; W576-A608 HydrophobicContact CD2-CB 3.58Å; W576-A608 HydrophobicContact CE3-CB 4.01Å; W576-A608 HydrophobicContact CG-CB 3.72Å; W576-A608 HydrophobicContact CZ2-CB 4.35Å
577	A	91.6	Very high	90	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-42.9	170.6	0	0	0	0	0	111.5	I563 M566 A567 K573 P574 C580 L581	I563-A577 HydrophobicContact CG2-CB 4.33Å; M566-A577 HydrophobicContact CB-CB 4.12Å; M566-A577 HydrophobicContact CG-CB 4Å; A567-A577 HydrophobicContact CB-CB 3.92Å; K573-A577 PolarHBondContact O-N 3.48Å; P574-A577 PolarHBondContact O-N 2.83Å; A577-C580 PolarHBondContact O-N 2.93Å; A577-L581 WeakPolarHBondContact O-CG 3.46Å; A577-L581 PolarHBondContact O-N 3.03Å
578	A	91.2	Very high	89.9	Confident	19 Å²	19	63 Å²	63	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-47.7	173.8	0	0	0	0	0	112	I563 P574 W576 C580 L581 E582	I563-A578 HydrophobicContact CD1-CB 3.78Å; I563-A578 HydrophobicContact CG1-CB 3.9Å; I563-A578 HydrophobicContact CG2-CB 4.45Å; P574-A578 WeakPolarHBondContact O-CB 3.47Å; P574-A578 PolarHBondContact O-N 3.44Å; W576-A578 VanDerWaalsContact C-N 3.33Å; A578-C580 PolarHBondContact O-N 3.28Å; A578-L581 PolarHBondContact O-N 2.93Å; A578-E582 WeakPolarHBondContact O-CG 3.35Å; A578-E582 PolarHBondContact O-N 2.73Å
579	K	91	Very high	89.7	Confident	101 Å²	101	63 Å²	63	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-43.8	176.3	-174.3	176	179.9	178	0	112.5	T575 W576 L581 E582 D583	T575-K579 PolarHBondContact O-N 3.12Å; T575-K579 VanDerWaalsContact O-N 3.12Å; W576-K579 HydrophobicContact CE3-CD 4.46Å; W576-K579 HydrophobicContact CZ3-CD 4.47Å; W576-K579 PolarHBondContact O-N 2.92Å; K579-L581 VanDerWaalsContact C-N 3.32Å; K579-L581 PolarHBondContact O-N 3.32Å; K579-E582 PolarHBondContact O-N 3.28Å; K579-D583 WeakPolarHBondContact O-CB 3.21Å; K579-D583 VanDerWaalsContact O-CG 3.32Å; K579-D583 PolarHBondContact O-N 3.15Å
580	C	90.1	Very high	89.6	Confident	16 Å²	16	61.2 Å²	61.2	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-41.5	177.1	-174.6	0	0	0	0	111.6	M566 M572 W576 A577 A578 N584	M566-C580 HydrophobicContact CE-CB 4.21Å; M566-C580 WeakPolarHBondContact CE-SG 3.33Å; M572-C580 HydrophobicContact CE-CB 3.95Å; W576-C580 WeakPolarHBondContact O-CB 3.49Å; W576-C580 PolarHBondContact O-N 3.2Å; A577-C580 PolarHBondContact O-N 2.93Å; A578-C580 PolarHBondContact O-N 3.28Å; C580-N584 WeakPolarHBondContact O-CB 3.44Å; C580-N584 PolarHBondContact O-N 3.38Å; C580-N584 PolarHBondContact O-ND2 3.29Å
