A0A077ZM88_TRITR Loading...

Deoxyribonuclease (DNase) II

AlphaFold DB , UniProt , Accession A0A077ZM88, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 570 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.2	Very low	25.6	Very low	247 Å²	247	101.1 Å²	101.1	100%	1.217	49%	0.485	S	S	*	.				0	134.5	0	-58.3	168.2	-168.7	0	0	107.7
2	R	22.5	Very low	25.8	Very low	246 Å²	246	96.5 Å²	96.5	93%	0.928	46%	0.464	S	S	*	.			trans	-94.6	145.3	-173.3	-73.7	179.4	175.1	150.9	-0.4	111.2
3	A	24.4	Very low	25.8	Very low	70 Å²	70	102.9 Å²	102.9	58%	0.579	49%	0.489	S	S	*	.			trans	-100.1	139.2	177.1	0	0	0	0	0	110.8
4	E	26.7	Very low	25.8	Very low	89 Å²	89	108.9 Å²	108.9	42%	0.416	51%	0.512	S	S	.	.			trans	-120.5	145.7	179.5	-65.7	-173.1	174.7	0	0	110.4	F6 S479	E4-F6 HydrophobicContact CB-CE2 4.28Å; E4-S479 PolarHBondContact O-OG 3.46Å
5	N	25.5	Very low	26.1	Very low	75 Å²	75	108.1 Å²	108.1	40%	0.401	52%	0.52	S	S	.	.			trans	-106	130.8	-167.2	-70.3	-3.5	0	0	0	113.1	S479 S480	N5-S479 PolarHBondContact OD1-OG 3.04Å; N5-S480 PolarHBondContact OD1-OG 3.3Å
6	F	25.9	Very low	26.2	Very low	39 Å²	39	107.9 Å²	107.9	17%	0.171	54%	0.541	C	S	.	.	B	Isolated β-bridge	trans	-121.8	-166.9	-174.5	-70.6	-111.9	0	0	0	112.2	E4 R258 I260	E4-F6 HydrophobicContact CB-CE2 4.28Å; F6-R258 HydrophobicContact CD1-CB 4.19Å; F6-R258 WeakPolarHBondContact CD1-O 3.43Å; F6-R258 HydrophobicContact CE1-CB 3.51Å; F6-R258 WeakPolarHBondContact CG-O 3.19Å; F6-R258 HydrophobicContact CZ-CB 3.77Å; F6-I260 HydrophobicContact CD1-CD1 4.19Å; F6-I260 HydrophobicContact CD1-CG1 4.02Å
7	T	24.2	Very low	26.3	Very low	15 Å²	15	106 Å²	106	9%	0.092	56%	0.556	C	S	.	*			trans	-172.2	179.4	179.2	17.2	0	0	0	0	108.9	V259 I260 K261 I262 T482	T7-V259 VanDerWaalsContact OG1-CG1 3.32Å; T7-V259 WeakPolarHBondContact OG1-CG1 3.38Å; T7-I260 WeakPolarHBondContact O-CB 3.27Å; T7-I260 WeakPolarHBondContact O-CD1 3.44Å; T7-I260 WeakPolarHBondContact O-CG1 3.49Å; T7-K261 WeakPolarHBondContact OG1-CA 3.33Å; T7-K261 PolarHBondContact OG1-N 2.7Å; T7-I262 HydrophobicContact CG2-CB 3.9Å; T7-I262 HydrophobicContact CG2-CG1 3.53Å; T7-T482 WeakPolarHBondContact CG2-O 3.4Å
8	V	29.6	Very low	26.2	Very low	23 Å²	23	106.6 Å²	106.6	14%	0.139	57%	0.57	C	S	.	*			trans	-149.6	144.8	172.6	-161.3	0	0	0	0	110.7	Y10 K261 I262 W497 V499	V8-Y10 HydrophobicContact CB-CE2 4.09Å; V8-Y10 HydrophobicContact CG1-CE2 4.03Å; V8-Y10 WeakPolarHBondContact CG1-OH 3.08Å; V8-K261 CarbonylContact C-O 3.57Å; V8-I262 VanDerWaalsContact O-CA 3.27Å; V8-I262 WeakPolarHBondContact O-CA 3.33Å; V8-I262 WeakPolarHBondContact O-CD1 3.48Å; V8-I262 VanDerWaalsContact O-CG1 3.24Å; V8-I262 WeakPolarHBondContact O-CG1 3.44Å; V8-W497 HydrophobicContact CG2-CH2 3.98Å; V8-W497 HydrophobicContact CG2-CZ3 3.91Å; V8-V499 HydrophobicContact CG1-CG1 4.25Å; V8-V499 HydrophobicContact CG2-CG1 4.15Å
9	R	22.7	Very low	26.2	Very low	146 Å²	146	110.2 Å²	110.2	55%	0.551	59%	0.588	S	S	*	*	B	Isolated β-bridge	trans	-103.7	131.3	-165.2	-157.9	-90.9	163	133.1	0.7	115.9	V11 K261 S263	R9-V11 VanDerWaalsContact CZ-CG2 3.49Å; R9-K261 WeakPolarHBondContact CA-O 3.49Å; R9-K261 WeakPolarHBondContact CB-O 3.29Å; R9-K261 VanDerWaalsContact CG-O 3.3Å; R9-K261 WeakPolarHBondContact CG-O 3.49Å; R9-K261 PolarHBondContact N-O 3.1Å; R9-S263 PolarHBondContact NE-OG 3.25Å
10	Y	29.6	Very low	26	Very low	68 Å²	68	116.3 Å²	116.3	27%	0.267	60%	0.603	S	S	.	*			trans	-139.1	157.8	175.9	-58.4	-70.4	0	0	0	115.2	V8 S263 F506	V8-Y10 HydrophobicContact CB-CE2 4.09Å; V8-Y10 HydrophobicContact CG1-CE2 4.03Å; V8-Y10 WeakPolarHBondContact CG1-OH 3.08Å; Y10-S263 CarbonylContact C-O 3.38Å; Y10-S263 PolarHBondContact N-O 2.63Å; Y10-S263 CarbonylContact O-C 3.53Å; Y10-S263 WeakPolarHBondContact O-CB 3.33Å; Y10-S263 PolarHBondContact O-OG 2.58Å; Y10-F506 VanDerWaalsContact OH-CD2 3.24Å; Y10-F506 WeakPolarHBondContact OH-CD2 3.41Å
11	V	24.7	Very low	25.9	Very low	94 Å²	94	119 Å²	119	57%	0.57	62%	0.617	S	S	*	*			trans	-130.7	146.7	174.9	177.1	0	0	0	0	108.5	R9	R9-V11 VanDerWaalsContact CZ-CG2 3.49Å
12	L	28.2	Very low	25.9	Very low	46 Å²	46	114 Å²	114	24%	0.241	60%	0.601	C	S	.	*			trans	-125.4	131.5	177.2	-93.4	160.3	0	0	0	109.1	A265 F547	L12-A265 HydrophobicContact CB-CB 3.81Å; L12-A265 HydrophobicContact CD1-CB 4.04Å; L12-F547 WeakPolarHBondContact CD1-O 3.29Å; L12-F547 HydrophobicContact CD2-CB 4.01Å; L12-F547 WeakPolarHBondContact CD2-O 3.45Å; L12-F547 HydrophobicContact CG-CB 4.46Å
13	F	25.4	Very low	25.9	Very low	180 Å²	180	105.5 Å²	105.5	79%	0.789	59%	0.589	S	S	*	*			trans	-82.3	159.4	178.3	-81.5	-99.9	0	0	0	111.7
14	K	25.1	Very low	26	Very low	187 Å²	187	112.8 Å²	112.8	81%	0.813	61%	0.609	S	S	*	*			trans	-106.4	144.4	162.1	-66.3	175.9	179.5	172.6	0	108.4
15	P	30.4	Very low	25.8	Very low	97 Å²	97	111.8 Å²	111.8	63%	0.63	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-66.1	144.4	157.5	31.1	-35.1	0	0	0	109.9	E545	P15-E545 WeakPolarHBondContact CG-OE1 3.34Å
16	A	28.6	Very low	25.8	Very low	104 Å²	104	115.5 Å²	115.5	86%	0.86	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-84	131	173.6	0	0	0	0	0	110.7
17	G	27.7	Very low	25.7	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-82	136.9	166.8	0	0	0	0	0	110.4
18	S	24.8	Very low	25.9	Very low	116 Å²	116	125.3 Å²	125.3	81%	0.811	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69.7	141	-176.9	62.4	0	0	0	0	113
19	L	25.5	Very low	25.6	Very low	176 Å²	176	131.7 Å²	131.7	92%	0.921	74%	0.74	S	S	*	*			trans	-144.8	159.1	156.7	-119.6	132.4	0	0	0	110.6
20	R	22	Very low	25.9	Very low	231 Å²	231	134.6 Å²	134.6	87%	0.872	76%	0.757	S	S	*	*			trans	-78.2	156	-158.7	-69.6	175.9	172.1	167.5	-4.5	114.5
21	L	24.6	Very low	25.7	Very low	175 Å²	175	139.8 Å²	139.8	92%	0.916	78%	0.784	S	S	*	*			trans	-62.9	124.1	159.1	-77.2	163.6	0	0	0	111.6
22	T	25.9	Very low	25.7	Very low	141 Å²	141	140.3 Å²	140.3	87%	0.865	79%	0.791	S	S	*	*			trans	-148.6	134.6	149.5	40.8	0	0	0	0	107.2
23	G	23.4	Very low	25.8	Very low	67 Å²	67	144.8 Å²	144.8	69%	0.691	82%	0.821	S	S	*	*			trans	-100.4	-154.8	-169.1	0	0	0	0	0	115.9
24	F	25.1	Very low	25.8	Very low	224 Å²	224	143 Å²	143	98%	0.982	82%	0.818	S	S	*	*			trans	77.9	135.7	-178.2	-67.4	-90.1	0	0	0	118
25	G	23.2	Very low	26	Very low	67 Å²	67	139.8 Å²	139.8	69%	0.691	82%	0.816	S	S	*	*				125.6	67.5	127.6	0	0	0	0	0	120.7
26	L	25.2	Very low	25.9	Very low	153 Å²	153	143.9 Å²	143.9	80%	0.801	82%	0.824	S	S	*	*			trans	51	134.4	138.7	-65.2	170.2	0	0	0	123.5
27	E	24.3	Very low	26.2	Very low	184 Å²	184	145.7 Å²	145.7	86%	0.86	82%	0.819	S	S	*	*			trans	72.5	139.2	138	-69.6	172.9	-169.7	0	0	122.6
28	G	28.5	Very low	26.5	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	81%	0.814	S	S	*	*			trans	155.6	65.7	177.5	0	0	0	0	0	114.9
29	N	23.9	Very low	26.8	Very low	156 Å²	156	152.5 Å²	152.5	83%	0.834	82%	0.815	S	S	*	*			trans	-73.3	152.9	174.6	-76.4	-18.3	0	0	0	112.6
30	F	27.1	Very low	27.2	Very low	208 Å²	208	147.9 Å²	147.9	91%	0.912	80%	0.802	S	S	*	*			trans	-152.4	155.1	137.3	-122.2	-79.2	0	0	0	111.8
31	E	26.1	Very low	27.5	Very low	177 Å²	177	146 Å²	146	83%	0.827	80%	0.803	S	S	*	*			trans	-97.7	166.9	-153.6	-63	178.6	105.3	0	0	117.3
32	S	25.2	Very low	27.9	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	80%	0.798	S	S	*	*			trans	-88.3	153.1	169.5	60.2	0	0	0	0	113.2
33	V	29.3	Very low	28.1	Very low	141 Å²	141	140.5 Å²	140.5	86%	0.855	79%	0.793	S	S	*	*			trans	-131.7	126.6	160	-178.1	0	0	0	0	110.6
34	I	25.4	Very low	28.6	Very low	142 Å²	142	143.6 Å²	143.6	73%	0.728	79%	0.793	S	S	*	*			trans	-134.1	125.3	168.5	-58.8	174.4	0	0	0	108
35	P	29.3	Very low	29	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	78%	0.779	S	S	*	*			trans	-89.6	131.2	165.4	32.7	-29.2	0	0	0	111.6
36	K	29.5	Very low	29.5	Very low	183 Å²	183	143.4 Å²	143.4	80%	0.796	79%	0.785	S	S	*	*			trans	-126.2	140.5	163.8	-78.2	-175.4	176.3	-179.7	0	108.9
37	N	34.5	Very low	30	Very low	141 Å²	141	141 Å²	141	75%	0.754	77%	0.773	S	S	*	*			trans	154.2	153.4	156.1	-82.9	-21.7	0	0	0	108.9
38	K	34	Very low	30.7	Very low	157 Å²	157	140.4 Å²	140.4	68%	0.683	77%	0.768	S	S	*	*			cis	-174.1	143.6	-17.7	-111	173.5	-177.7	-178.5	0	107.4
39	H	30.3	Very low	31.1	Very low	178 Å²	178	141.5 Å²	141.5	82%	0.824	76%	0.763	S	S	*	*			trans	52.9	154.4	150.4	-68.7	-65.5	0	0	0	120
40	A	33.6	Very low	31.7	Very low	79 Å²	79	139.8 Å²	139.8	65%	0.653	75%	0.754	S	S	*	*			cis	-155	-166.6	-8.1	0	0	0	0	0	109.9
41	E	29.3	Very low	32.2	Very low	192 Å²	192	137.7 Å²	137.7	90%	0.897	75%	0.747	S	S	*	*			trans	-54.6	160.5	-174.1	-57.9	123.9	133.5	0	0	117.1
42	G	33.1	Very low	32.7	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	75%	0.748	S	S	*	*			trans	173	127.3	167.2	0	0	0	0	0	111.9
43	T	30.2	Very low	33.3	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	74%	0.744	S	S	*	*			trans	-110.5	168.3	-166.3	56.8	0	0	0	0	115
44	D	33.3	Very low	33.7	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	74%	0.741	S	S	*	*			trans	87.9	125.6	145.3	-59	-39.7	0	0	0	124.4
45	T	32.7	Very low	34.2	Very low	112 Å²	112	139.6 Å²	139.6	69%	0.687	74%	0.738	S	S	*	*			trans	67.2	118.1	137.6	55	0	0	0	0	124.2
46	E	34.4	Very low	34.4	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	74%	0.739	S	S	*	*			trans	66.4	160.1	130.1	-55.6	-177.1	150.2	0	0	118.6
47	D	35.8	Very low	34.7	Very low	101 Å²	101	141.4 Å²	141.4	54%	0.54	74%	0.737	S	S	.	*			cis	-162.4	167.8	18	-155.6	-13	0	0	0	113.2
48	K	38.7	Very low	34.6	Very low	172 Å²	172	140.8 Å²	140.8	75%	0.748	73%	0.733	S	S	*	*			trans	63.2	159.9	156.9	-79.1	143.5	-171.4	148.9	0	119.1
49	S	37.4	Very low	34.7	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	74%	0.742	S	S	*	*			cis	-177.7	162.6	-10.3	50.5	0	0	0	0	108.5
50	N	36.1	Very low	34.7	Very low	121 Å²	121	138.7 Å²	138.7	65%	0.647	75%	0.745	S	S	*	*			cis	-168.7	159.7	-9.2	-111	35.1	0	0	0	110.2
51	E	37.8	Very low	34.7	Very low	164 Å²	164	137.8 Å²	137.8	77%	0.766	74%	0.744	S	S	*	*			trans	58.5	164.2	148.7	-66.9	159.1	130.8	0	0	119.8
52	E	36.6	Very low	34.9	Very low	178 Å²	178	138 Å²	138	83%	0.832	75%	0.745	S	S	*	*			cis	-121.1	154	2.6	-62.6	172.9	104.2	0	0	110.5
53	E	37.4	Very low	35	Very low	142 Å²	142	142.7 Å²	142.7	66%	0.664	75%	0.746	S	S	*	*			cis	84.2	96.7	42.1	-111.1	-90	138.1	0	0	116.2
54	K	37.3	Very low	35.2	Very low	180 Å²	180	141.1 Å²	141.1	78%	0.783	74%	0.74	S	S	*	*				176.5	150.3	115.7	-98.2	165.4	-174.3	151	0	117.5
55	P	36.4	Very low	35.4	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	74%	0.74	S	S	*	*			trans	-133.8	-177.8	177.3	36.2	-16	0	0	0	116.5
56	K	34.2	Very low	35.6	Very low	182 Å²	182	143.7 Å²	143.7	79%	0.791	74%	0.744	S	S	*	*			trans	125.9	157.7	143.5	-67.1	-175.8	175.9	-178.5	0	118.4
57	E	35.7	Very low	35.8	Very low	160 Å²	160	141.4 Å²	141.4	75%	0.748	73%	0.733	S	S	*	*			trans	74.6	151.5	159.1	-46.2	-152	161.6	0	0	118.8
58	N	32.4	Very low	35.8	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	74%	0.739	S	S	*	*			cis	-172.6	166.6	-33.8	-97.7	-21.1	0	0	0	108.9
59	N	35.8	Very low	35.7	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	74%	0.742	S	S	*	*			trans	107.5	161.4	157.2	-58.3	-26.2	0	0	0	119.8
60	S	29.7	Very low	35.6	Very low	126 Å²	126	142.6 Å²	142.6	88%	0.881	74%	0.741	S	S	*	*			trans	-142.7	159.5	-155.7	52.9	0	0	0	0	114.2
61	G	33.5	Very low	35.6	Very low	61 Å²	61	145.9 Å²	145.9	63%	0.629	75%	0.749	S	S	*	*			trans	176.9	138.1	169.2	0	0	0	0	0	106.9
62	E	34.4	Very low	35.4	Very low	195 Å²	195	146.7 Å²	146.7	91%	0.911	75%	0.75	S	S	*	*				63.2	126.9	53.7	-59.7	-175.8	143.4	0	0	110.8
63	E	35.4	Very low	35.4	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	76%	0.755	S	S	*	*			cis	-130.5	161.2	16.9	-58.7	168.3	108.3	0	0	111.3
64	S	33.4	Very low	35.1	Very low	91 Å²	91	147.9 Å²	147.9	64%	0.636	76%	0.76	S	S	*	*				54.9	148.2	100	100.3	0	0	0	0	116.6
65	D	38.2	Very low	35	Very low	131 Å²	131	144.7 Å²	144.7	70%	0.701	76%	0.761	S	S	*	*			cis	-153.3	161.9	16.5	-96.1	-52.6	0	0	0	113.6
66	E	37.3	Very low	34.9	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	76%	0.764	S	S	*	*			trans	48.7	161.5	146.3	-63.7	-163	128.3	0	0	122.2
67	E	37.4	Very low	35	Very low	126 Å²	126	141.9 Å²	141.9	59%	0.589	76%	0.76	S	S	*	*			cis	-154.6	152.5	15.1	-146.3	-172	-147.8	0	0	114.2
68	K	37.5	Very low	35	Very low	149 Å²	149	141.2 Å²	141.2	65%	0.648	76%	0.755	S	S	*	*			trans	44.3	117.8	150.9	-77.6	161.9	-152.9	159.5	0	121.9
69	N	34.9	Very low	35	Very low	155 Å²	155	139.6 Å²	139.6	83%	0.829	75%	0.754	S	S	*	*				78.9	142.2	84.4	-98	-39	0	0	0	115.8
70	S	37.1	Very low	35.3	Very low	95 Å²	95	140 Å²	140	66%	0.664	76%	0.756	S	S	*	*			cis	-164.3	159.7	14.6	62.9	0	0	0	0	115.6
71	K	35.8	Very low	35.6	Very low	190 Å²	190	142 Å²	142	83%	0.826	75%	0.751	S	S	*	*			trans	55.3	114.1	134.7	-159.9	179.4	-172.4	-176.6	0	119.4
72	K	33	Very low	35.8	Very low	181 Å²	181	148.4 Å²	148.4	79%	0.787	77%	0.765	S	S	*	*			cis	88.5	109.5	47.3	-177	-164.2	177.2	-179.8	0	114.7
73	E	37.2	Very low	35.8	Very low	199 Å²	199	145 Å²	145	93%	0.93	75%	0.753	S	S	*	*			trans	-136.1	166.4	149.9	-69.7	-151.7	139.6	0	0	110.4
74	N	30.5	Very low	36	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	75%	0.745	S	S	*	*			trans	-162.9	172.6	-164	-165.6	22.4	0	0	0	113
75	S	35.4	Very low	36.1	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	75%	0.754	S	S	*	*			trans	75.8	151.9	177.6	76.4	0	0	0	0	116.6
76	G	33.2	Very low	36	Very low	71 Å²	71	148.7 Å²	148.7	73%	0.732	76%	0.757	S	S	*	*			cis	-116.9	-141.9	-1.3	0	0	0	0	0	113.6
77	E	37	Very low	35.9	Very low	155 Å²	155	148.9 Å²	148.9	72%	0.724	76%	0.758	S	S	*	*			cis	-155.4	-122.3	-5.3	-127.6	-59.5	78.6	0	0	111.2
78	K	35.4	Very low	35.8	Very low	147 Å²	147	150 Å²	150	64%	0.639	77%	0.769	S	S	*	*			trans	-118.9	155.4	-171.4	-70	175.2	-170.5	66.9	0	112.6
79	S	33.1	Very low	35.7	Very low	93 Å²	93	148.5 Å²	148.5	65%	0.65	78%	0.777	S	S	*	*			cis	90.2	123.9	18.5	85.9	0	0	0	0	117.4
80	D	41	Very low	35.5	Very low	174 Å²	174	144.5 Å²	144.5	93%	0.93	77%	0.772	S	S	*	*			trans	-156.6	152.2	157.2	-97.4	-47.5	0	0	0	108
81	E	36.4	Very low	35.3	Very low	166 Å²	166	149.8 Å²	149.8	78%	0.776	79%	0.786	S	S	*	*			trans	-149.4	82.8	-152.5	-161.9	176.1	106.3	0	0	116.7	N83	E81-N83 PolarHBondContact O-ND2 3.35Å
82	E	37.6	Very low	35	Very low	196 Å²	196	150.4 Å²	150.4	92%	0.916	79%	0.789	S	S	*	*			trans	-113.2	119.3	166.4	-68.5	-165.7	138.4	0	0	111.7
83	N	35.9	Very low	34.9	Very low	123 Å²	123	146.2 Å²	146.2	66%	0.658	78%	0.783	S	S	*	*			cis	69.1	136.3	44.2	-71.8	-59.4	0	0	0	114.3	E81	E81-N83 PolarHBondContact O-ND2 3.35Å
84	V	37.9	Very low	34.8	Very low	109 Å²	109	143.2 Å²	143.2	66%	0.661	77%	0.773	S	S	*	*			cis	-167.7	149.1	-16.7	86.9	0	0	0	0	109.2
85	K	36.3	Very low	34.9	Very low	189 Å²	189	142.6 Å²	142.6	82%	0.822	77%	0.765	S	S	*	*				165.3	169	117.2	-122.4	140.6	-161.7	168.9	0	114.8
86	K	35.5	Very low	34.8	Very low	179 Å²	179	146.9 Å²	146.9	78%	0.778	77%	0.773	S	S	*	*			trans	-67	-180	176	-43.9	172.2	-179.7	-177.3	0	112.2
87	E	35.5	Very low	34.9	Very low	171 Å²	171	150.2 Å²	150.2	80%	0.799	77%	0.767	S	S	*	*			cis	-143.5	149.5	20.2	-60.9	176.3	156.2	0	0	107.1
88	D	35.4	Very low	34.8	Very low	151 Å²	151	150.4 Å²	150.4	81%	0.807	77%	0.773	S	S	*	*			cis	103.7	128.6	37.6	-158	7.5	0	0	0	113.6
89	S	35.9	Very low	34.8	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	77%	0.774	S	S	*	*			trans	63.2	149.6	174.3	76.5	0	0	0	0	121.6