581	L	93.2	Very high	89.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-42.2	174.4	-70.9	165.1	0	0	0	111.7	M562 I563 M566 A577 A578 K579 N584 N585 W586 F588 A591	M562-L581 HydrophobicContact CB-CD1 3.86Å; I563-L581 HydrophobicContact CB-CD1 4.49Å; I563-L581 HydrophobicContact CG1-CD1 3.93Å; M566-L581 HydrophobicContact CB-CD1 3.98Å; M566-L581 HydrophobicContact CB-CG 4.33Å; M566-L581 HydrophobicContact CG-CD1 4.35Å; M566-L581 HydrophobicContact CG-CD2 4.49Å; M566-L581 HydrophobicContact CG-CG 4.2Å; A577-L581 WeakPolarHBondContact O-CG 3.46Å; A577-L581 PolarHBondContact O-N 3.03Å; A578-L581 PolarHBondContact O-N 2.93Å; K579-L581 VanDerWaalsContact C-N 3.32Å; K579-L581 PolarHBondContact O-N 3.32Å; L581-N584 CarbonylContact O-C 3.51Å; L581-N584 PolarHBondContact O-N 3.27Å; L581-N585 PolarHBondContact O-N 3.11Å; L581-W586 HydrophobicContact CB-CD2 4.27Å; L581-W586 HydrophobicContact CB-CE3 3.9Å; L581-W586 HydrophobicContact CB-CZ3 4.05Å; L581-W586 HydrophobicContact CD1-CE3 4.3Å; L581-W586 HydrophobicContact CD1-CZ3 4.02Å; L581-W586 WeakPolarHBondContact O-CA 3.36Å; L581-W586 PolarHBondContact O-N 3.49Å; L581-F588 HydrophobicContact CD2-CD2 4.06Å; L581-A591 HydrophobicContact CD2-CB 3.91Å
582	E	90.4	Very high	89.7	Confident	112 Å²	112	59.8 Å²	59.8	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-47.9	177	-77.2	179.8	172.9	0	0	112.4	A578 K579 N584 N585 W586	A578-E582 WeakPolarHBondContact O-CG 3.35Å; A578-E582 PolarHBondContact O-N 2.73Å; K579-E582 PolarHBondContact O-N 3.28Å; E582-N584 PolarHBondContact O-N 3.25Å; E582-N584 VanDerWaalsContact O-N 3.13Å; E582-N585 PolarHBondContact O-N 3.47Å; E582-N585 VanDerWaalsContact O-N 3.1Å; E582-W586 HydrophobicContact CG-CZ2 3.52Å
583	D	89.8	Confident	89.7	Confident	114 Å²	114	63.8 Å²	63.8	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-63.7	-18.7	178.5	-69.9	-19.8	0	0	0	112.3	K579	K579-D583 WeakPolarHBondContact O-CB 3.21Å; K579-D583 VanDerWaalsContact O-CG 3.32Å; K579-D583 PolarHBondContact O-N 3.15Å
584	N	90.7	Very high	89.5	Confident	16 Å²	16	63.6 Å²	63.6	9%	0.086	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	23.9	178.5	-70.1	-77.8	0	0	0	113.2	C580 L581 E582 W586 Q587 L590 A591 N594	C580-N584 WeakPolarHBondContact O-CB 3.44Å; C580-N584 PolarHBondContact O-N 3.38Å; C580-N584 PolarHBondContact O-ND2 3.29Å; L581-N584 CarbonylContact O-C 3.51Å; L581-N584 PolarHBondContact O-N 3.27Å; E582-N584 PolarHBondContact O-N 3.25Å; E582-N584 VanDerWaalsContact O-N 3.13Å; N584-W586 PolarHBondContact O-N 3.35Å; N584-W586 VanDerWaalsContact O-N 3.13Å; N584-Q587 WeakPolarHBondContact O-CB 3.47Å; N584-Q587 PolarHBondContact O-N 3.33Å; N584-L590 HydrophobicContact CB-CD2 4.49Å; N584-A591 HydrophobicContact CB-CB 3.78Å; N584-N594 PolarHBondContact OD1-ND2 3.35Å