90	G	29.6	Very low	34.8	Very low	71 Å²	71	151.5 Å²	151.5	73%	0.732	78%	0.778	S	S	*	*			trans	123	86.2	138.3	0	0	0	0	0	121.8
91	E	33.9	Very low	34.5	Very low	206 Å²	206	150.7 Å²	150.7	96%	0.963	77%	0.769	S	S	*	*			trans	56.8	-178.7	145	-86.4	-173.6	129.8	0	0	123.1
92	K	29.2	Very low	34.3	Very low	202 Å²	202	150.8 Å²	150.8	88%	0.878	77%	0.769	S	S	*	*			trans	-122.6	142.4	-177	-54.9	165.5	177.7	170.9	0	109.6
93	S	31	Very low	34.2	Very low	94 Å²	94	148.2 Å²	148.2	66%	0.657	76%	0.762	S	S	*	*				179.2	172	121.4	63	0	0	0	0	111.4
94	D	35.6	Very low	34.1	Very low	136 Å²	136	147.2 Å²	147.2	73%	0.727	76%	0.764	S	S	*	*			trans	59.4	115.1	154.2	-46.7	-36.6	0	0	0	118.7
95	E	31.4	Very low	33.8	Very low	131 Å²	131	145.9 Å²	145.9	61%	0.612	77%	0.772	S	S	*	*				86	101	58.6	-167.5	-157.9	-130.2	0	0	112.9	K97	E95-K97 HydrophobicContact CG-CG 4.2Å; E95-K97 WeakPolarHBondContact OE1-CE 3.17Å; E95-K97 IonicContact OE1-NZ 2.58Å; E95-K97 PolarHBondContact OE1-NZ 2.65Å; E95-K97 IonicContact OE2-NZ 2.63Å; E95-K97 PolarHBondContact OE2-NZ 2.64Å
96	E	34.7	Very low	33.5	Very low	203 Å²	203	145.6 Å²	145.6	95%	0.949	77%	0.774	S	S	*	*			trans	-105.7	131	156.1	-81.8	-161.8	130.4	0	0	110.3
97	K	34.8	Very low	33.4	Very low	141 Å²	141	146.7 Å²	146.7	61%	0.613	78%	0.779	S	S	*	*			trans	-107.5	144.6	174.5	-63.9	-175.3	171.3	87.9	0	109.9	E95	E95-K97 HydrophobicContact CG-CG 4.2Å; E95-K97 WeakPolarHBondContact OE1-CE 3.17Å; E95-K97 IonicContact OE1-NZ 2.58Å; E95-K97 PolarHBondContact OE1-NZ 2.65Å; E95-K97 IonicContact OE2-NZ 2.63Å; E95-K97 PolarHBondContact OE2-NZ 2.64Å
98	N	34.3	Very low	33	Very low	160 Å²	160	144.1 Å²	144.1	86%	0.856	78%	0.775	S	S	*	*			trans	176.5	148.1	135.5	-89.8	-25.1	0	0	0	110.2
99	S	36.4	Very low	33.2	Very low	93 Å²	93	145 Å²	145	65%	0.65	78%	0.78	S	S	*	*			cis	-177.6	131.2	-22.9	47.1	0	0	0	0	108.5
100	K	32.3	Very low	32.9	Very low	170 Å²	170	146.7 Å²	146.7	74%	0.739	78%	0.775	S	S	*	*			trans	49.5	150.1	145.3	-111	-174.5	170	-154.1	0	119.4
101	E	35.1	Very low	33.2	Very low	157 Å²	157	152.9 Å²	152.9	73%	0.734	79%	0.785	S	S	*	*			cis	-141.5	161.9	20.2	-53	-178.9	124.6	0	0	107.1
102	E	32.6	Very low	33.2	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	77%	0.767	S	S	*	*			cis	55.9	128.6	48.3	-73	179.7	176.2	0	0	112.6
103	D	34.5	Very low	33.4	Very low	143 Å²	143	147 Å²	147	77%	0.765	76%	0.763	S	S	*	*			cis	-160.9	177.3	10	175.6	41.7	0	0	0	110.7
104	S	33.4	Very low	33.6	Very low	102 Å²	102	147.7 Å²	147.7	71%	0.713	77%	0.767	S	S	*	*			trans	19.1	149.8	156.7	66.6	0	0	0	0	124.2
105	G	31.8	Very low	33.2	Very low	80 Å²	80	148.3 Å²	148.3	83%	0.825	76%	0.764	S	S	*	*			trans	165.8	79	167	0	0	0	0	0	117.5
106	E	31	Very low	33.4	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	78%	0.775	S	S	*	*			trans	-65.8	137.9	172.6	168.7	-174.7	-138.9	0	0	113.9
107	K	33.9	Very low	33.1	Very low	202 Å²	202	148.2 Å²	148.2	88%	0.878	76%	0.763	S	S	*	*			trans	-169.7	150.9	135.9	-108.1	157.9	-169.1	172.6	0	116.2
108	T	27.2	Very low	33.1	Very low	118 Å²	118	149 Å²	149	72%	0.724	78%	0.775	S	S	*	*			trans	-93.1	159.3	172.1	51.5	0	0	0	0	111.9
109	D	37.8	Very low	32.9	Very low	170 Å²	170	146.6 Å²	146.6	91%	0.909	77%	0.77	S	S	*	*			trans	-148.5	144.6	141.5	-89.8	-44.8	0	0	0	110.5
110	E	31.1	Very low	32.6	Very low	152 Å²	152	146 Å²	146	71%	0.71	78%	0.779	S	S	*	*			trans	-101.5	151.2	167.9	-70.9	-171.8	130.2	0	0	109.5	K112	E110-K112 VanDerWaalsContact CD-NZ 3.28Å; E110-K112 IonicContact OE1-NZ 2.77Å; E110-K112 PolarHBondContact OE1-NZ 2.59Å; E110-K112 IonicContact OE2-NZ 2.66Å; E110-K112 PolarHBondContact OE2-NZ 2.72Å
111	E	36	Very low	32.5	Very low	201 Å²	201	145.4 Å²	145.4	94%	0.939	78%	0.779	S	S	*	*			trans	-141.6	160.1	149.5	-125.5	177.4	-169.6	0	0	112.1
112	K	34	Very low	32.4	Very low	134 Å²	134	145.4 Å²	145.4	58%	0.583	78%	0.776	S	S	*	*			trans	-135.8	167.7	-160.3	-72.4	-173.6	170	75.4	0	113.2	E110	E110-K112 VanDerWaalsContact CD-NZ 3.28Å; E110-K112 IonicContact OE1-NZ 2.77Å; E110-K112 PolarHBondContact OE1-NZ 2.59Å; E110-K112 IonicContact OE2-NZ 2.66Å; E110-K112 PolarHBondContact OE2-NZ 2.72Å
113	N	32.2	Very low	32.1	Very low	151 Å²	151	143 Å²	143	81%	0.807	77%	0.773	S	S	*	*			trans	72.7	157.9	163.4	-56.6	-23.4	0	0	0	115.6
114	S	34.7	Very low	32	Very low	107 Å²	107	143 Å²	143	75%	0.748	77%	0.773	S	S	*	*			cis	-157	132.5	-10.8	28.2	0	0	0	0	107.9
115	K	29	Very low	31.9	Very low	149 Å²	149	147 Å²	147	65%	0.648	78%	0.781	S	S	*	*				59	104.5	91.9	-166	-170.7	-171.2	-65.9	0	116.3	E117	K115-E117 VanDerWaalsContact CE-OE1 3.27Å; K115-E117 WeakPolarHBondContact CE-OE1 3.16Å; K115-E117 VanDerWaalsContact NZ-CD 3.32Å; K115-E117 IonicContact NZ-OE1 2.97Å; K115-E117 PolarHBondContact NZ-OE1 2.62Å; K115-E117 IonicContact NZ-OE2 2.69Å
116	E	33.8	Very low	31.7	Very low	182 Å²	182	150.1 Å²	150.1	85%	0.85	77%	0.774	S	S	*	*			trans	-177.9	129.1	140.9	-99.1	157.1	-156	0	0	105.3
117	E	29.9	Very low	31.8	Very low	151 Å²	151	150 Å²	150	71%	0.706	77%	0.77	S	S	*	*			cis	67.8	98.3	43.3	-76.5	175.9	-124.6	0	0	115.1	K115	K115-E117 VanDerWaalsContact CE-OE1 3.27Å; K115-E117 WeakPolarHBondContact CE-OE1 3.16Å; K115-E117 VanDerWaalsContact NZ-CD 3.32Å; K115-E117 IonicContact NZ-OE1 2.97Å; K115-E117 PolarHBondContact NZ-OE1 2.62Å; K115-E117 IonicContact NZ-OE2 2.69Å
118	D	33.4	Very low	31.4	Very low	158 Å²	158	148 Å²	148	85%	0.845	77%	0.769	S	S	*	*				-154.3	-177.5	117.6	-153.5	-8.3	0	0	0	110.9
119	S	30.2	Very low	31.7	Very low	108 Å²	108	148 Å²	148	76%	0.755	77%	0.774	S	S	*	*			trans	-129.3	164.1	-162.6	58.8	0	0	0	0	111.8
120	G	31.9	Very low	31.3	Very low	82 Å²	82	147.2 Å²	147.2	85%	0.845	76%	0.763	S	S	*	*			trans	-172.9	139.2	178.6	0	0	0	0	0	112.7
121	E	29.6	Very low	31.4	Very low	156 Å²	156	148.3 Å²	148.3	73%	0.729	77%	0.768	S	S	*	*			trans	-133.6	168.9	-168.2	-161.1	-161	-168.2	0	0	110.6
122	K	32.2	Very low	31.2	Very low	157 Å²	157	145.7 Å²	145.7	68%	0.683	76%	0.755	S	S	*	*			trans	81.7	120.5	170.3	-64.8	152.9	177.7	120.9	0	114.6
123	T	25.7	Very low	31	Very low	117 Å²	117	147 Å²	147	72%	0.718	77%	0.769	S	S	*	*			cis	101.8	169	41.9	63.9	0	0	0	0	112.3
124	D	34.1	Very low	31.2	Very low	142 Å²	142	145.3 Å²	145.3	76%	0.759	77%	0.769	S	S	*	*			trans	80.5	104.3	173.9	-43.4	7.3	0	0	0	112.2
125	E	30	Very low	30.9	Very low	187 Å²	187	143.6 Å²	143.6	87%	0.874	77%	0.768	S	S	*	*				86.3	126.3	51.9	-70.9	-154.7	145.1	0	0	116.5
126	E	27.9	Very low	31.2	Very low	146 Å²	146	143.9 Å²	143.9	68%	0.682	77%	0.771	S	S	*	*			trans	41.9	125.8	159.5	-57.7	-159.4	143	0	0	123.2
127	K	33.4	Very low	31.1	Very low	180 Å²	180	144.1 Å²	144.1	78%	0.783	77%	0.77	S	S	*	*				-174.3	166.2	94.4	-107.6	145.5	-167	75.3	0	115.3
128	N	26.1	Very low	31.2	Very low	161 Å²	161	140.1 Å²	140.1	86%	0.861	77%	0.769	S	S	*	*			trans	-103.4	142.8	-179.4	-85.4	-47.9	0	0	0	113.3
129	S	33.7	Very low	31.3	Very low	118 Å²	118	140.7 Å²	140.7	83%	0.825	77%	0.772	S	S	*	*			trans	174.7	131.2	147.9	24.5	0	0	0	0	106.2
130	K	27.8	Very low	31.3	Very low	153 Å²	153	143.8 Å²	143.8	67%	0.665	78%	0.775	S	S	*	*			cis	75.5	90.7	23	-160.9	-168	177.9	-67.8	0	115.7	E132	K130-E132 IonicContact NZ-OE1 3.28Å; K130-E132 PolarHBondContact NZ-OE1 2.77Å
131	E	33.2	Very low	31.5	Very low	174 Å²	174	150 Å²	150	81%	0.813	78%	0.779	S	S	*	*			trans	172.1	169.8	141	-96.5	157.2	-150.9	0	0	107.2
132	E	33.3	Very low	31.7	Very low	146 Å²	146	151 Å²	151	68%	0.682	78%	0.781	S	S	*	*				-169	113	-61.7	-113.3	174.5	-134.5	0	0	106.2	K130	K130-E132 IonicContact NZ-OE1 3.28Å; K130-E132 PolarHBondContact NZ-OE1 2.77Å
133	D	29.4	Very low	31.8	Very low	161 Å²	161	151.5 Å²	151.5	86%	0.861	79%	0.791	S	S	*	*			trans	59.1	166.3	154	-140.8	-6.5	0	0	0	122
134	S	36.1	Very low	32	Very low	117 Å²	117	152.4 Å²	152.4	82%	0.818	79%	0.791	S	S	*	*			trans	66.5	151.4	-175.8	77.1	0	0	0	0	116.5
135	G	28.5	Very low	32.2	Very low	70 Å²	70	153.9 Å²	153.9	72%	0.722	80%	0.799	S	S	*	*			cis	165.2	135.1	-10.7	0	0	0	0	0	113.5
136	E	35.2	Very low	32.2	Very low	155 Å²	155	151.8 Å²	151.8	72%	0.724	79%	0.787	S	S	*	*			trans	77.7	109	159.2	-163.5	148.7	-127.2	0	0	121.8
137	K	31.4	Very low	32.5	Very low	187 Å²	187	153.9 Å²	153.9	81%	0.813	80%	0.797	S	S	*	*			trans	44.9	145.8	138	-60.1	167.5	-163.9	155.3	0	123.4
138	G	32.8	Very low	32.5	Very low	68 Å²	68	151.8 Å²	151.8	70%	0.701	79%	0.79	S	S	*	*			trans	107.4	134.3	162.8	0	0	0	0	0	113.4
139	D	35.2	Very low	32.8	Very low	169 Å²	169	151 Å²	151	90%	0.904	79%	0.785	S	S	*	*			cis	-150.4	173.1	-5.7	-98.6	-35.9	0	0	0	110.9
140	E	30	Very low	32.9	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.813	78%	0.784	S	S	*	*			trans	-59.8	148	-174.9	-55.4	-173.8	136.1	0	0	115.4
141	K	36.7	Very low	33	Very low	212 Å²	212	146.6 Å²	146.6	92%	0.922	79%	0.785	S	S	*	*			trans	-152.4	133.2	137.6	-117.8	155.3	-169.3	165.2	0	114
142	K	32.8	Very low	32.9	Very low	177 Å²	177	148 Å²	148	77%	0.77	79%	0.791	S	S	*	*			trans	-66.4	150.5	-179.2	-63.5	168.1	177.4	170.2	0	112.3
143	N	34.4	Very low	32.8	Very low	167 Å²	167	149.7 Å²	149.7	89%	0.893	80%	0.797	S	S	*	*				-152.1	146.1	119.4	-113.1	-15.1	0	0	0	111.6
144	N	30.4	Very low	32.7	Very low	136 Å²	136	149.1 Å²	149.1	73%	0.727	79%	0.793	S	S	*	*			trans	-99.3	154.7	-178.6	-63.9	-11.4	0	0	0	110.8
145	N	38	Very low	32.5	Very low	174 Å²	174	149.8 Å²	149.8	93%	0.93	79%	0.792	S	S	*	*			trans	-152.3	155.4	136.6	-98.9	-22.2	0	0	0	109.2
146	K	29.8	Very low	32.4	Very low	142 Å²	142	153.1 Å²	153.1	62%	0.617	79%	0.789	S	S	*	*			trans	-155.3	114.6	-149	176.4	-117.4	-168.3	-163.2	0	113.5	E148	K146-E148 WeakPolarHBondContact CE-OE1 3.48Å; K146-E148 WeakPolarHBondContact CE-OE2 3.42Å; K146-E148 IonicContact NZ-OE1 2.76Å; K146-E148 PolarHBondContact NZ-OE1 2.72Å; K146-E148 IonicContact NZ-OE2 3.61Å; K146-E148 PolarHBondContact NZ-OE2 2.71Å
147	E	34.3	Very low	32.1	Very low	191 Å²	191	155 Å²	155	89%	0.893	80%	0.798	S	S	*	*			trans	-144.7	119.7	160.8	-59.7	-176.9	149.9	0	0	103.7
148	E	33.3	Very low	32.1	Very low	135 Å²	135	153.2 Å²	153.2	63%	0.631	79%	0.79	S	S	*	*			cis	64.4	125.3	42.3	-74.1	-176.8	165.2	0	0	113.7	K146	K146-E148 WeakPolarHBondContact CE-OE1 3.48Å; K146-E148 WeakPolarHBondContact CE-OE2 3.42Å; K146-E148 IonicContact NZ-OE1 2.76Å; K146-E148 PolarHBondContact NZ-OE1 2.72Å; K146-E148 IonicContact NZ-OE2 3.61Å; K146-E148 PolarHBondContact NZ-OE2 2.71Å
149	D	33.5	Very low	31.7	Very low	144 Å²	144	157.5 Å²	157.5	77%	0.77	80%	0.797	S	S	*	*			cis	-154.9	178.3	-1	-144	34.8	0	0	0	109.7
150	S	35	Very low	31.5	Very low	113 Å²	113	157.2 Å²	157.2	79%	0.79	79%	0.794	S	S	*	*			cis	-155.4	-85.1	19.9	51.6	0	0	0	0	115.3
151	G	30.3	Very low	31.2	Very low	67 Å²	67	158.2 Å²	158.2	69%	0.691	80%	0.796	S	S	*	*			trans	-96.4	169.1	-168.2	0	0	0	0	0	115.3
152	E	31.5	Very low	31	Very low	202 Å²	202	158 Å²	158	94%	0.944	80%	0.795	S	S	*	*			cis	-136.1	176.2	16.1	-163.3	163.2	-150.5	0	0	112.5
153	K	30.4	Very low	30.6	Very low	183 Å²	183	159.5 Å²	159.5	80%	0.796	80%	0.802	S	S	*	*			trans	-117.3	165.8	-163.4	-64.2	178.2	179.6	173.3	0	114.4
154	N	28.3	Very low	30.4	Very low	148 Å²	148	154.7 Å²	154.7	79%	0.791	79%	0.792	S	S	*	*			trans	72.8	152.8	151.6	-82.6	8.1	0	0	0	117.3
155	V	31	Very low	30.2	Very low	131 Å²	131	155.3 Å²	155.3	79%	0.794	80%	0.801	S	S	*	*			cis	-131.1	155.7	-1.1	-162.9	0	0	0	0	110.1
156	E	25.5	Very low	29.7	Very low	140 Å²	140	150.6 Å²	150.6	65%	0.654	79%	0.793	S	S	*	*			trans	-73.4	133.1	163.2	176.6	-154	-165.7	0	0	111.5	K158	E156-K158 WeakPolarHBondContact OE1-CE 3.04Å; E156-K158 IonicContact OE1-NZ 2.65Å; E156-K158 PolarHBondContact OE1-NZ 2.92Å; E156-K158 IonicContact OE2-NZ 3.35Å; E156-K158 PolarHBondContact OE2-NZ 3.3Å
157	E	29.5	Very low	29.9	Very low	195 Å²	195	151.6 Å²	151.6	91%	0.911	80%	0.8	S	S	*	*			trans	-129.1	144.5	164.4	-163.8	161.9	-131.4	0	0	113.1
158	K	32.3	Very low	29.7	Very low	149 Å²	149	149.7 Å²	149.7	65%	0.648	79%	0.789	S	S	*	*			trans	-106.5	169.6	-168.2	-64.2	-179.2	171.3	75.1	0	111.5	E156	E156-K158 WeakPolarHBondContact OE1-CE 3.04Å; E156-K158 IonicContact OE1-NZ 2.65Å; E156-K158 PolarHBondContact OE1-NZ 2.92Å; E156-K158 IonicContact OE2-NZ 3.35Å; E156-K158 PolarHBondContact OE2-NZ 3.3Å
159	N	24.6	Very low	29.8	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	79%	0.789	S	S	*	*			trans	-44.8	143.3	168	-68.2	-60	0	0	0	113
160	L	30	Very low	29.8	Very low	163 Å²	163	147.4 Å²	147.4	85%	0.853	79%	0.788	S	S	*	*			trans	-166.8	140.2	135.3	-107.8	166.5	0	0	0	113.4
161	K	23.6	Very low	29.7	Very low	196 Å²	196	150 Å²	150	85%	0.852	79%	0.788	S	S	*	*			trans	-80.2	146	158.7	-76.4	175.2	173.7	172.4	0	109.2
162	K	32.8	Very low	29.9	Very low	208 Å²	208	153.7 Å²	153.7	90%	0.904	79%	0.787	S	S	*	*			trans	-151.9	156.3	155.2	-118.5	171.8	-176.5	178.8	0	113.1
163	K	25.4	Very low	30	Very low	207 Å²	207	150.8 Å²	150.8	90%	0.9	77%	0.771	S	S	*	*			trans	-110.3	152.1	175	-83.3	-174.3	170.9	-174.5	0	110
164	G	28.6	Very low	30.3	Very low	67 Å²	67	148.2 Å²	148.2	69%	0.691	77%	0.767	S	S	*	*			trans	82.4	161.6	157	0	0	0	0	0	116.7
165	T	27.1	Very low	30.6	Very low	149 Å²	149	147.4 Å²	147.4	91%	0.914	76%	0.762	S	S	*	*			cis	-170.2	134.6	-6	10.3	0	0	0	0	110.2
166	G	27.5	Very low	31	Very low	75 Å²	75	148.4 Å²	148.4	77%	0.773	76%	0.756	S	S	*	*			trans	71.7	150.1	170.5	0	0	0	0	0	115.5
167	E	32.8	Very low	31.4	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	76%	0.757	S	S	*	*			cis	-146.8	-163.2	-8.7	-63.7	-160.6	85.9	0	0	107.6
168	K	32	Very low	31.6	Very low	151 Å²	151	146.6 Å²	146.6	66%	0.657	75%	0.752	S	S	*	*			cis	-161.2	177.2	3.2	-148.7	169.5	-173.8	73.7	0	110
169	S	33.7	Very low	31.8	Very low	91 Å²	91	146.5 Å²	146.5	64%	0.636	76%	0.759	S	S	*	*			trans	59.7	135.2	158	54	0	0	0	0	119.7
170	D	34	Very low	32.3	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	75%	0.754	S	S	*	*			cis	-161	151.6	-12.3	-92.6	-37.1	0	0	0	109.1
171	E	33.7	Very low	32.4	Very low	166 Å²	166	139.6 Å²	139.6	78%	0.776	75%	0.747	S	S	*	*			trans	59.1	145.1	157.3	-68.5	-164.2	121.6	0	0	120	K173	E171-K173 IonicContact OE1-NZ 3.58Å
172	E	33.8	Very low	33	Very low	145 Å²	145	138.3 Å²	138.3	68%	0.678	74%	0.744	S	S	*	*			cis	-141.6	145.6	7.7	-74	-158.3	95.1	0	0	113.7
173	K	34.5	Very low	33	Very low	141 Å²	141	136 Å²	136	61%	0.613	73%	0.734	S	S	*	*				39.3	138.9	125.9	-60.2	172.2	-159.8	122	0	120.5	E171	E171-K173 IonicContact OE1-NZ 3.58Å
174	N	34.8	Very low	33.3	Very low	130 Å²	130	130.4 Å²	130.4	70%	0.695	72%	0.721	S	S	*	*			cis	-154.3	159.2	11.5	-79.9	-41.1	0	0	0	111.6
175	D	36.6	Very low	33.7	Very low	131 Å²	131	134.4 Å²	134.4	70%	0.701	73%	0.726	S	S	*	*			trans	42	143.1	133.4	-56.9	6.2	0	0	0	121.7
176	K	37.4	Very low	34	Very low	152 Å²	152	134.2 Å²	134.2	66%	0.661	72%	0.715	S	S	*	*			cis	-167.9	156.9	18.9	-130.9	170.7	178.8	170.1	0	115.2
177	E	35.4	Very low	34.3	Very low	147 Å²	147	137.9 Å²	137.9	69%	0.687	71%	0.712	S	S	*	*			trans	25.5	147.9	139.6	-71	154.4	-153.6	0	0	122.1
178	D	33.4	Very low	34.3	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	70%	0.698	S	S	*	*			cis	-175.5	-173.9	-22.3	-122.2	-42.5	0	0	0	111.5
179	D	36	Very low	34.2	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	71%	0.708	S	S	*	*			trans	72.7	157	163.5	-96.8	-28.8	0	0	0	121.3
180	S	34.8	Very low	34.2	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	71%	0.713	S	S	*	*				-166.9	168.5	-58.6	56.8	0	0	0	0	113.3