585	N	89.2	Confident	89.6	Confident	131 Å²	131	60.2 Å²	60.2	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	34.3	177.3	-62.1	-56.5	0	0	0	113.9	L581 E582 Q587	L581-N585 PolarHBondContact O-N 3.11Å; E582-N585 PolarHBondContact O-N 3.47Å; E582-N585 VanDerWaalsContact O-N 3.1Å; N585-Q587 PolarHBondContact O-N 3.15Å; N585-Q587 VanDerWaalsContact O-N 3.15Å
586	W	86.7	Confident	89.4	Confident	40 Å²	40	58 Å²	58	15%	0.152	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	23.2	-178.2	-61.2	83.4	0	0	0	114.3	K559 M562 I563 L581 E582 N584 F588	K559-W586 HydrophobicContact CB-CE3 4.13Å; K559-W586 HydrophobicContact CB-CH2 3.65Å; K559-W586 HydrophobicContact CB-CZ2 4.45Å; K559-W586 HydrophobicContact CB-CZ3 3.45Å; K559-W586 VanDerWaalsContact CB-CZ3 3.45Å; K559-W586 HydrophobicContact CD-CD2 4.16Å; K559-W586 HydrophobicContact CD-CE3 4.21Å; K559-W586 HydrophobicContact CD-CH2 3.67Å; K559-W586 HydrophobicContact CD-CZ2 3.6Å; K559-W586 HydrophobicContact CD-CZ3 3.99Å; K559-W586 HydrophobicContact CG-CD2 4.09Å; K559-W586 HydrophobicContact CG-CE3 3.72Å; K559-W586 HydrophobicContact CG-CH2 3.75Å; K559-W586 HydrophobicContact CG-CZ2 4.12Å; K559-W586 HydrophobicContact CG-CZ3 3.54Å; M562-W586 HydrophobicContact SD-CE3 4.16Å; I563-W586 HydrophobicContact CD1-CH2 4Å; I563-W586 HydrophobicContact CD1-CZ3 4.29Å; I563-W586 HydrophobicContact CG1-CH2 4.2Å; I563-W586 HydrophobicContact CG1-CZ3 4.08Å; L581-W586 HydrophobicContact CB-CD2 4.27Å; L581-W586 HydrophobicContact CB-CE3 3.9Å; L581-W586 HydrophobicContact CB-CZ3 4.05Å; L581-W586 HydrophobicContact CD1-CE3 4.3Å; L581-W586 HydrophobicContact CD1-CZ3 4.02Å; L581-W586 WeakPolarHBondContact O-CA 3.36Å; L581-W586 PolarHBondContact O-N 3.49Å; E582-W586 HydrophobicContact CG-CZ2 3.52Å; N584-W586 PolarHBondContact O-N 3.35Å; N584-W586 VanDerWaalsContact O-N 3.13Å; W586-F588 PolarHBondContact O-N 2.92Å
587	Q	85.1	Confident	89.2	Confident	83 Å²	83	59.6 Å²	59.6	39%	0.388	30%	0.304	S	S	.	.			trans	-86.4	100.8	170.3	-67.1	-168.6	-13	0	0	109.8	N584 N585 Q589 L590 A591	N584-Q587 WeakPolarHBondContact O-CB 3.47Å; N584-Q587 PolarHBondContact O-N 3.33Å; N585-Q587 PolarHBondContact O-N 3.15Å; N585-Q587 VanDerWaalsContact O-N 3.15Å; Q587-Q589 PolarHBondContact O-N 3.03Å; Q587-L590 HydrophobicContact CB-CB 3.82Å; Q587-L590 HydrophobicContact CB-CD2 4.38Å; Q587-L590 PolarHBondContact O-N 2.87Å; Q587-A591 WeakPolarHBondContact O-CB 3.22Å; Q587-A591 PolarHBondContact O-N 2.87Å