181	G	33.4	Very low	34	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	71%	0.711	S	S	*	*			trans	110.1	113	168.9	0	0	0	0	0	115.4
182	E	34.5	Very low	34	Very low	170 Å²	170	135.3 Å²	135.3	79%	0.794	70%	0.701	S	S	*	*				65.3	131.4	71.3	-83.1	-158.4	172.3	0	0	115
183	K	34.4	Very low	33.9	Very low	159 Å²	159	136.7 Å²	136.7	69%	0.691	71%	0.707	S	S	*	*			cis	-140.7	150	16.6	-96.3	167.9	-177.3	74	0	110.2
184	S	31.4	Very low	33.6	Very low	89 Å²	89	136.8 Å²	136.8	62%	0.622	71%	0.714	S	S	*	*				55.7	143.1	87.1	94.2	0	0	0	0	115
185	D	36.3	Very low	33.6	Very low	151 Å²	151	136 Å²	136	81%	0.807	72%	0.719	S	S	*	*			cis	-135.6	-162.8	31.4	-62.4	-48.7	0	0	0	116.1
186	E	33.9	Very low	33.3	Very low	146 Å²	146	133.4 Å²	133.4	68%	0.682	72%	0.724	S	S	*	*			trans	-88.4	174.5	-159	-38.3	-176	101.2	0	0	116.3	K188	E186-K188 WeakPolarHBondContact OE1-CE 3.36Å; E186-K188 IonicContact OE1-NZ 2.75Å; E186-K188 PolarHBondContact OE1-NZ 3.22Å; E186-K188 WeakPolarHBondContact OE2-CE 3.44Å; E186-K188 IonicContact OE2-NZ 2.64Å; E186-K188 PolarHBondContact OE2-NZ 3.04Å
187	E	33.4	Very low	33.1	Very low	151 Å²	151	133.6 Å²	133.6	71%	0.706	73%	0.727	S	S	*	*				-154.7	174.5	74.7	-102.6	-61.6	-9.4	0	0	114.6
188	K	34	Very low	32.9	Very low	104 Å²	104	133.5 Å²	133.5	45%	0.452	72%	0.724	S	S	.	*			trans	-142.9	140.3	-165.6	-1.2	74.4	-155.4	163.1	0	118	E186	E186-K188 WeakPolarHBondContact OE1-CE 3.36Å; E186-K188 IonicContact OE1-NZ 2.75Å; E186-K188 PolarHBondContact OE1-NZ 3.22Å; E186-K188 WeakPolarHBondContact OE2-CE 3.44Å; E186-K188 IonicContact OE2-NZ 2.64Å; E186-K188 PolarHBondContact OE2-NZ 3.04Å
189	N	29.3	Very low	32.7	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	72%	0.719	S	S	*	*			trans	69.5	167.2	158.7	-56	-32	0	0	0	117.4
190	S	34.1	Very low	32.7	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	71%	0.714	S	S	*	*			cis	-136	162.5	7.5	61.2	0	0	0	0	111.1
191	K	29.3	Very low	32.8	Very low	162 Å²	162	132.4 Å²	132.4	70%	0.704	71%	0.714	S	S	*	*				47.6	137	71.3	-92.9	-171.7	165.9	-149.8	0	114.1
192	E	32.3	Very low	32.8	Very low	122 Å²	122	135.5 Å²	135.5	57%	0.57	71%	0.71	S	S	*	*			cis	-162	167.1	17.6	-143.5	149.4	-161.9	0	0	112.6
193	E	32.1	Very low	32.8	Very low	173 Å²	173	134 Å²	134	81%	0.808	70%	0.701	S	S	*	*			trans	22.8	158.9	149.2	-72.6	165.6	-158.4	0	0	123.8
194	D	29.6	Very low	32.6	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	71%	0.705	S	S	*	*			cis	-170.7	171.1	-16.3	179.9	35	0	0	0	109.7
195	S	34.7	Very low	32.7	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	71%	0.705	S	S	*	*			trans	66.9	156.4	179	75.1	0	0	0	0	115.7
196	G	29.8	Very low	32.6	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	70%	0.698	S	S	*	*			cis	129.2	139	18.1	0	0	0	0	0	107.7
197	E	32.8	Very low	32.5	Very low	156 Å²	156	132.7 Å²	132.7	73%	0.729	70%	0.695	S	S	*	*			cis	-163.2	167.9	6.4	-155.8	-154.4	163	0	0	109.1
198	K	32.2	Very low	32.6	Very low	145 Å²	145	134 Å²	134	63%	0.63	70%	0.701	S	S	*	*			trans	64.3	114.7	162.8	-65.8	-173.1	172.6	68.4	0	119.7
199	T	29	Very low	32.4	Very low	112 Å²	112	136 Å²	136	69%	0.687	72%	0.716	S	S	*	*				85.5	159	93.3	75.4	0	0	0	0	114.2
200	D	36.4	Very low	32.6	Very low	127 Å²	127	133.6 Å²	133.6	68%	0.679	71%	0.712	S	S	*	*			cis	-142.9	170.1	8.7	-76.4	-74.7	0	0	0	111.3
201	D	36.5	Very low	32.4	Very low	141 Å²	141	132 Å²	132	75%	0.754	71%	0.714	S	S	*	*			trans	56.5	150.2	142.3	-74.9	-6.4	0	0	0	123.5
202	E	32.4	Very low	32.5	Very low	133 Å²	133	131.9 Å²	131.9	62%	0.621	72%	0.715	S	S	*	*			cis	-167.1	175.6	-19.3	-140.3	-159.1	141.6	0	0	111.8
203	K	34.6	Very low	32.4	Very low	139 Å²	139	133.6 Å²	133.6	60%	0.604	72%	0.721	S	S	*	*			trans	67.7	120.2	150.3	-83.3	171.8	173.1	70.5	0	124.1
204	N	31.7	Very low	32.2	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	72%	0.721	S	S	*	*				68.5	153.4	127.3	-71.9	-1.1	0	0	0	122.7
205	S	32.4	Very low	32.3	Very low	88 Å²	88	127.2 Å²	127.2	62%	0.615	72%	0.717	S	S	*	*			cis	-178.8	168.5	-19.2	55.6	0	0	0	0	112.1
206	K	33.3	Very low	32.1	Very low	153 Å²	153	130.5 Å²	130.5	67%	0.665	72%	0.719	S	S	*	*			trans	79.6	124.2	163.8	-61	-156.1	161.3	-71.9	0	117
207	E	32.8	Very low	32	Very low	133 Å²	133	132.9 Å²	132.9	62%	0.621	71%	0.71	S	S	*	*				83.2	149.1	63.7	-68.3	155.5	-140.2	0	0	113.1
208	E	34.6	Very low	31.8	Very low	178 Å²	178	132.5 Å²	132.5	83%	0.832	71%	0.706	S	S	*	*			cis	-173.7	165.8	-15	-102.8	175.7	-170.4	0	0	106.3
209	D	29.7	Very low	31.6	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	71%	0.713	S	S	*	*			cis	-165.2	-173.4	-14.7	179.2	40.1	0	0	0	108.7
210	S	34.6	Very low	31.7	Very low	114 Å²	114	131 Å²	131	80%	0.797	71%	0.707	S	S	*	*			trans	77	157.8	172.9	79.3	0	0	0	0	117.4
211	G	29.3	Very low	31.4	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	72%	0.715	S	S	*	*			cis	156.2	151.2	-6.8	0	0	0	0	0	111.4
212	E	32.7	Very low	31.2	Very low	159 Å²	159	136 Å²	136	74%	0.743	71%	0.71	S	S	*	*			cis	-162.6	-35.6	-10.8	-160	-130	162.1	0	0	115.7
213	K	29.2	Very low	31.1	Very low	158 Å²	158	136.6 Å²	136.6	69%	0.687	71%	0.713	S	S	*	*			trans	-151.3	166.8	-163.2	-85.9	-171.2	-172.5	96	0	112.2
214	S	29.1	Very low	31.1	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	72%	0.723	S	S	*	*			cis	-174	169.3	-3	44.1	0	0	0	0	111.8
215	G	31.8	Very low	31.1	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	73%	0.725	S	S	*	*			trans	109.7	135.9	168.2	0	0	0	0	0	113.9
216	E	29	Very low	31.1	Very low	183 Å²	183	135.4 Å²	135.4	86%	0.855	73%	0.733	S	S	*	*			cis	72.1	133	41.5	-61.4	-165	140.8	0	0	114.1
217	E	27.4	Very low	30.9	Very low	127 Å²	127	135.7 Å²	135.7	59%	0.593	74%	0.737	S	S	*	*			cis	-161.9	157	-3.3	-121.6	-160	159.9	0	0	113.7
218	K	29.1	Very low	30.8	Very low	148 Å²	148	136.5 Å²	136.5	64%	0.643	74%	0.738	S	S	*	*			trans	56.6	140.7	146.4	-71.9	176.1	-175.6	134.9	0	125
219	N	27.3	Very low	30.5	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	74%	0.737	S	S	*	*			trans	74.3	151	140.3	-71.8	-14.7	0	0	0	121.1
220	S	31.1	Very low	30.6	Very low	81 Å²	81	130.1 Å²	130.1	57%	0.566	74%	0.736	S	S	*	*			cis	-175.5	166	-16.7	60.5	0	0	0	0	112.8
221	R	31	Very low	30.3	Very low	223 Å²	223	131.5 Å²	131.5	84%	0.842	73%	0.73	S	S	*	*			trans	71.7	156.3	158.7	-65.1	171.1	176.7	165.4	-1.1	117.1
222	K	32.2	Very low	30.4	Very low	149 Å²	149	135.6 Å²	135.6	65%	0.648	73%	0.727	S	S	*	*			cis	-154.1	171.2	-8.3	-128.7	-176.2	-176.8	-71.7	0	112.5
223	E	30.8	Very low	30.2	Very low	145 Å²	145	136 Å²	136	68%	0.678	73%	0.726	S	S	*	*			trans	-42	157.5	169.5	-52.2	117.8	-141.5	0	0	117.8
224	D	33.9	Very low	30	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	73%	0.73	S	S	*	*				-158.2	-168.8	103.6	-140.2	-44.9	0	0	0	112.1
225	S	31.4	Very low	30.1	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	73%	0.725	S	S	*	*			trans	-135.8	169.6	-146.2	59.3	0	0	0	0	116.8
226	G	32	Very low	30	Very low	77 Å²	77	139.2 Å²	139.2	79%	0.794	73%	0.727	S	S	*	*			trans	176.3	139.8	173.1	0	0	0	0	0	116.7
227	E	30.8	Very low	30.1	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	72%	0.718	S	S	*	*			trans	-87.8	-174.2	-176.2	-43	-172.5	99.9	0	0	114.2
228	K	29.2	Very low	30.1	Very low	150 Å²	150	140.1 Å²	140.1	65%	0.652	73%	0.731	S	S	*	*			cis	-166.3	153	5.6	-143.9	176.2	-169.6	99.5	0	112.8
229	S	29.4	Very low	30.1	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	74%	0.738	S	S	*	*			trans	48.7	141.5	143.3	62	0	0	0	0	125.2
230	G	30.9	Very low	30.4	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	74%	0.737	S	S	*	*			trans	136.2	70.8	153.3	0	0	0	0	0	115.8
231	E	29.1	Very low	30.2	Very low	143 Å²	143	138.6 Å²	138.6	67%	0.668	75%	0.752	S	S	*	*				78.4	138.2	84.1	-151.9	-129	143.6	0	0	116.3
232	K	30.6	Very low	30.1	Very low	160 Å²	160	131.6 Å²	131.6	70%	0.696	75%	0.749	S	S	*	*			trans	78.4	150.3	172.9	-57	-171.7	178.4	69.3	0	118.6
233	K	28.1	Very low	30	Very low	167 Å²	167	132.9 Å²	132.9	73%	0.726	76%	0.758	S	S	*	*			cis	-175.5	143.3	-40.2	-126	-179.6	177.8	172.3	0	109.3
234	N	26.5	Very low	30	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	77%	0.768	S	S	*	*			trans	63.9	153.4	158.7	-69.3	21.3	0	0	0	116.9
235	S	29.6	Very low	29.9	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	76%	0.762	S	S	*	*			cis	-173.2	164	-12.5	46.1	0	0	0	0	110.5
236	K	30.7	Very low	29.9	Very low	163 Å²	163	136.8 Å²	136.8	71%	0.709	76%	0.763	S	S	*	*			trans	125.6	122.9	130.6	-162.6	172.2	-179	-172.4	0	116.4
237	E	30.7	Very low	29.9	Very low	142 Å²	142	139.1 Å²	139.1	66%	0.664	76%	0.764	S	S	*	*			trans	48.3	123.3	159.3	-71.9	140.8	-136.1	0	0	119.1
238	E	28	Very low	29.9	Very low	186 Å²	186	140.3 Å²	140.3	87%	0.869	77%	0.767	S	S	*	*				66.1	117.4	63	-63.6	-175.9	178.3	0	0	111.8
239	D	29.6	Very low	29.9	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	78%	0.779	S	S	*	*				-160.8	158.6	67.4	-176.7	22.8	0	0	0	114
240	S	32.6	Very low	30	Very low	109 Å²	109	142 Å²	142	76%	0.762	78%	0.778	S	S	*	*			trans	62.6	143.4	163.6	77.6	0	0	0	0	119.4
241	G	27	Very low	29.9	Very low	85 Å²	85	147.7 Å²	147.7	88%	0.876	78%	0.782	S	S	*	*			cis	157.5	83.4	-6.1	0	0	0	0	0	112.3
242	G	29.3	Very low	30.1	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	79%	0.789	S	S	*	*			trans	-169.7	62.8	-172.7	0	0	0	0	0	116.9	K244	G242-K244 PolarHBondContact O-N 3.15Å
243	E	29.2	Very low	29.9	Very low	175 Å²	175	149.3 Å²	149.3	82%	0.818	80%	0.8	S	S	*	*			trans	-76.7	114.5	-176.6	-165.4	-169.7	147.4	0	0	113.7	S245	E243-S245 PolarHBondContact O-N 2.96Å
244	K	31.6	Very low	29.9	Very low	208 Å²	208	145.5 Å²	145.5	90%	0.904	81%	0.808	S	S	*	*			trans	-75.2	86.5	168.5	-81.5	-178.9	176.4	171.1	0	111.2	G242 K246	G242-K244 PolarHBondContact O-N 3.15Å; K244-K246 PolarHBondContact O-N 2.72Å
245	S	32.6	Very low	30.1	Very low	98 Å²	98	142 Å²	142	69%	0.685	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.1	177.7	34.7	0	0	0	0	112.6	E243	E243-S245 PolarHBondContact O-N 2.96Å
246	K	29.4	Very low	30.3	Very low	191 Å²	191	147 Å²	147	83%	0.83	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.3	137.9	170	-70.1	173.8	179.1	171.8	0	109.8	K244 K248	K244-K246 PolarHBondContact O-N 2.72Å; K246-K248 PolarHBondContact O-N 2.92Å
247	P	33.4	Very low	30.3	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.8	130.1	175.1	27.9	-33.6	0	0	0	110.7
248	K	30.3	Very low	30.6	Very low	186 Å²	186	143.1 Å²	143.1	81%	0.809	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-85.9	123	176.9	-69.7	177.1	178	173.5	0	110.7	K246 T250	K246-K248 PolarHBondContact O-N 2.92Å; K248-T250 PolarHBondContact O-N 3.39Å; K248-T250 PolarHBondContact O-OG1 2.9Å; K248-T250 VanDerWaalsContact O-OG1 3.11Å
249	D	29.8	Very low	30.9	Very low	171 Å²	171	138.4 Å²	138.4	91%	0.914	77%	0.774	S	S	*	*			trans	-58.8	99.1	177.8	-77.4	-62	0	0	0	112.7
250	T	32.1	Very low	31.1	Very low	127 Å²	127	133 Å²	133	78%	0.779	75%	0.745	S	S	*	*			trans	-109.6	86.7	-178.2	28.1	0	0	0	0	110.5	K248 P252	K248-T250 PolarHBondContact O-N 3.39Å; K248-T250 PolarHBondContact O-OG1 2.9Å; K248-T250 VanDerWaalsContact O-OG1 3.11Å; T250-P252 WeakPolarHBondContact O-CD 3.36Å
251	K	28.4	Very low	31.2	Very low	194 Å²	194	135.4 Å²	135.4	84%	0.843	74%	0.742	S	S	*	*			trans	-57.1	113.4	179.3	-178.2	176.5	-178.4	174.4	0	111.7	K253	K251-K253 PolarHBondContact O-N 3.41Å
252	P	31.8	Very low	31.7	Very low	125 Å²	125	133.6 Å²	133.6	81%	0.812	71%	0.712	S	S	*	*			trans	-72.3	123.9	-177.6	28.2	-33.7	0	0	0	111.4	T250	T250-P252 WeakPolarHBondContact O-CD 3.36Å
253	K	27.8	Very low	31.9	Very low	213 Å²	213	131.7 Å²	131.7	93%	0.926	69%	0.686	S	S	*	*			trans	-88.1	133.8	169.8	-66.2	178.6	178.5	177.1	0	109.7	K251	K251-K253 PolarHBondContact O-N 3.41Å
254	G	28.7	Very low	32.4	Very low	86 Å²	86	124.6 Å²	124.6	89%	0.887	66%	0.655	S	S	*	*			trans	99.1	39.1	157.5	0	0	0	0	0	119.5
255	A	29.5	Very low	32.8	Very low	69 Å²	69	116.9 Å²	116.9	57%	0.57	63%	0.629	S	S	*	*			trans	-114.2	126	169.2	0	0	0	0	0	112	G257	A255-G257 VanDerWaalsContact C-N 3.34Å; A255-G257 PolarHBondContact O-N 3.22Å
256	K	33.5	Very low	33.3	Very low	207 Å²	207	116.3 Å²	116.3	90%	0.9	63%	0.625	S	S	*	*			trans	-88.5	60.2	-179.6	-72.9	-174.4	175.9	178.8	0	112.3
257	G	32	Very low	34.2	Very low	26 Å²	26	109.5 Å²	109.5	27%	0.268	60%	0.598	S	S	.	*			trans	-63.9	145.5	178.4	0	0	0	0	0	114.1	A255	A255-G257 VanDerWaalsContact C-N 3.34Å; A255-G257 PolarHBondContact O-N 3.22Å
258	R	35.2	Very low	35	Very low	198 Å²	198	109.1 Å²	109.1	75%	0.747	60%	0.597	S	S	*	*			trans	-71.3	144.2	168.8	-67.7	178.3	-177.5	-178.6	0.8	110.4	F6	F6-R258 HydrophobicContact CD1-CB 4.19Å; F6-R258 WeakPolarHBondContact CD1-O 3.43Å; F6-R258 HydrophobicContact CE1-CB 3.51Å; F6-R258 WeakPolarHBondContact CG-O 3.19Å; F6-R258 HydrophobicContact CZ-CB 3.77Å
259	V	34.5	Very low	36.1	Very low	88 Å²	88	103.2 Å²	103.2	53%	0.533	57%	0.574	S	S	.	*			trans	-132.5	141.7	-175	-175.5	0	0	0	0	110.4	T7 K261	T7-V259 VanDerWaalsContact OG1-CG1 3.32Å; T7-V259 WeakPolarHBondContact OG1-CG1 3.38Å; V259-K261 HydrophobicContact CG1-CG 4.1Å
260	I	35.3	Very low	37.1	Very low	36 Å²	36	101.4 Å²	101.4	19%	0.185	56%	0.558	C	S	.	*			trans	-122.2	7.8	179.3	-12.7	172.7	0	0	0	114.3	F6 T7 K503	F6-I260 HydrophobicContact CD1-CD1 4.19Å; F6-I260 HydrophobicContact CD1-CG1 4.02Å; T7-I260 WeakPolarHBondContact O-CB 3.27Å; T7-I260 WeakPolarHBondContact O-CD1 3.44Å; T7-I260 WeakPolarHBondContact O-CG1 3.49Å; I260-K503 HydrophobicContact CG2-CD 3.82Å
261	K	34	Very low	38.2	Very low	160 Å²	160	100.8 Å²	100.8	70%	0.696	55%	0.55	S	S	*	*			trans	53.5	110.1	167.7	-64.5	-174.6	177.2	-178.3	0	117.5	T7 V8 R9 V259	T7-K261 WeakPolarHBondContact OG1-CA 3.33Å; T7-K261 PolarHBondContact OG1-N 2.7Å; V8-K261 CarbonylContact C-O 3.57Å; R9-K261 WeakPolarHBondContact CA-O 3.49Å; R9-K261 WeakPolarHBondContact CB-O 3.29Å; R9-K261 VanDerWaalsContact CG-O 3.3Å; R9-K261 WeakPolarHBondContact CG-O 3.49Å; R9-K261 PolarHBondContact N-O 3.1Å; V259-K261 HydrophobicContact CG1-CG 4.1Å
262	I	36.7	Very low	39.7	Very low	47 Å²	47	100.1 Å²	100.1	24%	0.241	54%	0.542	C	S	.	.			trans	-71.2	142.7	173.3	-82.1	-90.3	0	0	0	112.3	T7 V8 V264 T482 I483	T7-I262 HydrophobicContact CG2-CB 3.9Å; T7-I262 HydrophobicContact CG2-CG1 3.53Å; V8-I262 VanDerWaalsContact O-CA 3.27Å; V8-I262 WeakPolarHBondContact O-CA 3.33Å; V8-I262 WeakPolarHBondContact O-CD1 3.48Å; V8-I262 VanDerWaalsContact O-CG1 3.24Å; V8-I262 WeakPolarHBondContact O-CG1 3.44Å; I262-V264 HydrophobicContact CD1-CG2 4.36Å; I262-V264 HydrophobicContact CG2-CG2 4.25Å; I262-T482 WeakPolarHBondContact CB-O 3.43Å; I262-T482 VanDerWaalsContact CG1-O 3.32Å; I262-T482 WeakPolarHBondContact CG1-O 3.24Å; I262-I483 HydrophobicContact CD1-CG1 4.22Å; I262-I483 HydrophobicContact CD1-CG2 4.36Å; I262-I483 HydrophobicContact CG2-CG2 4.4Å
263	S	34	Very low	41.6	Very low	35 Å²	35	94.9 Å²	94.9	25%	0.245	51%	0.508	C	S	.	.	B	Isolated β-bridge	trans	-135.2	137.4	139.4	48.1	0	0	0	0	109.4	R9 Y10	R9-S263 PolarHBondContact NE-OG 3.25Å; Y10-S263 CarbonylContact C-O 3.38Å; Y10-S263 PolarHBondContact N-O 2.63Å; Y10-S263 CarbonylContact O-C 3.53Å; Y10-S263 WeakPolarHBondContact O-CB 3.33Å; Y10-S263 PolarHBondContact O-OG 2.58Å
264	V	39.1	Very low	43.9	Very low	27 Å²	27	85 Å²	85	16%	0.164	47%	0.466	C	S	.	.			trans	-130.6	132.2	168.4	169.7	0	0	0	0	106.9	I262 S266 I483 N484 V549	I262-V264 HydrophobicContact CD1-CG2 4.36Å; I262-V264 HydrophobicContact CG2-CG2 4.25Å; V264-S266 PolarHBondContact O-N 3.18Å; V264-I483 HydrophobicContact CG2-CG2 3.92Å; V264-N484 PolarHBondContact N-OD1 2.85Å; V264-N484 PolarHBondContact O-ND2 3.29Å; V264-N484 PolarHBondContact O-OD1 3.36Å; V264-V549 HydrophobicContact CG1-CB 4.24Å; V264-V549 HydrophobicContact CG2-CG2 4.42Å
265	A	41	Very low	46.5	Very low	45 Å²	45	80.9 Å²	80.9	37%	0.372	42%	0.424	S	S	.	.			trans	-75	123.7	171.7	0	0	0	0	0	109.5	L12 I267	L12-A265 HydrophobicContact CB-CB 3.81Å; L12-A265 HydrophobicContact CD1-CB 4.04Å; A265-I267 PolarHBondContact O-N 2.89Å
266	S	43.9	Very low	49	Very low	86 Å²	86	80 Å²	80	60%	0.601	41%	0.406	S	S	*	.			trans	-79.3	118.5	172.1	-168.6	0	0	0	0	109.5	V264 C268	V264-S266 PolarHBondContact O-N 3.18Å; S266-C268 PolarHBondContact OG-SG 3.03Å
267	I	48.5	Very low	51.2	Low	49 Å²	49	71.4 Å²	71.4	25%	0.251	37%	0.374	S	S	.	.			trans	-107.2	91.2	176.1	-54.4	179.4	0	0	0	107.7	A265 R272 P274	A265-I267 PolarHBondContact O-N 2.89Å; I267-R272 HydrophobicContact CG2-CB 4.03Å; I267-R272 WeakPolarHBondContact CG2-O 3.03Å; I267-P274 HydrophobicContact CD1-CG 4Å
268	C	48.5	Very low	53.6	Low	117 Å²	117	70.3 Å²	70.3	79%	0.791	36%	0.362	S	S	*	.			trans	-80.6	-16.2	-173.8	-54.6	0	0	0	0	113.7	S266	S266-C268 PolarHBondContact OG-SG 3.03Å
269	D	53.4	Low	55.9	Low	62 Å²	62	61 Å²	61	33%	0.332	33%	0.327	S	S	.	.			trans	-90.3	129.2	-179.9	-176.7	-13.2	0	0	0	109.8	D271 R272 S273	D269-D271 PolarHBondContact OD1-N 3.33Å; D269-R272 HydrophobicContact CB-CB 4.07Å; D269-R272 HydrophobicContact CB-CG 4.01Å; D269-R272 PolarHBondContact O-N 2.89Å; D269-R272 WeakPolarHBondContact OD2-CD 3.12Å; D269-R272 WeakPolarHBondContact OD2-CG 3.36Å; D269-R272 IonicContact OD2-CZ 3.89Å; D269-R272 IonicContact OD2-NE 3.15Å; D269-R272 PolarHBondContact OD2-NE 2.98Å; D269-R272 IonicContact OD2-NH2 3.34Å; D269-S273 PolarHBondContact O-N 3.18Å
270	K	52.2	Low	58.2	Low	133 Å²	133	60.8 Å²	60.8	58%	0.578	32%	0.318	S	S	*	.	S	Bend	trans	-65	-45.7	-178.6	-64.1	-179.9	-170.4	170.6	0	110.9	R272 S273 Y276	K270-R272 PolarHBondContact O-N 3Å; K270-S273 WeakPolarHBondContact O-CB 3.12Å; K270-S273 PolarHBondContact O-N 3.35Å; K270-Y276 WeakPolarHBondContact O-CD1 3.47Å
271	D	54.1	Low	60.3	Low	114 Å²	114	64.8 Å²	64.8	61%	0.61	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.8	-174.6	-64.5	-66.1	0	0	0	112.4	D269 Y276	D269-D271 PolarHBondContact OD1-N 3.33Å; D271-Y276 VanDerWaalsContact OD1-CE1 3.24Å; D271-Y276 WeakPolarHBondContact OD1-CE1 3.38Å
272	R	60.7	Low	62.5	Low	180 Å²	180	57.2 Å²	57.2	68%	0.679	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-3.7	168.1	-56.9	179.4	-154.1	-150.5	-4.5	114	I267 D269 K270 P274	I267-R272 HydrophobicContact CG2-CB 4.03Å; I267-R272 WeakPolarHBondContact CG2-O 3.03Å; D269-R272 HydrophobicContact CB-CB 4.07Å; D269-R272 HydrophobicContact CB-CG 4.01Å; D269-R272 PolarHBondContact O-N 2.89Å; D269-R272 WeakPolarHBondContact OD2-CD 3.12Å; D269-R272 WeakPolarHBondContact OD2-CG 3.36Å; D269-R272 IonicContact OD2-CZ 3.89Å; D269-R272 IonicContact OD2-NE 3.15Å; D269-R272 PolarHBondContact OD2-NE 2.98Å; D269-R272 IonicContact OD2-NH2 3.34Å; K270-R272 PolarHBondContact O-N 3Å; R272-P274 VanDerWaalsContact O-CD 3.24Å; R272-P274 WeakPolarHBondContact O-CD 3.11Å
273	S	71.5	Confident	64.5	Low	14 Å²	14	56 Å²	56	10%	0.098	30%	0.296	C	S	.	.			trans	-74.7	118.4	-178.1	-176	0	0	0	0	110.1	D269 K270 L275 Y276 A277 H548	D269-S273 PolarHBondContact O-N 3.18Å; K270-S273 WeakPolarHBondContact O-CB 3.12Å; K270-S273 PolarHBondContact O-N 3.35Å; S273-L275 PolarHBondContact O-N 2.82Å; S273-L275 VanDerWaalsContact O-N 3.14Å; S273-Y276 PolarHBondContact O-N 2.89Å; S273-A277 PolarHBondContact O-N 3.49Å; S273-H548 PolarHBondContact OG-CE1 3.04Å; S273-H548 PolarHBondContact OG-NE2 2.71Å
274	P	76.7	Confident	66.6	Low	6 Å²	6	59.7 Å²	59.7	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-53.2	-37.5	179.6	-32.7	39.4	0	0	0	113.9	I267 R272 Y276 A277 T278 E545 C546	I267-P274 HydrophobicContact CD1-CG 4Å; R272-P274 VanDerWaalsContact O-CD 3.24Å; R272-P274 WeakPolarHBondContact O-CD 3.11Å; P274-Y276 VanDerWaalsContact C-N 3.35Å; P274-Y276 PolarHBondContact O-N 3.03Å; P274-A277 PolarHBondContact O-N 2.9Å; P274-T278 WeakPolarHBondContact O-CB 3.31Å; P274-T278 PolarHBondContact O-N 3.29Å; P274-T278 PolarHBondContact O-OG1 3.25Å; P274-E545 HydrophobicContact CB-CB 3.7Å; P274-E545 WeakPolarHBondContact CB-O 3.22Å; P274-E545 HydrophobicContact CG-CB 3.95Å; P274-E545 WeakPolarHBondContact CG-O 3.41Å; P274-C546 HydrophobicContact CB-CB 4.23Å; P274-C546 PolarHBondContact O-SG 3.19Å
275	L	82.4	Confident	68.3	Low	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-43.3	179	179.5	59.9	0	0	0	111.2	S273 L279 L338 F345 W354 F365	S273-L275 PolarHBondContact O-N 2.82Å; S273-L275 VanDerWaalsContact O-N 3.14Å; L275-L279 HydrophobicContact CD1-CD1 3.67Å; L275-L279 HydrophobicContact CD1-CG 4.27Å; L275-L279 HydrophobicContact CG-CD1 3.98Å; L275-L279 VanDerWaalsContact O-CB 3.29Å; L275-L279 WeakPolarHBondContact O-CB 3.15Å; L275-L279 VanDerWaalsContact O-CG 3.29Å; L275-L279 WeakPolarHBondContact O-CG 3.49Å; L275-L279 PolarHBondContact O-N 3.21Å; L275-L338 HydrophobicContact CD1-CD1 4.31Å; L275-L338 HydrophobicContact CD1-CD2 3.91Å; L275-F345 HydrophobicContact CD2-CZ 4.32Å; L275-W354 HydrophobicContact CD2-CZ3 4.26Å; L275-F365 HydrophobicContact CD1-CB 4.42Å; L275-F365 HydrophobicContact CD1-CD1 3.52Å; L275-F365 HydrophobicContact CD1-CE1 4.01Å; L275-F365 HydrophobicContact CD1-CG 4.04Å; L275-F365 HydrophobicContact CD2-CD1 3.84Å; L275-F365 HydrophobicContact CD2-CD2 4.03Å; L275-F365 HydrophobicContact CD2-CE1 3.79Å; L275-F365 HydrophobicContact CD2-CE2 3.98Å; L275-F365 HydrophobicContact CD2-CG 3.99Å; L275-F365 HydrophobicContact CD2-CZ 3.87Å; L275-F365 HydrophobicContact CG-CD1 4.35Å
276	Y	81.4	Confident	69.8	Low	50 Å²	50	59.1 Å²	59.1	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-69.9	-47.3	174.4	170	-111.7	0	0	0	111.6	K270 D271 S273 P274 T278 L279 K280 Y352	K270-Y276 WeakPolarHBondContact O-CD1 3.47Å; D271-Y276 VanDerWaalsContact OD1-CE1 3.24Å; D271-Y276 WeakPolarHBondContact OD1-CE1 3.38Å; S273-Y276 PolarHBondContact O-N 2.89Å; P274-Y276 VanDerWaalsContact C-N 3.35Å; P274-Y276 PolarHBondContact O-N 3.03Å; Y276-T278 PolarHBondContact O-N 2.98Å; Y276-L279 PolarHBondContact O-N 3.02Å; Y276-K280 HydrophobicContact CE1-CD 4.49Å; Y276-K280 WeakPolarHBondContact O-CB 3.28Å; Y276-K280 PolarHBondContact O-N 3.26Å; Y276-Y352 AromaticContact CD2-CD1 3.9Å; Y276-Y352 HydrophobicContact CD2-CD1 3.9Å; Y276-Y352 HydrophobicContact CD2-CD2 4.05Å; Y276-Y352 AromaticContact CD2-CG 3.57Å; Y276-Y352 HydrophobicContact CD2-CG 3.57Å; Y276-Y352 HydrophobicContact CE2-CG 4.17Å
277	A	79.9	Confident	70.8	Confident	27 Å²	27	58.5 Å²	58.5	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-30	178.3	0	0	0	0	0	113.2	S273 P274 K281	S273-A277 PolarHBondContact O-N 3.49Å; P274-A277 PolarHBondContact O-N 2.9Å; A277-K281 WeakPolarHBondContact O-CE 3.33Å
278	T	83.1	Confident	71.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-80.4	-49.2	175.7	-58.9	0	0	0	0	111.6	P274 Y276 K280 K281 F336 C546	P274-T278 WeakPolarHBondContact O-CB 3.31Å; P274-T278 PolarHBondContact O-N 3.29Å; P274-T278 PolarHBondContact O-OG1 3.25Å; Y276-T278 PolarHBondContact O-N 2.98Å; T278-K280 PolarHBondContact O-N 3.11Å; T278-K281 PolarHBondContact O-N 2.8Å; T278-F336 HydrophobicContact CG2-CD1 4.09Å; T278-F336 HydrophobicContact CG2-CD2 3.85Å; T278-F336 HydrophobicContact CG2-CE1 3.86Å; T278-F336 HydrophobicContact CG2-CE2 3.63Å; T278-F336 HydrophobicContact CG2-CG 4.07Å; T278-F336 HydrophobicContact CG2-CZ 3.62Å; T278-C546 PolarHBondContact OG1-SG 3.17Å
279	L	84.1	Confident	71.6	Confident	3 Å²	3	66 Å²	66	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-35	179.7	-75.3	168.8	0	0	0	112.8	L275 Y276 K281 V282 L283 V327 L338 F345 P346 Y352	L275-L279 HydrophobicContact CD1-CD1 3.67Å; L275-L279 HydrophobicContact CD1-CG 4.27Å; L275-L279 HydrophobicContact CG-CD1 3.98Å; L275-L279 VanDerWaalsContact O-CB 3.29Å; L275-L279 WeakPolarHBondContact O-CB 3.15Å; L275-L279 VanDerWaalsContact O-CG 3.29Å; L275-L279 WeakPolarHBondContact O-CG 3.49Å; L275-L279 PolarHBondContact O-N 3.21Å; Y276-L279 PolarHBondContact O-N 3.02Å; L279-K281 PolarHBondContact O-N 3.47Å; L279-V282 WeakPolarHBondContact O-CA 3.3Å; L279-V282 PolarHBondContact O-N 3.33Å; L279-L283 HydrophobicContact CB-CD1 4.47Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 2.89Å; L279-V327 HydrophobicContact CD2-CB 4.44Å; L279-V327 HydrophobicContact CD2-CG2 3.78Å; L279-L338 HydrophobicContact CD1-CD2 4.43Å; L279-L338 HydrophobicContact CD2-CD2 3.72Å; L279-L338 HydrophobicContact CG-CD2 3.96Å; L279-F345 HydrophobicContact CD1-CE1 3.76Å; L279-F345 HydrophobicContact CD1-CZ 3.52Å; L279-P346 HydrophobicContact CD2-CB 4.47Å; L279-P346 HydrophobicContact CD2-CG 4.23Å; L279-Y352 HydrophobicContact CD1-CD2 4.34Å; L279-Y352 HydrophobicContact CD1-CE2 3.78Å
280	K	82.3	Confident	71.3	Confident	83 Å²	83	67.9 Å²	67.9	36%	0.361	34%	0.335	S	S	.	.	H	α-helix	trans	-54.3	-39.8	177.4	-179.8	172.6	177.1	179.5	0	112.1	Y276 T278 V282 L283 D284	Y276-K280 HydrophobicContact CE1-CD 4.49Å; Y276-K280 WeakPolarHBondContact O-CB 3.28Å; Y276-K280 PolarHBondContact O-N 3.26Å; T278-K280 PolarHBondContact O-N 3.11Å; K280-V282 PolarHBondContact O-N 3Å; K280-L283 PolarHBondContact O-N 3.47Å; K280-D284 WeakPolarHBondContact CE-OD2 3.36Å; K280-D284 WeakPolarHBondContact CG-OD1 3.34Å; K280-D284 VanDerWaalsContact CG-OD2 3.24Å; K280-D284 WeakPolarHBondContact CG-OD2 3.26Å; K280-D284 VanDerWaalsContact O-CB 3.3Å; K280-D284 WeakPolarHBondContact O-CB 3.23Å; K280-D284 VanDerWaalsContact O-CG 3.22Å; K280-D284 PolarHBondContact O-N 3.12Å
281	K	79.2	Confident	71.2	Confident	120 Å²	120	65.1 Å²	65.1	52%	0.522	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-19.1	176	-62.6	168.9	-175.1	172.3	0	113.9	A277 T278 L279	A277-K281 WeakPolarHBondContact O-CE 3.33Å; T278-K281 PolarHBondContact O-N 2.8Å; L279-K281 PolarHBondContact O-N 3.47Å
282	V	80.3	Confident	70.7	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.012	33%	0.328	C	S	.	.	H	α-helix	trans	-101.2	-43.3	174.2	-178.3	0	0	0	0	111	L279 K280 D284 V285 L286 Y305 I307 V327 A329 F336	L279-V282 WeakPolarHBondContact O-CA 3.3Å; L279-V282 PolarHBondContact O-N 3.33Å; K280-V282 PolarHBondContact O-N 3Å; V282-D284 VanDerWaalsContact C-N 3.28Å; V282-D284 PolarHBondContact O-N 3.38Å; V282-V285 VanDerWaalsContact O-CG2 3.23Å; V282-V285 WeakPolarHBondContact O-CG2 3.34Å; V282-V285 PolarHBondContact O-N 2.99Å; V282-V285 VanDerWaalsContact O-N 3.09Å; V282-L286 PolarHBondContact O-N 2.95Å; V282-Y305 HydrophobicContact CG1-CD1 4.37Å; V282-Y305 HydrophobicContact CG1-CG 4.14Å; V282-I307 HydrophobicContact CG1-CD1 4.06Å; V282-V327 HydrophobicContact CG1-CG1 4.4Å; V282-V327 HydrophobicContact CG2-CG1 4.1Å; V282-A329 HydrophobicContact CG2-CB 3.41Å; V282-A329 VanDerWaalsContact CG2-CB 3.41Å; V282-F336 HydrophobicContact CG2-CE1 3.81Å; V282-F336 HydrophobicContact CG2-CZ 3.49Å; V282-F336 VanDerWaalsContact CG2-CZ 3.49Å
283	L	79.3	Confident	70	Confident	20 Å²	20	64.3 Å²	64.3	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-38.8	178.2	-64.5	176.5	0	0	0	112.3	L279 K280 V285 L286 Y352	L279-L283 HydrophobicContact CB-CD1 4.47Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 2.89Å; K280-L283 PolarHBondContact O-N 3.47Å; L283-V285 PolarHBondContact O-N 3.3Å; L283-L286 HydrophobicContact CB-CD1 4.49Å; L283-L286 HydrophobicContact CD2-CD1 3.65Å; L283-L286 PolarHBondContact O-N 3.34Å; L283-Y352 HydrophobicContact CD1-CD2 4.24Å
284	D	77.2	Confident	68.5	Low	113 Å²	113	73.4 Å²	73.4	60%	0.604	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-15.7	178.8	-68.6	-5.5	0	0	0	113.2	K280 V282	K280-D284 WeakPolarHBondContact CE-OD2 3.36Å; K280-D284 WeakPolarHBondContact CG-OD1 3.34Å; K280-D284 VanDerWaalsContact CG-OD2 3.24Å; K280-D284 WeakPolarHBondContact CG-OD2 3.26Å; K280-D284 VanDerWaalsContact O-CB 3.3Å; K280-D284 WeakPolarHBondContact O-CB 3.23Å; K280-D284 VanDerWaalsContact O-CG 3.22Å; K280-D284 PolarHBondContact O-N 3.12Å; V282-D284 VanDerWaalsContact C-N 3.28Å; V282-D284 PolarHBondContact O-N 3.38Å
285	V	74.4	Confident	67.2	Low	39 Å²	39	82.2 Å²	82.2	24%	0.236	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	7.2	176.5	-59	0	0	0	0	114	V282 L283 I303 Y305	V282-V285 VanDerWaalsContact O-CG2 3.23Å; V282-V285 WeakPolarHBondContact O-CG2 3.34Å; V282-V285 PolarHBondContact O-N 2.99Å; V282-V285 VanDerWaalsContact O-N 3.09Å; L283-V285 PolarHBondContact O-N 3.3Å; V285-I303 HydrophobicContact CG1-CD1 4.23Å; V285-I303 HydrophobicContact CG2-CB 4.31Å; V285-I303 HydrophobicContact CG2-CD1 4.49Å; V285-I303 HydrophobicContact CG2-CG2 4.33Å; V285-Y305 HydrophobicContact CG2-CD1 4.43Å
286	L	73.3	Confident	65.6	Low	21 Å²	21	90 Å²	90	11%	0.11	45%	0.45	C	S	.	.	S	Bend	trans	-67	147.2	168.4	-66.2	173.7	0	0	0	110.4	V282 L283 Y305 I348	V282-L286 PolarHBondContact O-N 2.95Å; L283-L286 HydrophobicContact CB-CD1 4.49Å; L283-L286 HydrophobicContact CD2-CD1 3.65Å; L283-L286 PolarHBondContact O-N 3.34Å; L286-Y305 HydrophobicContact CD2-CE1 4.13Å; L286-Y305 HydrophobicContact CD2-CE2 3.86Å; L286-Y305 WeakPolarHBondContact CD2-OH 3.21Å; L286-I348 HydrophobicContact CD1-CG2 3.55Å; L286-I348 HydrophobicContact CD2-CG2 4.26Å; L286-I348 HydrophobicContact CG-CG2 4.45Å
287	P	65	Low	64.1	Low	73 Å²	73	96.2 Å²	96.2	47%	0.474	48%	0.478	S	S	.	.			trans	-58.3	147.6	169.2	25.6	-33.5	0	0	0	111.1	E289 Y305	P287-E289 PolarHBondContact O-N 3.19Å; P287-Y305 WeakPolarHBondContact CD-OH 3.34Å
288	K	57	Low	62.8	Low	167 Å²	167	102.7 Å²	102.7	73%	0.726	50%	0.504	S	S	*	.	S	Bend	trans	-75.4	-12.8	-177.7	-69	178.5	179.8	174.6	0	113.8	K350	K288-K350 WeakPolarHBondContact O-CE 3.41Å; K288-K350 PolarHBondContact O-NZ 3.05Å; K288-K350 VanDerWaalsContact O-NZ 3.07Å
289	E	55.6	Low	61.5	Low	156 Å²	156	104.1 Å²	104.1	73%	0.729	51%	0.512	S	S	*	.	S	Bend	trans	-102.9	168.1	178.8	-74.5	116.8	-131.4	0	0	111.8	P287	P287-E289 PolarHBondContact O-N 3.19Å
290	S	47.8	Very low	60	Low	102 Å²	102	109.6 Å²	109.6	71%	0.713	56%	0.557	S	S	*	*			trans	-64.3	156.3	-172.6	-164.2	0	0	0	0	113.8	E292	S290-E292 PolarHBondContact O-N 2.84Å
291	L	51	Low	59	Low	76 Å²	76	108.3 Å²	108.3	40%	0.398	57%	0.568	S	S	.	*			trans	-75.2	69.3	171.2	-76.1	169.3	0	0	0	111.7	I348 Y390 A391	L291-I348 HydrophobicContact CD1-CB 3.79Å; L291-I348 HydrophobicContact CD1-CG1 3.73Å; L291-I348 HydrophobicContact CD1-CG2 3.65Å; L291-I348 HydrophobicContact CG-CG2 4.21Å; L291-Y390 WeakPolarHBondContact CD1-O 3.28Å; L291-A391 HydrophobicContact CD1-CB 3.8Å; L291-A391 HydrophobicContact CD2-CB 3.93Å
292	E	43	Very low	58.9	Low	135 Å²	135	104.9 Å²	104.9	63%	0.631	57%	0.566	S	S	*	*			trans	-91.6	146.7	157.6	-67.1	-169.6	179.9	0	0	110	S290 R294	S290-E292 PolarHBondContact O-N 2.84Å; E292-R294 PolarHBondContact O-N 2.79Å
293	C	44.9	Very low	59	Low	142 Å²	142	106.8 Å²	106.8	96%	0.959	58%	0.576	S	S	*	*			trans	-77.9	52.5	-169.5	-65.2	0	0	0	0	113.5
294	R	41.5	Very low	59.4	Low	205 Å²	205	105.9 Å²	105.9	77%	0.774	57%	0.572	S	S	*	*			trans	-115.4	102.2	-171.5	-67.7	-172.8	179.2	-173.4	2.5	113.9	E292	E292-R294 PolarHBondContact O-N 2.79Å