588	F	86.7	Confident	89	Confident	55 Å²	55	63.7 Å²	63.7	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-55.2	-49.3	-172.2	-169.1	-94.5	0	0	0	113.6	M562 E565 M566 I569 L581 W586 L590 A591 C592	M562-F588 HydrophobicContact CB-CD2 4.35Å; E565-F588 HydrophobicContact CB-CE2 3.98Å; E565-F588 HydrophobicContact CB-CZ 3.9Å; M566-F588 HydrophobicContact CB-CE2 3.97Å; I569-F588 HydrophobicContact CD1-CE1 3.98Å; I569-F588 HydrophobicContact CD1-CZ 3.77Å; L581-F588 HydrophobicContact CD2-CD2 4.06Å; W586-F588 PolarHBondContact O-N 2.92Å; F588-L590 PolarHBondContact O-N 3.47Å; F588-A591 PolarHBondContact O-N 3.46Å; F588-C592 PolarHBondContact O-N 2.89Å; F588-C592 PolarHBondContact O-SG 3.33Å; F588-C592 VanDerWaalsContact O-SG 3.42Å
589	Q	85.2	Confident	88.9	Confident	151 Å²	151	68.9 Å²	68.9	71%	0.706	34%	0.341	S	S	*	.	H	α-helix	trans	-59.9	-47.8	177.8	-120.5	93.1	6.3	0	0	112.1	Q587 A591 C592 D593	Q587-Q589 PolarHBondContact O-N 3.03Å; Q589-A591 VanDerWaalsContact C-N 3.28Å; Q589-A591 PolarHBondContact O-N 3.18Å; Q589-C592 WeakPolarHBondContact O-CB 3.29Å; Q589-C592 PolarHBondContact O-N 3.48Å; Q589-C592 VanDerWaalsContact O-N 3.15Å; Q589-D593 PolarHBondContact O-N 3.13Å
590	L	86.7	Confident	88.5	Confident	67 Å²	67	69.3 Å²	69.3	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-39.8	-180	-176.4	67.8	0	0	0	111.2	N584 Q587 F588 D593 N594	N584-L590 HydrophobicContact CB-CD2 4.49Å; Q587-L590 HydrophobicContact CB-CB 3.82Å; Q587-L590 HydrophobicContact CB-CD2 4.38Å; Q587-L590 PolarHBondContact O-N 2.87Å; F588-L590 PolarHBondContact O-N 3.47Å; L590-D593 PolarHBondContact O-N 2.95Å; L590-N594 WeakPolarHBondContact O-CB 3.35Å; L590-N594 PolarHBondContact O-N 3.03Å
591	A	90	Very high	88.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-41.8	175.8	0	0	0	0	0	112	M566 L581 N584 Q587 F588 Q589 F595	M566-A591 HydrophobicContact CE-CB 3.94Å; L581-A591 HydrophobicContact CD2-CB 3.91Å; N584-A591 HydrophobicContact CB-CB 3.78Å; Q587-A591 WeakPolarHBondContact O-CB 3.22Å; Q587-A591 PolarHBondContact O-N 2.87Å; F588-A591 PolarHBondContact O-N 3.46Å; Q589-A591 VanDerWaalsContact C-N 3.28Å; Q589-A591 PolarHBondContact O-N 3.18Å; A591-F595 VanDerWaalsContact O-CB 3.24Å; A591-F595 WeakPolarHBondContact O-CB 3.43Å; A591-F595 PolarHBondContact O-N 3.45Å
592	C	89.2	Confident	87.9	Confident	25 Å²	25	75.3 Å²	75.3	17%	0.169	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-46.7	174.4	-70.8	0	0	0	0	111.9	F588 Q589 F595 V596	F588-C592 PolarHBondContact O-N 2.89Å; F588-C592 PolarHBondContact O-SG 3.33Å; F588-C592 VanDerWaalsContact O-SG 3.42Å; Q589-C592 WeakPolarHBondContact O-CB 3.29Å; Q589-C592 PolarHBondContact O-N 3.48Å; Q589-C592 VanDerWaalsContact O-N 3.15Å; C592-F595 WeakPolarHBondContact O-CB 3.44Å; C592-F595 PolarHBondContact O-N 3.48Å; C592-V596 WeakPolarHBondContact O-CG2 3.44Å; C592-V596 PolarHBondContact O-N 3.2Å