295	Q	48.8	Very low	60	Low	190 Å²	190	100.7 Å²	100.7	89%	0.888	54%	0.544	S	S	*	.			trans	68.4	157.2	157.2	-58.9	-172.7	-3.4	0	0	119.1	K297	Q295-K297 PolarHBondContact O-N 3.26Å; Q295-K297 VanDerWaalsContact O-N 3.11Å
296	Q	49.1	Very low	60.8	Low	164 Å²	164	98.9 Å²	98.9	77%	0.766	53%	0.532	S	S	*	.			trans	-86.2	68.3	-169.6	-57.8	-175.9	29.7	0	0	112.8	Q298	Q296-Q298 PolarHBondContact O-N 3.22Å
297	K	49.5	Very low	61.6	Low	181 Å²	181	98 Å²	98	79%	0.787	53%	0.528	S	S	*	.			trans	-70.7	113.1	162	-89.5	-179.4	176	172.4	0	109.2	Q295 N299	Q295-K297 PolarHBondContact O-N 3.26Å; Q295-K297 VanDerWaalsContact O-N 3.11Å; K297-N299 PolarHBondContact O-N 2.88Å
298	Q	51.7	Low	62.8	Low	162 Å²	162	94.5 Å²	94.5	76%	0.757	51%	0.505	S	S	*	.			trans	-60.9	133.4	163.4	-62.2	-172.1	19.6	0	0	108.3	Q296 A300	Q296-Q298 PolarHBondContact O-N 3.22Å; Q298-A300 PolarHBondContact O-N 3.4Å
299	N	56.9	Low	64.5	Low	33 Å²	33	86.6 Å²	86.6	18%	0.176	47%	0.471	C	S	.	.			trans	-64.9	125.6	177.1	-71.6	-9.1	0	0	0	109.8	K297 G301 G302 I303 Y305 S393	K297-N299 PolarHBondContact O-N 2.88Å; N299-G301 PolarHBondContact O-N 2.83Å; N299-G302 PolarHBondContact O-N 2.86Å; N299-I303 PolarHBondContact ND2-O 2.81Å; N299-Y305 WeakPolarHBondContact ND2-CE1 3.49Å; N299-S393 VanDerWaalsContact ND2-CB 3.3Å; N299-S393 WeakPolarHBondContact ND2-CB 3.5Å; N299-S393 PolarHBondContact ND2-OG 3.17Å; N299-S393 WeakPolarHBondContact OD1-CB 3.27Å; N299-S393 PolarHBondContact OD1-OG 3.22Å
300	A	52.8	Low	66	Low	117 Å²	117	79.6 Å²	79.6	97%	0.967	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.4	179.4	0	0	0	0	0	114.1	Q298	Q298-A300 PolarHBondContact O-N 3.4Å
301	G	61.1	Low	68	Low	57 Å²	57	78.3 Å²	78.3	59%	0.588	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	5.1	173.3	0	0	0	0	0	115.8	N299 I303	N299-G301 PolarHBondContact O-N 2.83Å; G301-I303 PolarHBondContact O-N 3.48Å
302	G	77.3	Confident	69.8	Low	48 Å²	48	76.4 Å²	76.4	50%	0.495	41%	0.411	S	S	.	.			trans	69.9	-2.4	178.3	0	0	0	0	0	116.3	N299	N299-G302 PolarHBondContact O-N 2.86Å
303	I	82.5	Confident	71.9	Confident	41 Å²	41	71.2 Å²	71.2	21%	0.21	39%	0.389	C	S	.	.			trans	-83.3	118.3	179.1	-58.5	-175.7	0	0	0	110.2	V285 N299 G301 A329 N331	V285-I303 HydrophobicContact CG1-CD1 4.23Å; V285-I303 HydrophobicContact CG2-CB 4.31Å; V285-I303 HydrophobicContact CG2-CD1 4.49Å; V285-I303 HydrophobicContact CG2-CG2 4.33Å; N299-I303 PolarHBondContact ND2-O 2.81Å; G301-I303 PolarHBondContact O-N 3.48Å; I303-A329 HydrophobicContact CG2-CB 4.27Å; I303-N331 HydrophobicContact CG1-CB 4.2Å
304	S	87.4	Confident	73.6	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.014	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	144.2	164.6	-51.5	0	0	0	0	109.5	A329 F330 S393 G395 T396	S304-A329 CarbonylContact O-C 3.52Å; S304-A329 WeakPolarHBondContact O-CA 3.47Å; S304-F330 PolarHBondContact N-O 3.05Å; S304-F330 PolarHBondContact O-N 3.27Å; S304-S393 CarbonylContact C-O 3.51Å; S304-S393 VanDerWaalsContact CA-O 3.28Å; S304-S393 WeakPolarHBondContact CA-O 3.31Å; S304-S393 WeakPolarHBondContact CB-O 3.17Å; S304-G395 WeakPolarHBondContact OG-CA 3.28Å; S304-G395 PolarHBondContact OG-N 3.26Å; S304-T396 PolarHBondContact OG-N 3.08Å
305	Y	88.9	Confident	75.6	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.016	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.3	176.6	65.3	-104.4	0	0	0	113	V282 V285 L286 P287 N299 I307 V328 A391 S392 S393	V282-Y305 HydrophobicContact CG1-CD1 4.37Å; V282-Y305 HydrophobicContact CG1-CG 4.14Å; V285-Y305 HydrophobicContact CG2-CD1 4.43Å; L286-Y305 HydrophobicContact CD2-CE1 4.13Å; L286-Y305 HydrophobicContact CD2-CE2 3.86Å; L286-Y305 WeakPolarHBondContact CD2-OH 3.21Å; P287-Y305 WeakPolarHBondContact CD-OH 3.34Å; N299-Y305 WeakPolarHBondContact ND2-CE1 3.49Å; Y305-I307 HydrophobicContact CD2-CD1 4.37Å; Y305-I307 HydrophobicContact CD2-CG1 4.2Å; Y305-V328 CarbonylContact C-O 3.48Å; Y305-V328 WeakPolarHBondContact CA-O 3.29Å; Y305-V328 WeakPolarHBondContact CB-O 3.3Å; Y305-A391 HydrophobicContact CE2-CB 4.36Å; Y305-S392 VanDerWaalsContact CE2-C 3.45Å; Y305-S392 CarbonylContact O-C 3.58Å; Y305-S392 WeakPolarHBondContact O-CA 3.26Å; Y305-S392 WeakPolarHBondContact O-CB 3.27Å; Y305-S393 PolarHBondContact N-O 3.25Å; Y305-S393 PolarHBondContact O-N 2.98Å
306	V	90.8	Very high	76.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.7	169.8	171.1	0	0	0	0	108.5	F308 V327 V328 I389 F394 L399 L402	V306-F308 HydrophobicContact CG1-CD1 4.27Å; V306-V327 WeakPolarHBondContact O-CA 3.18Å; V306-V328 PolarHBondContact N-O 3.34Å; V306-V328 PolarHBondContact O-N 3.25Å; V306-I389 HydrophobicContact CG1-CB 4.42Å; V306-I389 HydrophobicContact CG1-CD1 3.77Å; V306-I389 HydrophobicContact CG1-CG1 3.67Å; V306-I389 HydrophobicContact CG1-CG2 3.92Å; V306-F394 HydrophobicContact CG2-CE1 3.62Å; V306-F394 HydrophobicContact CG2-CZ 4.11Å; V306-L399 HydrophobicContact CB-CD2 4.27Å; V306-L399 HydrophobicContact CG2-CB 4.06Å; V306-L399 HydrophobicContact CG2-CD1 4.39Å; V306-L399 HydrophobicContact CG2-CD2 3.81Å; V306-L399 HydrophobicContact CG2-CG 4.3Å; V306-L402 HydrophobicContact CB-CD2 4.48Å; V306-L402 HydrophobicContact CG1-CD2 4.09Å; V306-L402 HydrophobicContact CG2-CD2 4.44Å
307	I	91.6	Very high	78.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.4	178.4	-52.9	-179.2	0	0	0	108.1	V282 Y305 V327 P346 I348 I389 Y390 A391	V282-I307 HydrophobicContact CG1-CD1 4.06Å; Y305-I307 HydrophobicContact CD2-CD1 4.37Å; Y305-I307 HydrophobicContact CD2-CG1 4.2Å; I307-V327 HydrophobicContact CG1-CG1 4.22Å; I307-V327 HydrophobicContact CG1-CG2 4.14Å; I307-V327 HydrophobicContact CG2-CG2 4.02Å; I307-P346 HydrophobicContact CG2-CG 3.92Å; I307-I348 HydrophobicContact CD1-CD1 3.64Å; I307-I348 HydrophobicContact CG2-CD1 4.32Å; I307-I389 WeakPolarHBondContact O-CA 3.35Å; I307-Y390 HydrophobicContact CG2-CE1 3.9Å; I307-Y390 HydrophobicContact CG2-CE2 3.99Å; I307-Y390 WeakPolarHBondContact CG2-OH 3.25Å; I307-Y390 PolarHBondContact O-N 3.06Å; I307-A391 HydrophobicContact CB-CB 4.15Å; I307-A391 HydrophobicContact CD1-CB 4.22Å; I307-A391 HydrophobicContact CG1-CB 4.43Å; I307-A391 PolarHBondContact N-O 3.27Å; I307-A391 PolarHBondContact O-N 3.4Å
308	F	90.7	Very high	79.8	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.8	-171.3	63.8	-82.3	0	0	0	112.5	V306 S324 K325 G326 V328 F337 L382 P387 L388 I389	V306-F308 HydrophobicContact CG1-CD1 4.27Å; F308-S324 WeakPolarHBondContact CD2-O 2.92Å; F308-K325 CarbonylContact O-C 3.53Å; F308-K325 WeakPolarHBondContact O-CA 3.32Å; F308-G326 WeakPolarHBondContact CD1-O 3.39Å; F308-G326 PolarHBondContact N-O 2.93Å; F308-G326 PolarHBondContact O-N 2.92Å; F308-V328 HydrophobicContact CE1-CG2 4.44Å; F308-F337 HydrophobicContact CE1-CE2 4.25Å; F308-F337 AromaticContact CZ-CE2 3.91Å; F308-F337 HydrophobicContact CZ-CE2 3.91Å; F308-F337 HydrophobicContact CZ-CZ 4.4Å; F308-L382 HydrophobicContact CD1-CD2 4.43Å; F308-L382 HydrophobicContact CE1-CD2 3.75Å; F308-L382 HydrophobicContact CE2-CD1 4.02Å; F308-L382 HydrophobicContact CE2-CD2 4.32Å; F308-L382 HydrophobicContact CZ-CD1 3.94Å; F308-L382 HydrophobicContact CZ-CD2 3.68Å; F308-L382 HydrophobicContact CZ-CG 4.4Å; F308-P387 HydrophobicContact CB-CB 3.92Å; F308-P387 HydrophobicContact CD2-CB 3.58Å; F308-P387 HydrophobicContact CE2-CB 4.3Å; F308-P387 HydrophobicContact CG-CB 3.87Å; F308-L388 WeakPolarHBondContact CA-O 3.15Å; F308-L388 WeakPolarHBondContact CB-O 3.24Å; F308-I389 HydrophobicContact CB-CG1 4.04Å
309	N	91.6	Very high	81.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	33%	0.333	C	S	.	.			trans	-161.2	129.5	177.7	-163.2	-39.6	0	0	0	108.1	Q311 K325 A342 G344 F345 L388 Y390	N309-Q311 PolarHBondContact O-N 3.28Å; N309-Q311 VanDerWaalsContact O-N 3.12Å; N309-Q311 PolarHBondContact OD1-N 3.13Å; N309-Q311 PolarHBondContact OD1-O 2.84Å; N309-K325 HydrophobicContact CB-CB 4.41Å; N309-K325 HydrophobicContact CB-CG 4.42Å; N309-K325 VanDerWaalsContact OD1-CD 3.28Å; N309-K325 WeakPolarHBondContact OD1-CD 3.42Å; N309-K325 VanDerWaalsContact OD1-CE 3.23Å; N309-K325 WeakPolarHBondContact OD1-CE 3.18Å; N309-K325 WeakPolarHBondContact OD1-CG 3.5Å; N309-A342 PolarHBondContact ND2-O 2.9Å; N309-G344 PolarHBondContact ND2-N 3.26Å; N309-F345 PolarHBondContact ND2-N 2.84Å; N309-F345 PolarHBondContact ND2-O 2.85Å; N309-L388 PolarHBondContact N-O 2.87Å; N309-L388 VanDerWaalsContact N-O 3.08Å; N309-Y390 HydrophobicContact CB-CE1 3.7Å
310	D	88.1	Confident	82.2	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.048	34%	0.34	C	S	.	.	S	Bend	trans	-58.8	-18.8	173.3	45.9	-82.4	0	0	0	113.7	A319 T320 G322 S323 S324 K325	D310-A319 CarbonylContact O-C 3.53Å; D310-A319 VanDerWaalsContact O-CA 3.28Å; D310-A319 WeakPolarHBondContact O-CA 3.48Å; D310-T320 WeakPolarHBondContact CB-OG1 3.23Å; D310-T320 PolarHBondContact O-N 3.41Å; D310-G322 VanDerWaalsContact CB-O 3.24Å; D310-G322 WeakPolarHBondContact CB-O 3.47Å; D310-S323 VanDerWaalsContact OD1-CA 3.27Å; D310-S323 WeakPolarHBondContact OD1-CA 3.32Å; D310-S324 PolarHBondContact OD1-N 3.06Å; D310-K325 VanDerWaalsContact OD1-CE 3.31Å; D310-K325 WeakPolarHBondContact OD1-CE 3.48Å; D310-K325 WeakPolarHBondContact OD1-CG 3.39Å; D310-K325 IonicContact OD1-NZ 3.7Å; D310-K325 PolarHBondContact OD1-NZ 3.04Å; D310-K325 VanDerWaalsContact OD2-CE 3.27Å; D310-K325 WeakPolarHBondContact OD2-CE 3.38Å; D310-K325 IonicContact OD2-NZ 2.72Å; D310-K325 PolarHBondContact OD2-NZ 2.76Å
311	Q	89.2	Confident	83.2	Confident	75 Å²	75	50.4 Å²	50.4	35%	0.35	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-120.8	116	171.5	-65.7	-176.5	11.9	0	0	110.5	N309 A319 P343 G344	N309-Q311 PolarHBondContact O-N 3.28Å; N309-Q311 VanDerWaalsContact O-N 3.12Å; N309-Q311 PolarHBondContact OD1-N 3.13Å; N309-Q311 PolarHBondContact OD1-O 2.84Å; Q311-A319 HydrophobicContact CG-CB 3.63Å; Q311-P343 HydrophobicContact CB-CB 3.85Å; Q311-P343 HydrophobicContact CG-CB 4.29Å; Q311-G344 WeakPolarHBondContact O-CA 3.25Å; Q311-G344 PolarHBondContact O-N 3Å
312	L	88.7	Confident	83.9	Confident	36 Å²	36	48.2 Å²	48.2	19%	0.188	30%	0.301	C	S	.	.			trans	-74.1	138.9	-173.9	-64.6	-174.1	0	0	0	112.7	T314 S315 L388 Y390	L312-T314 PolarHBondContact O-N 2.85Å; L312-T314 VanDerWaalsContact O-N 3.13Å; L312-S315 PolarHBondContact O-N 2.91Å; L312-L388 HydrophobicContact CD1-CD2 4.12Å; L312-L388 HydrophobicContact CD2-CD2 3.56Å; L312-L388 HydrophobicContact CD2-CG 3.9Å; L312-L388 HydrophobicContact CG-CD2 3.69Å; L312-Y390 HydrophobicContact CD2-CD1 3.57Å; L312-Y390 HydrophobicContact CD2-CE1 4.37Å; L312-Y390 HydrophobicContact CD2-CG 3.68Å
313	P	86	Confident	84	Confident	27 Å²	27	46.3 Å²	46.3	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26	172.3	-18.9	26.9	0	0	0	114.1	G344 P346 K347 Y390	P313-G344 WeakPolarHBondContact CA-O 3.01Å; P313-G344 WeakPolarHBondContact CB-O 3.45Å; P313-P346 VanDerWaalsContact CG-O 3.25Å; P313-P346 WeakPolarHBondContact CG-O 2.97Å; P313-K347 HydrophobicContact CB-CB 4.07Å; P313-K347 HydrophobicContact CB-CG 4.28Å; P313-Y390 HydrophobicContact CG-CE2 3.75Å
314	T	81.6	Confident	84	Confident	112 Å²	112	44.5 Å²	44.5	69%	0.687	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.9	-175.9	48.6	0	0	0	0	113.9	L312	L312-T314 PolarHBondContact O-N 2.85Å; L312-T314 VanDerWaalsContact O-N 3.13Å
315	S	83.3	Confident	84.1	Confident	44 Å²	44	45.3 Å²	45.3	31%	0.308	28%	0.275	S	S	.	.	S	Bend	trans	-137.7	64.7	-176.5	-48.9	0	0	0	0	111.5	L312 G317 F318	L312-S315 PolarHBondContact O-N 2.91Å; S315-G317 PolarHBondContact O-N 2.95Å; S315-F318 PolarHBondContact O-N 3.04Å; S315-F318 VanDerWaalsContact O-N 3.15Å
316	P	77.2	Confident	84.3	Confident	111 Å²	111	45.1 Å²	45.1	72%	0.721	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	138.6	179.2	-22.9	34.4	0	0	0	112	F318	P316-F318 VanDerWaalsContact C-N 3.31Å; P316-F318 PolarHBondContact O-N 3.16Å
317	G	76	Confident	84.3	Confident	82 Å²	82	45.1 Å²	45.1	85%	0.845	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-22.2	-176.4	0	0	0	0	0	114.5	S315	S315-G317 PolarHBondContact O-N 2.95Å
318	F	81.8	Confident	84.2	Confident	158 Å²	158	45.1 Å²	45.1	69%	0.693	27%	0.274	S	S	*	.			trans	-85.6	127.9	170.9	-68.3	-86.5	0	0	0	110.8	S315 P316	S315-F318 PolarHBondContact O-N 3.04Å; S315-F318 VanDerWaalsContact O-N 3.15Å; P316-F318 VanDerWaalsContact C-N 3.31Å; P316-F318 PolarHBondContact O-N 3.16Å
319	A	81.1	Confident	84.2	Confident	60 Å²	60	45.3 Å²	45.3	50%	0.496	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-133.1	141	176.8	0	0	0	0	0	109.8	D310 Q311	D310-A319 CarbonylContact O-C 3.53Å; D310-A319 VanDerWaalsContact O-CA 3.28Å; D310-A319 WeakPolarHBondContact O-CA 3.48Å; Q311-A319 HydrophobicContact CG-CB 3.63Å
320	T	79	Confident	84	Confident	53 Å²	53	45.4 Å²	45.4	33%	0.325	28%	0.276	S	S	.	.			trans	-84	173	167.5	72.3	0	0	0	0	111.6	D310 G322 L388	D310-T320 WeakPolarHBondContact CB-OG1 3.23Å; D310-T320 PolarHBondContact O-N 3.41Å; T320-G322 PolarHBondContact O-N 2.96Å; T320-G322 PolarHBondContact OG1-N 3.02Å; T320-G322 VanDerWaalsContact OG1-N 3.16Å; T320-L388 HydrophobicContact CG2-CB 3.99Å; T320-L388 HydrophobicContact CG2-CD2 3.59Å; T320-L388 HydrophobicContact CG2-CG 4.3Å
321	H	73.1	Confident	83.9	Confident	137 Å²	137	49.4 Å²	49.4	63%	0.634	30%	0.297	S	S	*	.	S	Bend	trans	-77.6	9.4	169.8	-59.2	-76.3	0	0	0	113.5	L522	H321-L522 HydrophobicContact CB-CD2 3.84Å; H321-L522 WeakPolarHBondContact O-CD2 3.19Å
322	G	75.1	Confident	83.6	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-86.1	167.4	166.8	0	0	0	0	0	111.6	D310 T320	D310-G322 VanDerWaalsContact CB-O 3.24Å; D310-G322 WeakPolarHBondContact CB-O 3.47Å; T320-G322 PolarHBondContact O-N 2.96Å; T320-G322 PolarHBondContact OG1-N 3.02Å; T320-G322 VanDerWaalsContact OG1-N 3.16Å
323	S	80.4	Confident	83.4	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.063	33%	0.327	C	S	.	.			trans	-129.7	0.8	168.9	58.7	0	0	0	0	113.7	D310 K325 S510 N524	D310-S323 VanDerWaalsContact OD1-CA 3.27Å; D310-S323 WeakPolarHBondContact OD1-CA 3.32Å; S323-K325 PolarHBondContact O-NZ 3.27Å; S323-S510 WeakPolarHBondContact O-CB 3.2Å; S323-S510 VanDerWaalsContact OG-CB 3.26Å; S323-S510 WeakPolarHBondContact OG-CB 3.34Å; S323-S510 PolarHBondContact OG-OG 3.36Å; S323-N524 WeakPolarHBondContact CB-OD1 3.07Å; S323-N524 PolarHBondContact OG-OD1 3.31Å
324	S	82.9	Confident	83.4	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.014	35%	0.346	C	S	.	.			trans	-79.6	128.2	-177.1	61.6	0	0	0	0	112.6	F308 D310 S385	F308-S324 WeakPolarHBondContact CD2-O 2.92Å; D310-S324 PolarHBondContact OD1-N 3.06Å; S324-S385 WeakPolarHBondContact CB-OG 3.23Å; S324-S385 PolarHBondContact OG-OG 3.21Å