593	D	88.1	Confident	87.9	Confident	95 Å²	95	74.7 Å²	74.7	51%	0.508	40%	0.404	S	S	.	.	H	α-helix	trans	-64.4	-44.9	-179.4	-66.6	-23.1	0	0	0	111.4	Q589 L590 F595 V596 N597	Q589-D593 PolarHBondContact O-N 3.13Å; L590-D593 PolarHBondContact O-N 2.95Å; D593-F595 PolarHBondContact O-N 2.68Å; D593-V596 PolarHBondContact O-N 3.38Å; D593-N597 PolarHBondContact O-N 3.07Å; D593-N597 VanDerWaalsContact O-N 3.11Å; D593-N597 PolarHBondContact O-ND2 3.05Å
594	N	88.9	Confident	87.8	Confident	59 Å²	59	70.7 Å²	70.7	32%	0.316	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-35.1	177.2	-78.5	-16.6	0	0	0	112.5	N584 L590 N597 L598	N584-N594 PolarHBondContact OD1-ND2 3.35Å; L590-N594 WeakPolarHBondContact O-CB 3.35Å; L590-N594 PolarHBondContact O-N 3.03Å; N594-N597 PolarHBondContact O-N 3.16Å; N594-L598 WeakPolarHBondContact O-CB 3.38Å; N594-L598 VanDerWaalsContact O-CG 3.3Å; N594-L598 WeakPolarHBondContact O-CG 3.35Å; N594-L598 PolarHBondContact O-N 2.83Å
595	F	92.6	Very high	87.6	Confident	11 Å²	11	72.3 Å²	72.3	5%	0.048	39%	0.394	C	S	.	.	H	α-helix	trans	-59.8	-46.9	171.8	167.3	-97.7	0	0	0	111.7	M566 T570 M572 A591 C592 D593 N597 L598 R599 I604 F609	M566-F595 HydrophobicContact CE-CB 4.02Å; T570-F595 HydrophobicContact CG2-CB 4.4Å; T570-F595 HydrophobicContact CG2-CD1 3.49Å; T570-F595 VanDerWaalsContact CG2-CD1 3.49Å; T570-F595 HydrophobicContact CG2-CD2 4Å; T570-F595 HydrophobicContact CG2-CE1 3.64Å; T570-F595 HydrophobicContact CG2-CE2 4.13Å; T570-F595 HydrophobicContact CG2-CG 3.68Å; T570-F595 HydrophobicContact CG2-CZ 3.96Å; M572-F595 HydrophobicContact CE-CD2 3.58Å; M572-F595 HydrophobicContact CE-CE2 3.85Å; M572-F595 HydrophobicContact CE-CG 4.38Å; M572-F595 HydrophobicContact CG-CE2 3.89Å; M572-F595 HydrophobicContact SD-CD2 3.83Å; M572-F595 HydrophobicContact SD-CE2 3.7Å; A591-F595 VanDerWaalsContact O-CB 3.24Å; A591-F595 WeakPolarHBondContact O-CB 3.43Å; A591-F595 PolarHBondContact O-N 3.45Å; C592-F595 WeakPolarHBondContact O-CB 3.44Å; C592-F595 PolarHBondContact O-N 3.48Å; D593-F595 PolarHBondContact O-N 2.68Å; F595-N597 VanDerWaalsContact C-N 3.33Å; F595-N597 PolarHBondContact O-N 2.85Å; F595-L598 PolarHBondContact O-N 3.4Å; F595-R599 HydrophobicContact CZ-CB 4.46Å; F595-R599 VanDerWaalsContact O-CB 3.31Å; F595-R599 WeakPolarHBondContact O-CB 3.29Å; F595-R599 PolarHBondContact O-N 3.2Å; F595-I604 HydrophobicContact CD2-CD1 3.68Å; F595-I604 HydrophobicContact CE2-CD1 3.59Å; F595-F609 HydrophobicContact CE2-CE1 4.05Å; F595-F609 AromaticContact CE2-CZ 3.88Å; F595-F609 HydrophobicContact CE2-CZ 3.88Å; F595-F609 HydrophobicContact CZ-CE1 4.03Å; F595-F609 HydrophobicContact CZ-CZ 4.09Å
596	V	89	Confident	87.4	Confident	56 Å²	56	71.8 Å²	71.8	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-59.4	-46.5	178.5	173	0	0	0	0	110.4	C592 D593 L598 R599 D600	C592-V596 WeakPolarHBondContact O-CG2 3.44Å; C592-V596 PolarHBondContact O-N 3.2Å; D593-V596 PolarHBondContact O-N 3.38Å; V596-L598 PolarHBondContact O-N 2.98Å; V596-R599 PolarHBondContact O-N 2.97Å; V596-D600 WeakPolarHBondContact O-CB 3.45Å; V596-D600 PolarHBondContact O-N 3.2Å
597	N	87.5	Confident	87.6	Confident	100 Å²	100	74.4 Å²	74.4	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-41.7	177.9	-68.8	-33.2	0	0	0	112.8	D593 N594 F595 S601	D593-N597 PolarHBondContact O-N 3.07Å; D593-N597 VanDerWaalsContact O-N 3.11Å; D593-N597 PolarHBondContact O-ND2 3.05Å; N594-N597 PolarHBondContact O-N 3.16Å; F595-N597 VanDerWaalsContact C-N 3.33Å; F595-N597 PolarHBondContact O-N 2.85Å; N597-S601 WeakPolarHBondContact O-CB 3.37Å; N597-S601 PolarHBondContact O-N 3.42Å; N597-S601 VanDerWaalsContact O-N 3.16Å; N597-S601 PolarHBondContact O-OG 2.96Å
598	L	88.7	Confident	87.7	Confident	87 Å²	87	70.4 Å²	70.4	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-71.2	-35.8	178.5	-72.9	172.7	0	0	0	112.8	N594 F595 V596 S601 G602 V603 I604	N594-L598 WeakPolarHBondContact O-CB 3.38Å; N594-L598 VanDerWaalsContact O-CG 3.3Å; N594-L598 WeakPolarHBondContact O-CG 3.35Å; N594-L598 PolarHBondContact O-N 2.83Å; F595-L598 PolarHBondContact O-N 3.4Å; V596-L598 PolarHBondContact O-N 2.98Å; L598-S601 VanDerWaalsContact O-OG 3.13Å; L598-S601 PolarHBondContact O-OG 2.71Å; L598-S601 WeakPolarHBondContact CA-OG 3.2Å; L598-G602 PolarHBondContact O-N 2.96Å; L598-V603 HydrophobicContact CD2-CG2 4.45Å; L598-V603 PolarHBondContact O-N 3.23Å; L598-I604 HydrophobicContact CB-CD1 4Å; L598-I604 HydrophobicContact CB-CG1 3.85Å
599	R	88.1	Confident	87.8	Confident	127 Å²	127	70.6 Å²	70.6	48%	0.479	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-46.2	175.9	-174.3	-165.7	66.9	-172.3	-4.9	110.5	F595 V596 S601 G602 I604	F595-R599 HydrophobicContact CZ-CB 4.46Å; F595-R599 VanDerWaalsContact O-CB 3.31Å; F595-R599 WeakPolarHBondContact O-CB 3.29Å; F595-R599 PolarHBondContact O-N 3.2Å; V596-R599 PolarHBondContact O-N 2.97Å; R599-S601 PolarHBondContact O-N 3.31Å; R599-G602 PolarHBondContact O-N 2.85Å; R599-I604 HydrophobicContact CB-CD1 3.81Å