325	K	89.6	Confident	83.6	Confident	19 Å²	19	55.9 Å²	55.9	8%	0.083	32%	0.322	C	S	.	.			trans	-138	135.2	-179.4	-44.1	173.3	170.6	54.6	0	111.1	F308 N309 D310 S323 T339 H340 A342	F308-K325 CarbonylContact O-C 3.53Å; F308-K325 WeakPolarHBondContact O-CA 3.32Å; N309-K325 HydrophobicContact CB-CB 4.41Å; N309-K325 HydrophobicContact CB-CG 4.42Å; N309-K325 VanDerWaalsContact OD1-CD 3.28Å; N309-K325 WeakPolarHBondContact OD1-CD 3.42Å; N309-K325 VanDerWaalsContact OD1-CE 3.23Å; N309-K325 WeakPolarHBondContact OD1-CE 3.18Å; N309-K325 WeakPolarHBondContact OD1-CG 3.5Å; D310-K325 VanDerWaalsContact OD1-CE 3.31Å; D310-K325 WeakPolarHBondContact OD1-CE 3.48Å; D310-K325 WeakPolarHBondContact OD1-CG 3.39Å; D310-K325 IonicContact OD1-NZ 3.7Å; D310-K325 PolarHBondContact OD1-NZ 3.04Å; D310-K325 VanDerWaalsContact OD2-CE 3.27Å; D310-K325 WeakPolarHBondContact OD2-CE 3.38Å; D310-K325 IonicContact OD2-NZ 2.72Å; D310-K325 PolarHBondContact OD2-NZ 2.76Å; S323-K325 PolarHBondContact O-NZ 3.27Å; K325-T339 WeakPolarHBondContact O-CA 2.99Å; K325-T339 PolarHBondContact O-OG1 3.17Å; K325-H340 PolarHBondContact O-N 2.94Å; K325-H340 VanDerWaalsContact O-N 3.15Å; K325-A342 WeakPolarHBondContact CD-O 3.02Å
326	G	91.5	Very high	83.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-175.9	179.1	0	0	0	0	0	116.9	F308 L338	F308-G326 WeakPolarHBondContact CD1-O 3.39Å; F308-G326 PolarHBondContact N-O 2.93Å; F308-G326 PolarHBondContact O-N 2.92Å; G326-L338 CarbonylContact C-O 3.49Å; G326-L338 WeakPolarHBondContact CA-O 3.49Å
327	V	91.1	Very high	84.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.2	176.4	176.2	0	0	0	0	108.3	L279 V282 V306 I307 F336 L338 P346	L279-V327 HydrophobicContact CD2-CB 4.44Å; L279-V327 HydrophobicContact CD2-CG2 3.78Å; V282-V327 HydrophobicContact CG1-CG1 4.4Å; V282-V327 HydrophobicContact CG2-CG1 4.1Å; V306-V327 WeakPolarHBondContact O-CA 3.18Å; I307-V327 HydrophobicContact CG1-CG1 4.22Å; I307-V327 HydrophobicContact CG1-CG2 4.14Å; I307-V327 HydrophobicContact CG2-CG2 4.02Å; V327-F336 HydrophobicContact CB-CE2 4.27Å; V327-F336 HydrophobicContact CG1-CE2 3.84Å; V327-F336 HydrophobicContact CG1-CZ 4.06Å; V327-L338 HydrophobicContact CB-CB 4.35Å; V327-L338 HydrophobicContact CB-CD2 4.5Å; V327-L338 PolarHBondContact N-O 3.34Å; V327-L338 PolarHBondContact O-N 2.81Å; V327-P346 HydrophobicContact CG2-CG 3.87Å
328	V	90.5	Very high	84.8	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.8	165.3	-177.3	0	0	0	0	107.9	Y305 V306 F308 F336 F337 L375 L399	Y305-V328 CarbonylContact C-O 3.48Å; Y305-V328 WeakPolarHBondContact CA-O 3.29Å; Y305-V328 WeakPolarHBondContact CB-O 3.3Å; V306-V328 PolarHBondContact N-O 3.34Å; V306-V328 PolarHBondContact O-N 3.25Å; F308-V328 HydrophobicContact CE1-CG2 4.44Å; V328-F336 WeakPolarHBondContact CA-O 3.34Å; V328-F337 HydrophobicContact CG2-CB 4.44Å; V328-F337 HydrophobicContact CG2-CD2 3.56Å; V328-F337 HydrophobicContact CG2-CE2 4.11Å; V328-F337 HydrophobicContact CG2-CG 4.19Å; V328-L375 HydrophobicContact CG1-CD1 3.48Å; V328-L375 VanDerWaalsContact CG1-CD1 3.48Å; V328-L399 HydrophobicContact CB-CD2 4.38Å; V328-L399 HydrophobicContact CG1-CD2 3.99Å
329	A	89.4	Confident	85.1	Confident	5 Å²	5	38.1 Å²	38.1	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.8	173.5	0	0	0	0	0	111	V282 I303 S304 G335 F336	V282-A329 HydrophobicContact CG2-CB 3.41Å; V282-A329 VanDerWaalsContact CG2-CB 3.41Å; I303-A329 HydrophobicContact CG2-CB 4.27Å; S304-A329 CarbonylContact O-C 3.52Å; S304-A329 WeakPolarHBondContact O-CA 3.47Å; A329-G335 CarbonylContact O-C 3.51Å; A329-G335 WeakPolarHBondContact O-CA 3.01Å; A329-F336 HydrophobicContact CB-CD1 4.39Å; A329-F336 HydrophobicContact CB-CE1 3.95Å; A329-F336 HydrophobicContact CB-CZ 4.14Å; A329-F336 PolarHBondContact N-O 3.12Å; A329-F336 PolarHBondContact O-N 3.15Å
330	F	88.3	Confident	85.4	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	135.6	-169.3	-172.1	-101.7	0	0	0	112.3	S304 G332 R334 V370 E372 L375 T396	S304-F330 PolarHBondContact N-O 3.05Å; S304-F330 PolarHBondContact O-N 3.27Å; F330-G332 VanDerWaalsContact CD1-N 3.28Å; F330-G332 VanDerWaalsContact CE1-C 3.4Å; F330-R334 VanDerWaalsContact CD2-C 3.4Å; F330-R334 WeakPolarHBondContact CD2-O 3.41Å; F330-V370 HydrophobicContact CD2-CG2 4.35Å; F330-E372 HydrophobicContact CZ-CB 3.93Å; F330-E372 HydrophobicContact CZ-CG 4.44Å; F330-L375 HydrophobicContact CB-CD2 3.93Å; F330-L375 HydrophobicContact CD1-CD2 3.64Å; F330-L375 HydrophobicContact CD2-CD2 3.88Å; F330-L375 HydrophobicContact CE1-CD2 4.03Å; F330-L375 HydrophobicContact CE2-CD2 4.28Å; F330-L375 HydrophobicContact CG-CD2 3.56Å; F330-L375 HydrophobicContact CZ-CD2 4.35Å; F330-T396 HydrophobicContact CD1-CG2 3.79Å; F330-T396 HydrophobicContact CE1-CG2 4.01Å
331	N	85.2	Confident	85.8	Confident	93 Å²	93	34 Å²	34	50%	0.497	17%	0.174	S	C	.	.			trans	-103.5	18.8	-172.9	77.2	-3.7	0	0	0	115	I303 K333 R334	I303-N331 HydrophobicContact CG1-CB 4.2Å; N331-K333 VanDerWaalsContact C-N 3.32Å; N331-K333 PolarHBondContact O-N 2.98Å; N331-K333 PolarHBondContact OD1-N 3.22Å; N331-R334 PolarHBondContact N-O 3.31Å; N331-R334 PolarHBondContact OD1-N 3.31Å; N331-R334 PolarHBondContact OD1-O 2.84Å
332	G	83.8	Confident	86.6	Confident	38 Å²	38	27.5 Å²	27.5	39%	0.392	14%	0.144	S	C	.	.	S	Bend	trans	87.4	-11.9	-174	0	0	0	0	0	114.7	F330	F330-G332 VanDerWaalsContact CD1-N 3.28Å; F330-G332 VanDerWaalsContact CE1-C 3.4Å
333	K	85.2	Confident	87.2	Confident	175 Å²	175	28.1 Å²	28.1	76%	0.761	15%	0.146	S	C	*	.	S	Bend	trans	-132.2	-43.5	174.9	-63.4	-173.6	-179.8	-177.2	0	113.5	N331	N331-K333 VanDerWaalsContact C-N 3.32Å; N331-K333 PolarHBondContact O-N 2.98Å; N331-K333 PolarHBondContact OD1-N 3.22Å
334	R	86	Confident	87.6	Confident	156 Å²	156	28.1 Å²	28.1	59%	0.589	15%	0.148	S	C	*	.			trans	-139.2	160.6	177.8	-71.7	-169.2	-75	-163.1	-2.7	110.5	F330 N331 V370	F330-R334 VanDerWaalsContact CD2-C 3.4Å; F330-R334 WeakPolarHBondContact CD2-O 3.41Å; N331-R334 PolarHBondContact N-O 3.31Å; N331-R334 PolarHBondContact OD1-N 3.31Å; N331-R334 PolarHBondContact OD1-O 2.84Å; R334-V370 WeakPolarHBondContact CA-O 3.25Å
335	G	84.4	Confident	87.9	Confident	17 Å²	17	28 Å²	28	18%	0.175	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	-165.5	178.5	0	0	0	0	0	112	A329 V370	A329-G335 CarbonylContact O-C 3.51Å; A329-G335 WeakPolarHBondContact O-CA 3.01Å; G335-V370 PolarHBondContact N-O 2.99Å; G335-V370 PolarHBondContact O-N 3.08Å
336	F	86.3	Confident	87.9	Confident	18 Å²	18	27.3 Å²	27.3	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.3	167.4	69.9	-96.2	0	0	0	112.2	T278 V282 V327 V328 A329 L338 L368	T278-F336 HydrophobicContact CG2-CD1 4.09Å; T278-F336 HydrophobicContact CG2-CD2 3.85Å; T278-F336 HydrophobicContact CG2-CE1 3.86Å; T278-F336 HydrophobicContact CG2-CE2 3.63Å; T278-F336 HydrophobicContact CG2-CG 4.07Å; T278-F336 HydrophobicContact CG2-CZ 3.62Å; V282-F336 HydrophobicContact CG2-CE1 3.81Å; V282-F336 HydrophobicContact CG2-CZ 3.49Å; V282-F336 VanDerWaalsContact CG2-CZ 3.49Å; V327-F336 HydrophobicContact CB-CE2 4.27Å; V327-F336 HydrophobicContact CG1-CE2 3.84Å; V327-F336 HydrophobicContact CG1-CZ 4.06Å; V328-F336 WeakPolarHBondContact CA-O 3.34Å; A329-F336 HydrophobicContact CB-CD1 4.39Å; A329-F336 HydrophobicContact CB-CE1 3.95Å; A329-F336 HydrophobicContact CB-CZ 4.14Å; A329-F336 PolarHBondContact N-O 3.12Å; A329-F336 PolarHBondContact O-N 3.15Å; F336-L338 HydrophobicContact CD2-CB 3.9Å; F336-L338 HydrophobicContact CE2-CB 3.84Å; F336-L368 CarbonylContact C-O 3.55Å; F336-L368 WeakPolarHBondContact CA-O 3.3Å
337	F	86.9	Confident	87.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.7	161.9	176	-151.6	0	0	0	108.7	F308 V328 C367 L368 V370 I378 F428 Y525	F308-F337 HydrophobicContact CE1-CE2 4.25Å; F308-F337 AromaticContact CZ-CE2 3.91Å; F308-F337 HydrophobicContact CZ-CE2 3.91Å; F308-F337 HydrophobicContact CZ-CZ 4.4Å; V328-F337 HydrophobicContact CG2-CB 4.44Å; V328-F337 HydrophobicContact CG2-CD2 3.56Å; V328-F337 HydrophobicContact CG2-CE2 4.11Å; V328-F337 HydrophobicContact CG2-CG 4.19Å; F337-C367 CarbonylContact O-C 3.5Å; F337-C367 WeakPolarHBondContact O-CA 3.37Å; F337-L368 HydrophobicContact CD1-CD1 4.43Å; F337-L368 PolarHBondContact N-O 2.99Å; F337-L368 PolarHBondContact O-N 3.4Å; F337-V370 HydrophobicContact CB-CG1 3.95Å; F337-I378 HydrophobicContact CB-CD1 4.1Å; F337-I378 HydrophobicContact CD1-CD1 3.72Å; F337-I378 HydrophobicContact CD1-CG1 4.13Å; F337-I378 HydrophobicContact CD1-CG2 3.79Å; F337-I378 HydrophobicContact CE1-CG2 3.8Å; F337-I378 HydrophobicContact CG-CD1 4.28Å; F337-I378 HydrophobicContact CG-CG2 4.28Å; F337-I378 HydrophobicContact CZ-CG2 4.35Å; F337-F428 AromaticContact CD1-CE1 3.76Å; F337-F428 HydrophobicContact CD1-CE1 3.76Å; F337-F428 HydrophobicContact CD1-CZ 4.23Å; F337-F428 HydrophobicContact CE1-CD1 4.22Å; F337-F428 AromaticContact CE1-CE1 3.65Å; F337-F428 HydrophobicContact CE1-CE1 3.65Å; F337-Y525 VanDerWaalsContact CE1-OH 3.25Å; F337-Y525 WeakPolarHBondContact CE1-OH 3.41Å
338	L	88.6	Confident	87.2	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.1	174.3	172.4	67.9	0	0	0	108.4	L275 L279 G326 V327 F336 F365 V366 C367	L275-L338 HydrophobicContact CD1-CD1 4.31Å; L275-L338 HydrophobicContact CD1-CD2 3.91Å; L279-L338 HydrophobicContact CD1-CD2 4.43Å; L279-L338 HydrophobicContact CD2-CD2 3.72Å; L279-L338 HydrophobicContact CG-CD2 3.96Å; G326-L338 CarbonylContact C-O 3.49Å; G326-L338 WeakPolarHBondContact CA-O 3.49Å; V327-L338 HydrophobicContact CB-CB 4.35Å; V327-L338 HydrophobicContact CB-CD2 4.5Å; V327-L338 PolarHBondContact N-O 3.34Å; V327-L338 PolarHBondContact O-N 2.81Å; F336-L338 HydrophobicContact CD2-CB 3.9Å; F336-L338 HydrophobicContact CE2-CB 3.84Å; L338-F365 HydrophobicContact CD1-CB 4.32Å; L338-V366 WeakPolarHBondContact CA-O 3.46Å; L338-C367 HydrophobicContact CD1-CB 4.31Å
339	T	88	Confident	86.4	Confident	4 Å²	4	34.3 Å²	34.3	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.4	174.6	-177.6	0	0	0	0	110.3	K325 V366 L508 Y525 L527	K325-T339 WeakPolarHBondContact O-CA 2.99Å; K325-T339 PolarHBondContact O-OG1 3.17Å; T339-V366 HydrophobicContact CG2-CB 4.31Å; T339-V366 PolarHBondContact N-O 3.39Å; T339-V366 PolarHBondContact O-N 3.45Å; T339-L508 HydrophobicContact CG2-CD2 3.9Å; T339-Y525 HydrophobicContact CG2-CE1 4.41Å; T339-L527 HydrophobicContact CG2-CB 4.33Å; T339-L527 HydrophobicContact CG2-CD2 3.4Å
340	H	88.6	Confident	85.3	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.032	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165.2	-172.9	54.4	75.7	0	0	0	115.3	K325 A342 F345 L364 F365	K325-H340 PolarHBondContact O-N 2.94Å; K325-H340 VanDerWaalsContact O-N 3.15Å; H340-A342 PolarHBondContact CE1-O 2.84Å; H340-A342 PolarHBondContact ND1-N 3.09Å; H340-A342 PolarHBondContact ND1-O 3.11Å; H340-F345 AromaticContact CE1-CD1 3.93Å; H340-F345 PolarHBondContact CE1-O 2.86Å; H340-F345 AromaticContact NE2-CD1 3.88Å; H340-L364 WeakPolarHBondContact CA-O 3.2Å; H340-L364 WeakPolarHBondContact CB-O 3.4Å; H340-F365 HydrophobicContact CB-CD1 3.33Å; H340-F365 HydrophobicContact CB-CE1 3.46Å; H340-F365 VanDerWaalsContact CB-CE1 3.46Å; H340-F365 HydrophobicContact CB-CG 4.03Å; H340-F365 HydrophobicContact CB-CZ 4.27Å; H340-F365 AromaticContact CG-CD1 3.94Å; H340-F365 AromaticContact CG-CE1 3.73Å
341	S	87.4	Confident	84.6	Confident	21 Å²	21	50 Å²	50	15%	0.147	25%	0.252	C	S	.	.	S	Bend	trans	-97.5	10.6	173.2	69.9	0	0	0	0	114.7	P343 H363 L364 A495	S341-P343 VanDerWaalsContact O-CD 3.27Å; S341-P343 WeakPolarHBondContact O-CD 3.45Å; S341-H363 PolarHBondContact O-ND1 3.32Å; S341-H363 WeakPolarHBondContact OG-CA 3.39Å; S341-L364 PolarHBondContact N-O 3.43Å; S341-L364 VanDerWaalsContact N-O 3.1Å; S341-L364 PolarHBondContact OG-N 3.25Å; S341-L364 VanDerWaalsContact OG-N 3.08Å; S341-A495 WeakPolarHBondContact OG-CB 3.17Å
342	A	88.7	Confident	84.4	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.			trans	-85.7	110	179.2	0	0	0	0	0	112.4	N309 K325 H340 F345 L358 H363 F365	N309-A342 PolarHBondContact ND2-O 2.9Å; K325-A342 WeakPolarHBondContact CD-O 3.02Å; H340-A342 PolarHBondContact CE1-O 2.84Å; H340-A342 PolarHBondContact ND1-N 3.09Å; H340-A342 PolarHBondContact ND1-O 3.11Å; A342-F345 HydrophobicContact CB-CB 4.01Å; A342-F345 HydrophobicContact CB-CD1 4.26Å; A342-F345 HydrophobicContact CB-CG 4.26Å; A342-L358 HydrophobicContact CB-CD1 4.15Å; A342-H363 HydrophobicContact CB-CB 4.26Å; A342-F365 HydrophobicContact CB-CE1 4.16Å; A342-F365 HydrophobicContact CB-CZ 3.7Å
343	P	87.8	Confident	84.3	Confident	22 Å²	22	50.5 Å²	50.5	14%	0.143	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	160.8	168.8	29	-34.3	0	0	0	111.6	Q311 S341 F345 L358	Q311-P343 HydrophobicContact CB-CB 3.85Å; Q311-P343 HydrophobicContact CG-CB 4.29Å; S341-P343 VanDerWaalsContact O-CD 3.27Å; S341-P343 WeakPolarHBondContact O-CD 3.45Å; P343-F345 PolarHBondContact O-N 3.25Å; P343-F345 VanDerWaalsContact O-N 3.14Å; P343-L358 HydrophobicContact CG-CD2 3.84Å; P343-L358 WeakPolarHBondContact O-CD2 3.48Å
344	G	88.6	Confident	84.2	Confident	10 Å²	10	43 Å²	43	10%	0.103	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	23.3	174.4	0	0	0	0	0	114.7	N309 Q311 P313	N309-G344 PolarHBondContact ND2-N 3.26Å; Q311-G344 WeakPolarHBondContact O-CA 3.25Å; Q311-G344 PolarHBondContact O-N 3Å; P313-G344 WeakPolarHBondContact CA-O 3.01Å; P313-G344 WeakPolarHBondContact CB-O 3.45Å
345	F	90	Very high	84	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.			trans	-144.5	146.8	-169.2	-178.2	-87.8	0	0	0	112	L275 L279 N309 H340 A342 P343 Y352 W354 L358 F365 Y390	L275-F345 HydrophobicContact CD2-CZ 4.32Å; L279-F345 HydrophobicContact CD1-CE1 3.76Å; L279-F345 HydrophobicContact CD1-CZ 3.52Å; N309-F345 PolarHBondContact ND2-N 2.84Å; N309-F345 PolarHBondContact ND2-O 2.85Å; H340-F345 AromaticContact CE1-CD1 3.93Å; H340-F345 PolarHBondContact CE1-O 2.86Å; H340-F345 AromaticContact NE2-CD1 3.88Å; A342-F345 HydrophobicContact CB-CB 4.01Å; A342-F345 HydrophobicContact CB-CD1 4.26Å; A342-F345 HydrophobicContact CB-CG 4.26Å; P343-F345 PolarHBondContact O-N 3.25Å; P343-F345 VanDerWaalsContact O-N 3.14Å; F345-Y352 HydrophobicContact CE2-CE2 4.08Å; F345-Y352 AromaticContact CZ-CE2 3.92Å; F345-Y352 HydrophobicContact CZ-CE2 3.92Å; F345-W354 HydrophobicContact CD2-CE3 4.36Å; F345-W354 AromaticContact CE2-CE3 3.86Å; F345-W354 HydrophobicContact CE2-CE3 3.86Å; F345-W354 HydrophobicContact CE2-CZ3 4.17Å; F345-W354 HydrophobicContact CZ-CE3 4.39Å; F345-W354 HydrophobicContact CZ-CZ3 4.39Å; F345-L358 HydrophobicContact CB-CD1 4.09Å; F345-L358 HydrophobicContact CD2-CD1 4.41Å; F345-F365 AromaticContact CD1-CE1 3.97Å; F345-F365 HydrophobicContact CD1-CE1 3.97Å; F345-F365 HydrophobicContact CD1-CZ 4.48Å; F345-F365 AromaticContact CE1-CE1 3.6Å; F345-F365 HydrophobicContact CE1-CE1 3.6Å; F345-F365 HydrophobicContact CE1-CZ 4.25Å; F345-F365 HydrophobicContact CZ-CE1 4.35Å; F345-Y390 PolarHBondContact O-OH 3.23Å
346	P	89.8	Confident	84	Confident	3 Å²	3	42 Å²	42	2%	0.019	21%	0.21	C	C	.	.	S	Bend	cis	-75.4	144.7	-10.1	31.4	-35.6	0	0	0	112.1	L279 I307 P313 V327 Y390	L279-P346 HydrophobicContact CD2-CB 4.47Å; L279-P346 HydrophobicContact CD2-CG 4.23Å; I307-P346 HydrophobicContact CG2-CG 3.92Å; P313-P346 VanDerWaalsContact CG-O 3.25Å; P313-P346 WeakPolarHBondContact CG-O 2.97Å; V327-P346 HydrophobicContact CG2-CG 3.87Å; P346-Y390 WeakPolarHBondContact CD-OH 3.5Å; P346-Y390 PolarHBondContact O-OH 3.4Å
347	K	86.8	Confident	83.7	Confident	81 Å²	81	46.5 Å²	46.5	35%	0.352	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-67.9	135.8	167.4	-171.6	-167.3	-179.6	-167.4	0	109.2	P313 E353	P313-K347 HydrophobicContact CB-CB 4.07Å; P313-K347 HydrophobicContact CB-CG 4.28Å; K347-E353 HydrophobicContact CD-CB 4.34Å; K347-E353 WeakPolarHBondContact CD-OE2 3.32Å; K347-E353 IonicContact NZ-OE1 2.7Å; K347-E353 PolarHBondContact NZ-OE1 2.86Å; K347-E353 IonicContact NZ-OE2 2.72Å; K347-E353 PolarHBondContact NZ-OE2 2.99Å