600	D	82.9	Confident	87.2	Confident	111 Å²	111	72.7 Å²	72.7	59%	0.594	41%	0.412	S	S	*	.	H	α-helix	trans	-71.2	-23.4	-176.7	-65	-3.4	0	0	0	111.9	V596	V596-D600 WeakPolarHBondContact O-CB 3.45Å; V596-D600 PolarHBondContact O-N 3.2Å
601	S	86	Confident	87.3	Confident	76 Å²	76	73 Å²	73	53%	0.531	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.2	170.7	48.9	0	0	0	0	114.3	N597 L598 R599 V603	N597-S601 WeakPolarHBondContact O-CB 3.37Å; N597-S601 PolarHBondContact O-N 3.42Å; N597-S601 VanDerWaalsContact O-N 3.16Å; N597-S601 PolarHBondContact O-OG 2.96Å; L598-S601 VanDerWaalsContact O-OG 3.13Å; L598-S601 PolarHBondContact O-OG 2.71Å; L598-S601 WeakPolarHBondContact CA-OG 3.2Å; R599-S601 PolarHBondContact O-N 3.31Å; S601-V603 PolarHBondContact O-N 2.99Å; S601-V603 VanDerWaalsContact OG-CG2 3.22Å; S601-V603 WeakPolarHBondContact OG-CG2 3.32Å; S601-V603 VanDerWaalsContact C-N 3.28Å
602	G	84.6	Confident	87.1	Confident	66 Å²	66	76.8 Å²	76.8	68%	0.68	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	19.1	173.5	0	0	0	0	0	115	L598 R599	L598-G602 PolarHBondContact O-N 2.96Å; R599-G602 PolarHBondContact O-N 2.85Å
603	V	89.3	Confident	87	Confident	98 Å²	98	79.7 Å²	79.7	59%	0.594	45%	0.452	S	S	*	.			trans	-91.3	-10	-175.2	-137.4	0	0	0	0	112.9	L598 S601 P605	L598-V603 HydrophobicContact CD2-CG2 4.45Å; L598-V603 PolarHBondContact O-N 3.23Å; S601-V603 PolarHBondContact O-N 2.99Å; S601-V603 VanDerWaalsContact OG-CG2 3.22Å; S601-V603 WeakPolarHBondContact OG-CG2 3.32Å; S601-V603 VanDerWaalsContact C-N 3.28Å; V603-P605 WeakPolarHBondContact O-CD 3.43Å
604	I	88.1	Confident	86.9	Confident	31 Å²	31	78.8 Å²	78.8	16%	0.159	45%	0.449	C	S	.	.	S	Bend	trans	-75.5	121.9	179.4	-54.5	-178.4	0	0	0	109.1	F595 L598 R599 A608 F609	F595-I604 HydrophobicContact CD2-CD1 3.68Å; F595-I604 HydrophobicContact CE2-CD1 3.59Å; L598-I604 HydrophobicContact CB-CD1 4Å; L598-I604 HydrophobicContact CB-CG1 3.85Å; R599-I604 HydrophobicContact CB-CD1 3.81Å; I604-A608 HydrophobicContact CG2-CB 3.72Å; I604-F609 HydrophobicContact CG2-CZ 3.94Å; I604-F609 HydrophobicContact CG2-CE2 3.57Å; I604-F609 HydrophobicContact CD1-CZ 4.43Å; I604-F609 HydrophobicContact CB-CE2 4.27Å
605	P	87.4	Confident	86.8	Confident	50 Å²	50	80 Å²	80	33%	0.325	46%	0.457	S	S	.	.			trans	-58.8	140.1	178.9	-28.4	39.2	0	0	0	112.8	W576 V603 D607 A608	W576-P605 HydrophobicContact CH2-CB 4.32Å; W576-P605 HydrophobicContact CH2-CG 3.84Å; W576-P605 HydrophobicContact CZ2-CG 4.49Å; W576-P605 HydrophobicContact CZ3-CG 4.48Å; V603-P605 WeakPolarHBondContact O-CD 3.43Å; P605-D607 WeakPolarHBondContact CB-OD1 3.46Å; P605-D607 PolarHBondContact O-N 3.21Å; P605-D607 VanDerWaalsContact O-N 3.16Å; P605-A608 WeakPolarHBondContact O-CB 3.38Å; P605-A608 PolarHBondContact O-N 3.26Å