348	I	81.3	Confident	83.5	Confident	38 Å²	38	46.6 Å²	46.6	20%	0.195	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-87.8	129	178.7	-50.9	-53.2	0	0	0	108.7	L286 L291 I307 Y390 A391	L286-I348 HydrophobicContact CD1-CG2 3.55Å; L286-I348 HydrophobicContact CD2-CG2 4.26Å; L286-I348 HydrophobicContact CG-CG2 4.45Å; L291-I348 HydrophobicContact CD1-CB 3.79Å; L291-I348 HydrophobicContact CD1-CG1 3.73Å; L291-I348 HydrophobicContact CD1-CG2 3.65Å; L291-I348 HydrophobicContact CG-CG2 4.21Å; I307-I348 HydrophobicContact CD1-CD1 3.64Å; I307-I348 HydrophobicContact CG2-CD1 4.32Å; I348-Y390 HydrophobicContact CD1-CE2 3.84Å; I348-Y390 HydrophobicContact CG1-CD2 4.04Å; I348-Y390 HydrophobicContact CG1-CE2 3.67Å; I348-A391 HydrophobicContact CD1-CB 4Å; I348-A391 HydrophobicContact CG1-CB 4Å
349	G	74.1	Confident	83.2	Confident	31 Å²	31	48.5 Å²	48.5	32%	0.32	24%	0.244	S	C	.	.	S	Bend	trans	166.1	175.9	179.7	0	0	0	0	0	112.4	K351	G349-K351 PolarHBondContact O-N 2.87Å
350	K	64.7	Low	82.7	Confident	172 Å²	172	58.7 Å²	58.7	75%	0.748	28%	0.281	S	S	*	.	S	Bend	trans	-71.2	1.9	-174.2	-61.8	173.1	-177.8	167.7	0	114.6	K288	K288-K350 WeakPolarHBondContact O-CE 3.41Å; K288-K350 PolarHBondContact O-NZ 3.05Å; K288-K350 VanDerWaalsContact O-NZ 3.07Å
351	K	74.7	Confident	82.2	Confident	164 Å²	164	61.6 Å²	61.6	71%	0.713	30%	0.295	S	S	*	.	S	Bend	trans	-145	142.6	-178	-66.6	-176.5	-179.6	176.5	0	110	G349 E353	G349-K351 PolarHBondContact O-N 2.87Å; K351-E353 PolarHBondContact O-N 3.35Å
352	Y	79.9	Confident	81.8	Confident	51 Å²	51	61.3 Å²	61.3	20%	0.2	29%	0.294	C	S	.	.			trans	-70.2	117.3	169.1	175	-95.3	0	0	0	110.3	Y276 L279 L283 F345 W354	Y276-Y352 AromaticContact CD2-CD1 3.9Å; Y276-Y352 HydrophobicContact CD2-CD1 3.9Å; Y276-Y352 HydrophobicContact CD2-CD2 4.05Å; Y276-Y352 AromaticContact CD2-CG 3.57Å; Y276-Y352 HydrophobicContact CD2-CG 3.57Å; Y276-Y352 HydrophobicContact CE2-CG 4.17Å; L279-Y352 HydrophobicContact CD1-CD2 4.34Å; L279-Y352 HydrophobicContact CD1-CE2 3.78Å; L283-Y352 HydrophobicContact CD1-CD2 4.24Å; F345-Y352 HydrophobicContact CE2-CE2 4.08Å; F345-Y352 AromaticContact CZ-CE2 3.92Å; F345-Y352 HydrophobicContact CZ-CE2 3.92Å; Y352-W354 HydrophobicContact CE1-CB 4.43Å
353	E	82.3	Confident	81.7	Confident	91 Å²	91	61.4 Å²	61.4	43%	0.425	30%	0.295	S	S	.	.			trans	-113.7	140	174.3	-69.6	177.9	-139.4	0	0	110.2	K347 K351	K347-E353 HydrophobicContact CD-CB 4.34Å; K347-E353 WeakPolarHBondContact CD-OE2 3.32Å; K347-E353 IonicContact NZ-OE1 2.7Å; K347-E353 PolarHBondContact NZ-OE1 2.86Å; K347-E353 IonicContact NZ-OE2 2.72Å; K347-E353 PolarHBondContact NZ-OE2 2.99Å; K351-E353 PolarHBondContact O-N 3.35Å
354	W	84.3	Confident	81.6	Confident	16 Å²	16	61.2 Å²	61.2	6%	0.061	29%	0.292	C	S	.	.			trans	-112.6	109.8	171	175.9	-87.8	0	0	0	108	L275 F345 Y352 D356 L358 T359 F365 T550	L275-W354 HydrophobicContact CD2-CZ3 4.26Å; F345-W354 HydrophobicContact CD2-CE3 4.36Å; F345-W354 AromaticContact CE2-CE3 3.86Å; F345-W354 HydrophobicContact CE2-CE3 3.86Å; F345-W354 HydrophobicContact CE2-CZ3 4.17Å; F345-W354 HydrophobicContact CZ-CE3 4.39Å; F345-W354 HydrophobicContact CZ-CZ3 4.39Å; Y352-W354 HydrophobicContact CE1-CB 4.43Å; W354-D356 PolarHBondContact O-N 2.87Å; W354-L358 HydrophobicContact CH2-CB 4.35Å; W354-L358 HydrophobicContact CZ2-CB 3.65Å; W354-T359 PolarHBondContact NE1-OG1 3.09Å; W354-F365 AromaticContact CH2-CE2 3.89Å; W354-F365 HydrophobicContact CH2-CE2 3.89Å; W354-F365 AromaticContact CH2-CZ 3.82Å; W354-F365 HydrophobicContact CH2-CZ 3.82Å; W354-F365 AromaticContact CZ3-CE2 3.99Å; W354-F365 HydrophobicContact CZ3-CE2 3.99Å; W354-F365 AromaticContact CZ3-CZ 3.62Å; W354-F365 HydrophobicContact CZ3-CZ 3.62Å; W354-T550 HydrophobicContact CH2-CG2 4.1Å; W354-T550 HydrophobicContact CZ2-CG2 4.26Å; W354-T550 HydrophobicContact CZ3-CG2 4.22Å
355	P	81.8	Confident	81.5	Confident	28 Å²	28	60.8 Å²	60.8	18%	0.182	29%	0.287	C	S	.	.			trans	-59.6	126.3	179.7	-24.8	31.4	0	0	0	113.1	H357 L358	P355-H357 VanDerWaalsContact CB-CE1 3.44Å; P355-H357 WeakPolarHBondContact CB-CE1 3.37Å; P355-H357 PolarHBondContact O-N 3.3Å; P355-H357 VanDerWaalsContact O-N 3.14Å; P355-L358 HydrophobicContact CB-CD1 4.06Å; P355-L358 HydrophobicContact CB-CG 4.18Å; P355-L358 HydrophobicContact CG-CD1 3.97Å; P355-L358 WeakPolarHBondContact O-CB 3.18Å; P355-L358 PolarHBondContact O-N 2.98Å
356	D	83.2	Confident	81.2	Confident	126 Å²	126	60.8 Å²	60.8	67%	0.674	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-63.7	-23.7	-173.3	-71.1	-46.3	0	0	0	114.4	W354 L358 T359	W354-D356 PolarHBondContact O-N 2.87Å; D356-L358 VanDerWaalsContact C-N 3.28Å; D356-L358 PolarHBondContact O-N 3.04Å; D356-T359 VanDerWaalsContact O-CB 3.22Å; D356-T359 WeakPolarHBondContact O-CB 3.03Å; D356-T359 PolarHBondContact O-N 3.02Å; D356-T359 VanDerWaalsContact O-N 3.14Å; D356-T359 PolarHBondContact O-OG1 2.91Å
357	H	79.8	Confident	80.8	Confident	111 Å²	111	61.1 Å²	61.1	51%	0.514	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-64.6	-32.5	174.9	66.7	-101.2	0	0	0	112.3	P355 T359 R360	P355-H357 VanDerWaalsContact CB-CE1 3.44Å; P355-H357 WeakPolarHBondContact CB-CE1 3.37Å; P355-H357 PolarHBondContact O-N 3.3Å; P355-H357 VanDerWaalsContact O-N 3.14Å; H357-T359 PolarHBondContact O-N 2.87Å; H357-R360 PolarHBondContact O-N 2.73Å
358	L	83.7	Confident	80.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-70.9	-18.8	175.8	-57.9	176	0	0	0	112.4	A342 P343 F345 W354 P355 D356 R360 Q361 H363	A342-L358 HydrophobicContact CB-CD1 4.15Å; P343-L358 HydrophobicContact CG-CD2 3.84Å; P343-L358 WeakPolarHBondContact O-CD2 3.48Å; F345-L358 HydrophobicContact CB-CD1 4.09Å; F345-L358 HydrophobicContact CD2-CD1 4.41Å; W354-L358 HydrophobicContact CH2-CB 4.35Å; W354-L358 HydrophobicContact CZ2-CB 3.65Å; P355-L358 HydrophobicContact CB-CD1 4.06Å; P355-L358 HydrophobicContact CB-CG 4.18Å; P355-L358 HydrophobicContact CG-CD1 3.97Å; P355-L358 WeakPolarHBondContact O-CB 3.18Å; P355-L358 PolarHBondContact O-N 2.98Å; D356-L358 VanDerWaalsContact C-N 3.28Å; D356-L358 PolarHBondContact O-N 3.04Å; L358-R360 PolarHBondContact O-N 2.64Å; L358-Q361 PolarHBondContact O-N 3.15Å; L358-Q361 VanDerWaalsContact O-O 3.08Å; L358-H363 WeakPolarHBondContact CD2-NE2 3.47Å; L358-H363 PolarHBondContact O-CD2 3.04Å; L358-H363 VanDerWaalsContact O-CD2 3.29Å; L358-H363 PolarHBondContact O-NE2 2.81Å
359	T	81.2	Confident	80.4	Confident	41 Å²	41	58.1 Å²	58.1	25%	0.252	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67.8	-20	176.5	-53.1	0	0	0	0	112.4	W354 D356 H357 R552	W354-T359 PolarHBondContact NE1-OG1 3.09Å; D356-T359 VanDerWaalsContact O-CB 3.22Å; D356-T359 WeakPolarHBondContact O-CB 3.03Å; D356-T359 PolarHBondContact O-N 3.02Å; D356-T359 VanDerWaalsContact O-N 3.14Å; D356-T359 PolarHBondContact O-OG1 2.91Å; H357-T359 PolarHBondContact O-N 2.87Å; T359-R552 HydrophobicContact CG2-CB 3.87Å; T359-R552 WeakPolarHBondContact CG2-O 3.43Å
360	R	77.5	Confident	80.6	Confident	217 Å²	217	56.8 Å²	56.8	82%	0.819	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-85.3	-7	179.9	-58.8	-171.9	-178	-157.4	0.4	114	H357 L358	H357-R360 PolarHBondContact O-N 2.73Å; L358-R360 PolarHBondContact O-N 2.64Å
361	Q	78.3	Confident	81.6	Confident	69 Å²	69	51.7 Å²	51.7	32%	0.322	24%	0.244	S	C	.	.	S	Bend	trans	-128	152.6	-177.1	-65.5	-178	14.2	0	0	110.7	L358 H363	L358-Q361 PolarHBondContact O-N 3.15Å; L358-Q361 VanDerWaalsContact O-O 3.08Å; Q361-H363 PolarHBondContact O-CD2 3.02Å; Q361-H363 PolarHBondContact O-N 2.8Å
362	A	79.2	Confident	82.1	Confident	15 Å²	15	49.3 Å²	49.3	12%	0.124	24%	0.236	C	C	.	.			trans	-80.2	113.7	174.6	0	0	0	0	0	110	W488 G494 A495	A362-W488 HydrophobicContact CB-CD2 4.07Å; A362-W488 HydrophobicContact CB-CE3 3.85Å; A362-W488 HydrophobicContact CB-CH2 3.85Å; A362-W488 HydrophobicContact CB-CZ2 4.05Å; A362-W488 HydrophobicContact CB-CZ3 3.74Å; A362-G494 CarbonylContact O-C 3.56Å; A362-G494 WeakPolarHBondContact O-CA 3.44Å; A362-A495 WeakPolarHBondContact O-CB 3.49Å; A362-A495 PolarHBondContact O-N 3.04Å
363	H	85.7	Confident	82.3	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.009	26%	0.26	C	S	.	.			trans	-107.5	145.5	173.2	-60.3	-75.1	0	0	0	111.9	S341 A342 L358 Q361 F365	S341-H363 PolarHBondContact O-ND1 3.32Å; S341-H363 WeakPolarHBondContact OG-CA 3.39Å; A342-H363 HydrophobicContact CB-CB 4.26Å; L358-H363 WeakPolarHBondContact CD2-NE2 3.47Å; L358-H363 PolarHBondContact O-CD2 3.04Å; L358-H363 VanDerWaalsContact O-CD2 3.29Å; L358-H363 PolarHBondContact O-NE2 2.81Å; Q361-H363 PolarHBondContact O-CD2 3.02Å; Q361-H363 PolarHBondContact O-N 2.8Å; H363-F365 HydrophobicContact CB-CE2 3.84Å; H363-F365 HydrophobicContact CB-CZ 4.32Å
364	L	86.2	Confident	82.3	Confident	18 Å²	18	51 Å²	51	9%	0.094	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140	179.2	-178.7	60.1	0	0	0	110.1	H340 S341 A495 F506 L508 V549	H340-L364 WeakPolarHBondContact CA-O 3.2Å; H340-L364 WeakPolarHBondContact CB-O 3.4Å; S341-L364 PolarHBondContact N-O 3.43Å; S341-L364 VanDerWaalsContact N-O 3.1Å; S341-L364 PolarHBondContact OG-N 3.25Å; S341-L364 VanDerWaalsContact OG-N 3.08Å; L364-A495 HydrophobicContact CB-CB 3.83Å; L364-F506 HydrophobicContact CD2-CE1 3.75Å; L364-F506 HydrophobicContact CD2-CZ 3.5Å; L364-L508 HydrophobicContact CB-CD1 4.41Å; L364-L508 HydrophobicContact CD2-CB 4.36Å; L364-L508 HydrophobicContact CD2-CD1 4.11Å; L364-L508 HydrophobicContact CG-CD1 4.47Å; L364-V549 HydrophobicContact CD1-CG2 4.11Å
365	F	86.7	Confident	82.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.8	179.7	-63	-95.5	0	0	0	109.6	L275 L338 H340 A342 F345 W354 H363 H548	L275-F365 HydrophobicContact CD1-CB 4.42Å; L275-F365 HydrophobicContact CD1-CD1 3.52Å; L275-F365 HydrophobicContact CD1-CE1 4.01Å; L275-F365 HydrophobicContact CD1-CG 4.04Å; L275-F365 HydrophobicContact CD2-CD1 3.84Å; L275-F365 HydrophobicContact CD2-CD2 4.03Å; L275-F365 HydrophobicContact CD2-CE1 3.79Å; L275-F365 HydrophobicContact CD2-CE2 3.98Å; L275-F365 HydrophobicContact CD2-CG 3.99Å; L275-F365 HydrophobicContact CD2-CZ 3.87Å; L275-F365 HydrophobicContact CG-CD1 4.35Å; L338-F365 HydrophobicContact CD1-CB 4.32Å; H340-F365 HydrophobicContact CB-CD1 3.33Å; H340-F365 HydrophobicContact CB-CE1 3.46Å; H340-F365 VanDerWaalsContact CB-CE1 3.46Å; H340-F365 HydrophobicContact CB-CG 4.03Å; H340-F365 HydrophobicContact CB-CZ 4.27Å; H340-F365 AromaticContact CG-CD1 3.94Å; H340-F365 AromaticContact CG-CE1 3.73Å; A342-F365 HydrophobicContact CB-CE1 4.16Å; A342-F365 HydrophobicContact CB-CZ 3.7Å; F345-F365 AromaticContact CD1-CE1 3.97Å; F345-F365 HydrophobicContact CD1-CE1 3.97Å; F345-F365 HydrophobicContact CD1-CZ 4.48Å; F345-F365 AromaticContact CE1-CE1 3.6Å; F345-F365 HydrophobicContact CE1-CE1 3.6Å; F345-F365 HydrophobicContact CE1-CZ 4.25Å; F345-F365 HydrophobicContact CZ-CE1 4.35Å; W354-F365 AromaticContact CH2-CE2 3.89Å; W354-F365 HydrophobicContact CH2-CE2 3.89Å; W354-F365 AromaticContact CH2-CZ 3.82Å; W354-F365 HydrophobicContact CH2-CZ 3.82Å; W354-F365 AromaticContact CZ3-CE2 3.99Å; W354-F365 HydrophobicContact CZ3-CE2 3.99Å; W354-F365 AromaticContact CZ3-CZ 3.62Å; W354-F365 HydrophobicContact CZ3-CZ 3.62Å; H363-F365 HydrophobicContact CB-CE2 3.84Å; H363-F365 HydrophobicContact CB-CZ 4.32Å; F365-H548 PolarHBondContact N-O 3.19Å
366	V	83.1	Confident	82.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.2	175.1	-177.5	0	0	0	0	108.8	L338 T339 L368 L508 L527 I529	L338-V366 WeakPolarHBondContact CA-O 3.46Å; T339-V366 HydrophobicContact CG2-CB 4.31Å; T339-V366 PolarHBondContact N-O 3.39Å; T339-V366 PolarHBondContact O-N 3.45Å; V366-L368 HydrophobicContact CG1-CD2 4.31Å; V366-L368 HydrophobicContact CG1-CG 4.5Å; V366-L508 HydrophobicContact CG2-CD2 4.08Å; V366-L527 HydrophobicContact CB-CD2 3.88Å; V366-L527 HydrophobicContact CG1-CD2 3.6Å; V366-L527 HydrophobicContact CG2-CD2 4.44Å; V366-I529 HydrophobicContact CG1-CD1 3.66Å; V366-I529 HydrophobicContact CG2-CD1 4.04Å
367	C	81.2	Confident	82.4	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.068	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.2	168.4	-174.1	0	0	0	0	110.7	F337 L338 C544 C546	F337-C367 CarbonylContact O-C 3.5Å; F337-C367 WeakPolarHBondContact O-CA 3.37Å; L338-C367 HydrophobicContact CD1-CB 4.31Å; C367-C544 HydrophobicContact CB-CB 4.03Å; C367-C544 WeakPolarHBondContact CB-SG 3.44Å; C367-C544 WeakPolarHBondContact SG-CB 3.49Å; C367-C544 CovalentContact SG-SG 2.04Å; C367-C544 PolarHBondContact SG-SG 2.63Å; C367-C546 HydrophobicContact CB-CB 3.52Å; C367-C546 PolarHBondContact N-O 3.39Å
368	L	79.8	Confident	82.5	Confident	14 Å²	14	43.9 Å²	43.9	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.6	171.6	-56.4	169.9	0	0	0	107.6	F336 F337 V366 T426 F428 L527	F336-L368 CarbonylContact C-O 3.55Å; F336-L368 WeakPolarHBondContact CA-O 3.3Å; F337-L368 HydrophobicContact CD1-CD1 4.43Å; F337-L368 PolarHBondContact N-O 2.99Å; F337-L368 PolarHBondContact O-N 3.4Å; V366-L368 HydrophobicContact CG1-CD2 4.31Å; V366-L368 HydrophobicContact CG1-CG 4.5Å; L368-T426 HydrophobicContact CD1-CG2 3.7Å; L368-T426 HydrophobicContact CD2-CG2 3.79Å; L368-T426 HydrophobicContact CG-CG2 4.41Å; L368-F428 HydrophobicContact CD1-CE1 3.65Å; L368-F428 HydrophobicContact CD1-CZ 3.47Å; L368-F428 VanDerWaalsContact CD1-CZ 3.47Å; L368-L527 HydrophobicContact CD1-CD1 4.11Å; L368-L527 HydrophobicContact CD1-CD2 4.07Å
369	D	80	Confident	82.5	Confident	43 Å²	43	43.9 Å²	43.9	23%	0.23	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	140.6	161.1	-43.8	-63.5	0	0	0	108.3	R420 K423 C544	D369-R420 PolarHBondContact O-NH1 3.25Å; D369-K423 IonicContact OD2-NZ 3.59Å; D369-K423 PolarHBondContact OD2-NZ 2.97Å; D369-C544 WeakPolarHBondContact OD1-CB 3.25Å; D369-C544 PolarHBondContact OD1-N 2.68Å
370	V	79.8	Confident	82.4	Confident	3 Å²	3	43 Å²	43	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.6	175.2	-62	0	0	0	0	111.3	F330 R334 G335 F337 D374 I378	F330-V370 HydrophobicContact CD2-CG2 4.35Å; R334-V370 WeakPolarHBondContact CA-O 3.25Å; G335-V370 PolarHBondContact N-O 2.99Å; G335-V370 PolarHBondContact O-N 3.08Å; F337-V370 HydrophobicContact CB-CG1 3.95Å; V370-D374 HydrophobicContact CB-CB 3.78Å; V370-D374 HydrophobicContact CG1-CB 4.05Å; V370-I378 HydrophobicContact CG1-CD1 3.57Å
371	N	84.1	Confident	82.5	Confident	64 Å²	64	35 Å²	35	34%	0.342	17%	0.172	S	C	.	.			trans	-88.3	-177.8	160.5	72.9	69.9	0	0	0	110.6	K373 D374 L375	N371-K373 WeakPolarHBondContact OD1-CA 3.5Å; N371-K373 WeakPolarHBondContact OD1-CB 3.35Å; N371-K373 PolarHBondContact OD1-N 3.05Å; N371-D374 PolarHBondContact N-OD2 2.85Å; N371-D374 PolarHBondContact ND2-OD1 2.83Å; N371-D374 PolarHBondContact ND2-OD2 3.21Å; N371-D374 PolarHBondContact O-N 2.92Å; N371-D374 PolarHBondContact OD1-N 3Å; N371-L375 WeakPolarHBondContact O-CB 3.42Å; N371-L375 PolarHBondContact O-N 3.13Å
372	E	85.7	Confident	82.6	Confident	114 Å²	114	31.8 Å²	31.8	53%	0.533	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-41.6	-179.1	-171.6	168.9	-151.5	0	0	114	F330 L375 Q376	F330-E372 HydrophobicContact CZ-CB 3.93Å; F330-E372 HydrophobicContact CZ-CG 4.44Å; E372-L375 WeakPolarHBondContact O-CB 3.47Å; E372-L375 PolarHBondContact O-N 3.48Å; E372-Q376 WeakPolarHBondContact O-CB 3.2Å; E372-Q376 PolarHBondContact O-N 2.69Å