606	P	85.5	Confident	86.4	Confident	120 Å²	120	84.6 Å²	84.6	78%	0.779	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-58.4	-28.4	-179.7	-25.6	33.9	0	0	0	114.3	A608 F609	P606-A608 PolarHBondContact O-N 3.44Å; P606-F609 PolarHBondContact O-N 2.91Å
607	D	89.2	Confident	86.3	Confident	94 Å²	94	86.6 Å²	86.6	50%	0.503	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-70.5	-9.9	177.9	62.3	-48.6	0	0	0	113.8	K573 P605 F609	K573-D607 PolarHBondContact NZ-O 3.01Å; P605-D607 WeakPolarHBondContact CB-OD1 3.46Å; P605-D607 PolarHBondContact O-N 3.21Å; P605-D607 VanDerWaalsContact O-N 3.16Å; D607-F609 PolarHBondContact O-N 3.15Å
608	A	88	Confident	86.2	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-68.3	-23.2	173.5	0	0	0	0	0	113.8	M572 K573 W576 I604 P605 P606	M572-A608 WeakPolarHBondContact CA-O 3.4Å; K573-A608 PolarHBondContact N-O 2.99Å; W576-A608 HydrophobicContact CB-CB 4.29Å; W576-A608 VanDerWaalsContact CD1-CA 3.49Å; W576-A608 HydrophobicContact CD2-CB 3.58Å; W576-A608 HydrophobicContact CE3-CB 4.01Å; W576-A608 HydrophobicContact CG-CB 3.72Å; W576-A608 HydrophobicContact CZ2-CB 4.35Å; I604-A608 HydrophobicContact CG2-CB 3.72Å; P605-A608 WeakPolarHBondContact O-CB 3.38Å; P605-A608 PolarHBondContact O-N 3.26Å; P606-A608 PolarHBondContact O-N 3.44Å
609	F	88.4	Confident	86	Confident	59 Å²	59	85.5 Å²	85.5	26%	0.259	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-105.6	163.5	179.3	-54.9	-83.3	0	0	0	110.6	T570 M572 K573 F595 I604 P606 D607	T570-F609 WeakPolarHBondContact O-CE1 3.44Å; M572-F609 HydrophobicContact CG-CD1 4.03Å; M572-F609 HydrophobicContact CG-CE1 3.53Å; M572-F609 HydrophobicContact CG-CZ 4.03Å; K573-F609 WeakPolarHBondContact CE-O 3.43Å; K573-F609 PolarHBondContact NZ-O 3.47Å; F595-F609 HydrophobicContact CE2-CE1 4.05Å; F595-F609 AromaticContact CE2-CZ 3.88Å; F595-F609 HydrophobicContact CE2-CZ 3.88Å; F595-F609 HydrophobicContact CZ-CE1 4.03Å; F595-F609 HydrophobicContact CZ-CZ 4.09Å; I604-F609 HydrophobicContact CG2-CZ 3.94Å; I604-F609 HydrophobicContact CG2-CE2 3.57Å; I604-F609 HydrophobicContact CD1-CZ 4.43Å; I604-F609 HydrophobicContact CB-CE2 4.27Å; P606-F609 PolarHBondContact O-N 2.91Å; D607-F609 PolarHBondContact O-N 3.15Å
610	N	74	Confident	85.8	Confident	194 Å²	194	81.7 Å²	81.7	100%	1.037	50%	0.496	S	S	*	.			trans	-79.3	0	173	-85.5	-18.7	0	0	0	112.2	K573	K573-N610 WeakPolarHBondContact CE-OD1 3.41Å; K573-N610 WeakPolarHBondContact CG-OD1 3.37Å

Retrieved 610 of 610 residues in 213.1 ms (Link to these results)

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