373	K	84.2	Confident	82.7	Confident	162 Å²	162	32 Å²	32	70%	0.704	16%	0.157	S	C	*	.	H	α-helix	trans	-68.6	-37.3	176.4	-57.4	-179.1	178.6	-177.8	0	111.4	N371 S377	N371-K373 WeakPolarHBondContact OD1-CA 3.5Å; N371-K373 WeakPolarHBondContact OD1-CB 3.35Å; N371-K373 PolarHBondContact OD1-N 3.05Å; K373-S377 VanDerWaalsContact O-CB 3.29Å; K373-S377 WeakPolarHBondContact O-CB 3.39Å; K373-S377 PolarHBondContact O-N 3.07Å; K373-S377 PolarHBondContact O-OG 3.44Å
374	D	82.5	Confident	82.1	Confident	15 Å²	15	33.1 Å²	33.1	8%	0.08	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-47.5	173.5	-59.7	-11.4	0	0	0	109.8	V370 N371 S377 I378 Q418 R420	V370-D374 HydrophobicContact CB-CB 3.78Å; V370-D374 HydrophobicContact CG1-CB 4.05Å; N371-D374 PolarHBondContact N-OD2 2.85Å; N371-D374 PolarHBondContact ND2-OD1 2.83Å; N371-D374 PolarHBondContact ND2-OD2 3.21Å; N371-D374 PolarHBondContact O-N 2.92Å; N371-D374 PolarHBondContact OD1-N 3Å; D374-S377 PolarHBondContact O-N 2.99Å; D374-I378 WeakPolarHBondContact O-CD1 3.03Å; D374-I378 VanDerWaalsContact O-CG1 3.26Å; D374-I378 WeakPolarHBondContact O-CG1 3.07Å; D374-I378 PolarHBondContact O-N 3.06Å; D374-Q418 PolarHBondContact O-NE2 2.95Å; D374-R420 IonicContact OD2-NH1 3.28Å
375	L	85.5	Confident	81.5	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-48.5	179.1	174.5	66.8	0	0	0	112.1	V328 F330 N371 E372 S377 I378 A379 P398 L399	V328-L375 HydrophobicContact CG1-CD1 3.48Å; V328-L375 VanDerWaalsContact CG1-CD1 3.48Å; F330-L375 HydrophobicContact CB-CD2 3.93Å; F330-L375 HydrophobicContact CD1-CD2 3.64Å; F330-L375 HydrophobicContact CD2-CD2 3.88Å; F330-L375 HydrophobicContact CE1-CD2 4.03Å; F330-L375 HydrophobicContact CE2-CD2 4.28Å; F330-L375 HydrophobicContact CG-CD2 3.56Å; F330-L375 HydrophobicContact CZ-CD2 4.35Å; N371-L375 WeakPolarHBondContact O-CB 3.42Å; N371-L375 PolarHBondContact O-N 3.13Å; E372-L375 WeakPolarHBondContact O-CB 3.47Å; E372-L375 PolarHBondContact O-N 3.48Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 3.49Å; L375-I378 PolarHBondContact O-N 2.96Å; L375-A379 VanDerWaalsContact O-CB 3.31Å; L375-A379 WeakPolarHBondContact O-CB 3.39Å; L375-A379 PolarHBondContact O-N 2.88Å; L375-P398 HydrophobicContact CG-CB 4.34Å; L375-L399 HydrophobicContact CD1-CD2 3.95Å; L375-L399 HydrophobicContact CD1-CG 4.29Å
376	Q	85.7	Confident	81	Confident	95 Å²	95	35.5 Å²	35.5	44%	0.444	18%	0.179	S	C	.	.	H	α-helix	trans	-56.8	-49.9	175.6	-178.9	179.2	5	0	0	110.4	E372 I378 A379 D380 P398	E372-Q376 WeakPolarHBondContact O-CB 3.2Å; E372-Q376 PolarHBondContact O-N 2.69Å; Q376-I378 VanDerWaalsContact C-N 3.27Å; Q376-I378 PolarHBondContact O-N 2.86Å; Q376-A379 PolarHBondContact O-N 3.2Å; Q376-D380 WeakPolarHBondContact CG-OD2 3.24Å; Q376-D380 WeakPolarHBondContact O-CB 2.97Å; Q376-D380 PolarHBondContact O-N 3.05Å; Q376-P398 HydrophobicContact CB-CG 4.24Å
377	S	80.3	Confident	81	Confident	34 Å²	34	36.4 Å²	36.4	24%	0.238	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-31.9	178.6	-78.3	0	0	0	0	114.4	K373 D374 L375 R381	K373-S377 VanDerWaalsContact O-CB 3.29Å; K373-S377 WeakPolarHBondContact O-CB 3.39Å; K373-S377 PolarHBondContact O-N 3.07Å; K373-S377 PolarHBondContact O-OG 3.44Å; D374-S377 PolarHBondContact O-N 2.99Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 3.49Å; S377-R381 WeakPolarHBondContact O-CD 3.31Å; S377-R381 WeakPolarHBondContact O-CG 3.08Å; S377-R381 PolarHBondContact O-NH1 2.81Å; S377-R381 PolarHBondContact OG-NH1 2.99Å
378	I	81	Confident	81.3	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-75.9	-48.7	174.3	-70.4	157.3	0	0	0	109.8	F337 V370 D374 L375 Q376 R381 L382 F428	F337-I378 HydrophobicContact CB-CD1 4.1Å; F337-I378 HydrophobicContact CD1-CD1 3.72Å; F337-I378 HydrophobicContact CD1-CG1 4.13Å; F337-I378 HydrophobicContact CD1-CG2 3.79Å; F337-I378 HydrophobicContact CE1-CG2 3.8Å; F337-I378 HydrophobicContact CG-CD1 4.28Å; F337-I378 HydrophobicContact CG-CG2 4.28Å; F337-I378 HydrophobicContact CZ-CG2 4.35Å; V370-I378 HydrophobicContact CG1-CD1 3.57Å; D374-I378 WeakPolarHBondContact O-CD1 3.03Å; D374-I378 VanDerWaalsContact O-CG1 3.26Å; D374-I378 WeakPolarHBondContact O-CG1 3.07Å; D374-I378 PolarHBondContact O-N 3.06Å; L375-I378 PolarHBondContact O-N 2.96Å; Q376-I378 VanDerWaalsContact C-N 3.27Å; Q376-I378 PolarHBondContact O-N 2.86Å; I378-R381 PolarHBondContact O-N 2.87Å; I378-L382 WeakPolarHBondContact O-CB 3.15Å; I378-L382 PolarHBondContact O-N 2.82Å; I378-F428 HydrophobicContact CD1-CE1 4.43Å; I378-F428 HydrophobicContact CD1-CE2 4.21Å; I378-F428 HydrophobicContact CD1-CZ 3.76Å; I378-F428 HydrophobicContact CG1-CD2 4.43Å; I378-F428 HydrophobicContact CG1-CE1 4.19Å; I378-F428 HydrophobicContact CG1-CE2 3.87Å; I378-F428 HydrophobicContact CG1-CZ 3.71Å
379	A	84.4	Confident	81.8	Confident	2 Å²	2	40 Å²	40	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-49.1	-176	0	0	0	0	0	112.9	L375 Q376 R381 L382 V383 P398 L402	L375-A379 VanDerWaalsContact O-CB 3.31Å; L375-A379 WeakPolarHBondContact O-CB 3.39Å; L375-A379 PolarHBondContact O-N 2.88Å; Q376-A379 PolarHBondContact O-N 3.2Å; A379-R381 PolarHBondContact O-N 3.14Å; A379-R381 VanDerWaalsContact O-N 3.12Å; A379-L382 PolarHBondContact O-N 2.9Å; A379-V383 PolarHBondContact O-N 2.84Å; A379-P398 HydrophobicContact CB-CB 3.78Å; A379-P398 WeakPolarHBondContact CB-O 3.33Å; A379-L402 HydrophobicContact CB-CB 4.31Å
380	D	79.7	Confident	82.1	Confident	22 Å²	22	39.8 Å²	39.8	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-55.7	-32.7	179.6	-74	-33.6	0	0	0	112.7	Q376 R401	Q376-D380 WeakPolarHBondContact CG-OD2 3.24Å; Q376-D380 WeakPolarHBondContact O-CB 2.97Å; Q376-D380 PolarHBondContact O-N 3.05Å; D380-R401 IonicContact OD1-CZ 2.64Å; D380-R401 IonicContact OD1-NH1 2.94Å; D380-R401 PolarHBondContact OD1-NH1 3.24Å; D380-R401 IonicContact OD1-NH2 2.59Å; D380-R401 PolarHBondContact OD1-NH2 3.18Å
381	R	78.6	Confident	82.5	Confident	49 Å²	49	39.7 Å²	39.7	19%	0.185	20%	0.199	C	C	.	.	H	α-helix	trans	-97.7	-30.9	-174.8	-58.4	-177.4	174.2	89.3	-10.2	112.8	S377 I378 A379 V383 Y384 I410 V414 S416 F430	S377-R381 WeakPolarHBondContact O-CD 3.31Å; S377-R381 WeakPolarHBondContact O-CG 3.08Å; S377-R381 PolarHBondContact O-NH1 2.81Å; S377-R381 PolarHBondContact OG-NH1 2.99Å; I378-R381 PolarHBondContact O-N 2.87Å; A379-R381 PolarHBondContact O-N 3.14Å; A379-R381 VanDerWaalsContact O-N 3.12Å; R381-V383 PolarHBondContact O-N 2.04Å; R381-Y384 VanDerWaalsContact O-CB 3.3Å; R381-Y384 WeakPolarHBondContact O-CB 3.47Å; R381-Y384 PolarHBondContact O-N 3.48Å; R381-I410 HydrophobicContact CG-CD1 4.38Å; R381-V414 HydrophobicContact CG-CG1 3.85Å; R381-V414 VanDerWaalsContact NE-CG1 3.27Å; R381-S416 PolarHBondContact NH1-OG 2.75Å; R381-F430 HydrophobicContact CB-CD2 3.53Å; R381-F430 HydrophobicContact CB-CE1 4.37Å; R381-F430 HydrophobicContact CB-CE2 3.31Å; R381-F430 HydrophobicContact CB-CG 4.14Å; R381-F430 HydrophobicContact CB-CZ 3.78Å; R381-F430 HydrophobicContact CG-CD2 4.45Å; R381-F430 HydrophobicContact CG-CE2 4.33Å; R381-F430 VanDerWaalsContact O-CD1 3.32Å; R381-F430 WeakPolarHBondContact O-CD1 3.4Å
382	L	81.8	Confident	82.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-25.3	174.7	-171.1	67.1	0	0	0	111.7	F308 I378 A379 Y384 S385 P387 L402 F430	F308-L382 HydrophobicContact CD1-CD2 4.43Å; F308-L382 HydrophobicContact CE1-CD2 3.75Å; F308-L382 HydrophobicContact CE2-CD1 4.02Å; F308-L382 HydrophobicContact CE2-CD2 4.32Å; F308-L382 HydrophobicContact CZ-CD1 3.94Å; F308-L382 HydrophobicContact CZ-CD2 3.68Å; F308-L382 HydrophobicContact CZ-CG 4.4Å; I378-L382 WeakPolarHBondContact O-CB 3.15Å; I378-L382 PolarHBondContact O-N 2.82Å; A379-L382 PolarHBondContact O-N 2.9Å; L382-Y384 PolarHBondContact O-N 2.97Å; L382-S385 WeakPolarHBondContact CD1-OG 2.83Å; L382-S385 PolarHBondContact O-N 2.77Å; L382-S385 PolarHBondContact O-OG 2.79Å; L382-S385 VanDerWaalsContact O-OG 3.12Å; L382-P387 HydrophobicContact CG-CG 4.23Å; L382-P387 WeakPolarHBondContact O-CD 3.41Å; L382-L402 HydrophobicContact CB-CD1 4.02Å; L382-L402 HydrophobicContact CD2-CD1 4.22Å; L382-L402 HydrophobicContact CD2-CD2 3.93Å; L382-L402 HydrophobicContact CG-CD1 4.14Å; L382-F430 HydrophobicContact CB-CE1 4.28Å; L382-F430 HydrophobicContact CD1-CE1 4.09Å
383	V	79.8	Confident	82.5	Confident	19 Å²	19	33.5 Å²	33.5	12%	0.115	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-53.8	-35.6	167.7	175.1	0	0	0	0	112.1	A379 R381 S385 S386 L402	A379-V383 PolarHBondContact O-N 2.84Å; R381-V383 PolarHBondContact O-N 2.04Å; V383-S385 PolarHBondContact O-N 2.83Å; V383-S386 PolarHBondContact O-N 3.4Å; V383-S386 VanDerWaalsContact O-N 3.15Å; V383-L402 HydrophobicContact CG2-CB 4.47Å; V383-L402 HydrophobicContact CG2-CD1 3.74Å
384	Y	73.1	Confident	81.9	Confident	26 Å²	26	27 Å²	27	10%	0.102	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-63.9	-28.2	179.2	-74.6	-103.8	0	0	0	112.6	R381 L382 S386 T407 T408 I410 H432 S523	R381-Y384 VanDerWaalsContact O-CB 3.3Å; R381-Y384 WeakPolarHBondContact O-CB 3.47Å; R381-Y384 PolarHBondContact O-N 3.48Å; L382-Y384 PolarHBondContact O-N 2.97Å; Y384-S386 PolarHBondContact O-N 3.47Å; Y384-T407 WeakPolarHBondContact CE2-OG1 3.4Å; Y384-T407 PolarHBondContact OH-OG1 3.15Å; Y384-T408 PolarHBondContact OH-O 3.33Å; Y384-I410 HydrophobicContact CE2-CB 4.25Å; Y384-I410 HydrophobicContact CE2-CD1 3.79Å; Y384-I410 HydrophobicContact CE2-CG1 4.01Å; Y384-I410 WeakPolarHBondContact OH-CB 3.26Å; Y384-I410 PolarHBondContact OH-N 2.77Å; Y384-H432 HydrophobicContact CD1-CB 4.37Å; Y384-S523 VanDerWaalsContact O-CB 3.29Å; Y384-S523 WeakPolarHBondContact O-CB 3.42Å; Y384-S523 PolarHBondContact O-OG 3.29Å
385	S	73.6	Confident	81.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-80.8	4.2	179	82.9	0	0	0	0	114.3	S324 L382 V383 P387 S523	S324-S385 WeakPolarHBondContact CB-OG 3.23Å; S324-S385 PolarHBondContact OG-OG 3.21Å; L382-S385 WeakPolarHBondContact CD1-OG 2.83Å; L382-S385 PolarHBondContact O-N 2.77Å; L382-S385 PolarHBondContact O-OG 2.79Å; L382-S385 VanDerWaalsContact O-OG 3.12Å; V383-S385 PolarHBondContact O-N 2.83Å; S385-P387 VanDerWaalsContact C-N 3.35Å; S385-S523 WeakPolarHBondContact CA-OG 3.32Å
386	S	76.8	Confident	80.6	Confident	68 Å²	68	29.1 Å²	29.1	48%	0.476	17%	0.167	S	C	.	.			trans	43.6	53	-178.4	-60.2	0	0	0	0	113.1	V383 Y384 L388	V383-S386 PolarHBondContact O-N 3.4Å; V383-S386 VanDerWaalsContact O-N 3.15Å; Y384-S386 PolarHBondContact O-N 3.47Å; S386-L388 PolarHBondContact O-N 2.8Å
387	P	83.3	Confident	80.5	Confident	20 Å²	20	29 Å²	29	13%	0.13	17%	0.169	C	C	.	.			trans	-66.2	128.9	-169.9	28.7	-37.1	0	0	0	110.9	F308 L382 S385 I389 L402	F308-P387 HydrophobicContact CB-CB 3.92Å; F308-P387 HydrophobicContact CD2-CB 3.58Å; F308-P387 HydrophobicContact CE2-CB 4.3Å; F308-P387 HydrophobicContact CG-CB 3.87Å; L382-P387 HydrophobicContact CG-CG 4.23Å; L382-P387 WeakPolarHBondContact O-CD 3.41Å; S385-P387 VanDerWaalsContact C-N 3.35Å; P387-I389 HydrophobicContact CG-CD1 4.48Å; P387-I389 HydrophobicContact CG-CG1 4.41Å; P387-I389 PolarHBondContact O-N 2.75Å; P387-L402 HydrophobicContact CG-CD1 4.14Å
388	L	87.4	Confident	80.7	Confident	60 Å²	60	28.1 Å²	28.1	31%	0.314	16%	0.162	S	C	.	.			trans	-73.5	93.6	171.4	178.3	58.4	0	0	0	109.5	F308 N309 L312 T320 S386	F308-L388 WeakPolarHBondContact CA-O 3.15Å; F308-L388 WeakPolarHBondContact CB-O 3.24Å; N309-L388 PolarHBondContact N-O 2.87Å; N309-L388 VanDerWaalsContact N-O 3.08Å; L312-L388 HydrophobicContact CD1-CD2 4.12Å; L312-L388 HydrophobicContact CD2-CD2 3.56Å; L312-L388 HydrophobicContact CD2-CG 3.9Å; L312-L388 HydrophobicContact CG-CD2 3.69Å; T320-L388 HydrophobicContact CG2-CB 3.99Å; T320-L388 HydrophobicContact CG2-CD2 3.59Å; T320-L388 HydrophobicContact CG2-CG 4.3Å; S386-L388 PolarHBondContact O-N 2.8Å
389	I	89.5	Confident	81	Confident	39 Å²	39	28 Å²	28	20%	0.2	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.3	176.3	-62.9	165.8	0	0	0	108.7	V306 I307 F308 P387 L402	V306-I389 HydrophobicContact CG1-CB 4.42Å; V306-I389 HydrophobicContact CG1-CD1 3.77Å; V306-I389 HydrophobicContact CG1-CG1 3.67Å; V306-I389 HydrophobicContact CG1-CG2 3.92Å; I307-I389 WeakPolarHBondContact O-CA 3.35Å; F308-I389 HydrophobicContact CB-CG1 4.04Å; P387-I389 HydrophobicContact CG-CD1 4.48Å; P387-I389 HydrophobicContact CG-CG1 4.41Å; P387-I389 PolarHBondContact O-N 2.75Å; I389-L402 HydrophobicContact CD1-CG 4.15Å
390	Y	88.1	Confident	81	Confident	38 Å²	38	31 Å²	31	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-12.6	-178.7	62.9	-88.8	0	0	0	114.2	L291 I307 N309 L312 P313 F345 P346 I348	L291-Y390 WeakPolarHBondContact CD1-O 3.28Å; I307-Y390 HydrophobicContact CG2-CE1 3.9Å; I307-Y390 HydrophobicContact CG2-CE2 3.99Å; I307-Y390 WeakPolarHBondContact CG2-OH 3.25Å; I307-Y390 PolarHBondContact O-N 3.06Å; N309-Y390 HydrophobicContact CB-CE1 3.7Å; L312-Y390 HydrophobicContact CD2-CD1 3.57Å; L312-Y390 HydrophobicContact CD2-CE1 4.37Å; L312-Y390 HydrophobicContact CD2-CG 3.68Å; P313-Y390 HydrophobicContact CG-CE2 3.75Å; F345-Y390 PolarHBondContact O-OH 3.23Å; P346-Y390 WeakPolarHBondContact CD-OH 3.5Å; P346-Y390 PolarHBondContact O-OH 3.4Å; I348-Y390 HydrophobicContact CD1-CE2 3.84Å; I348-Y390 HydrophobicContact CG1-CD2 4.04Å; I348-Y390 HydrophobicContact CG1-CE2 3.67Å
391	A	87.1	Confident	81.3	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.7	168.9	0	0	0	0	0	110	L291 Y305 I307 I348	L291-A391 HydrophobicContact CD1-CB 3.8Å; L291-A391 HydrophobicContact CD2-CB 3.93Å; Y305-A391 HydrophobicContact CE2-CB 4.36Å; I307-A391 HydrophobicContact CB-CB 4.15Å; I307-A391 HydrophobicContact CD1-CB 4.22Å; I307-A391 HydrophobicContact CG1-CB 4.43Å; I307-A391 PolarHBondContact N-O 3.27Å; I307-A391 PolarHBondContact O-N 3.4Å; I348-A391 HydrophobicContact CD1-CB 4Å; I348-A391 HydrophobicContact CG1-CB 4Å
392	S	87.5	Confident	81.6	Confident	38 Å²	38	30.3 Å²	30.3	27%	0.266	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	159.4	179.5	53.2	0	0	0	0	113.7	Y305 F394	Y305-S392 VanDerWaalsContact CE2-C 3.45Å; Y305-S392 CarbonylContact O-C 3.58Å; Y305-S392 WeakPolarHBondContact O-CA 3.26Å; Y305-S392 WeakPolarHBondContact O-CB 3.27Å; S392-F394 VanDerWaalsContact CB-CE2 3.46Å; S392-F394 WeakPolarHBondContact OG-CE2 3.32Å; S392-F394 WeakPolarHBondContact OG-CZ 3.23Å
393	S	81.9	Confident	81.7	Confident	9 Å²	9	35.2 Å²	35.2	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.2	171.8	-176.3	0	0	0	0	110.4	N299 S304 Y305	N299-S393 VanDerWaalsContact ND2-CB 3.3Å; N299-S393 WeakPolarHBondContact ND2-CB 3.5Å; N299-S393 PolarHBondContact ND2-OG 3.17Å; N299-S393 WeakPolarHBondContact OD1-CB 3.27Å; N299-S393 PolarHBondContact OD1-OG 3.22Å; S304-S393 CarbonylContact C-O 3.51Å; S304-S393 VanDerWaalsContact CA-O 3.28Å; S304-S393 WeakPolarHBondContact CA-O 3.31Å; S304-S393 WeakPolarHBondContact CB-O 3.17Å; Y305-S393 PolarHBondContact N-O 3.25Å; Y305-S393 PolarHBondContact O-N 2.98Å
394	F	72.5	Confident	82	Confident	27 Å²	27	38.8 Å²	38.8	12%	0.118	21%	0.208	C	C	.	.			trans	-137.8	94.5	-156	-56.7	-81	0	0	0	115.2	V306 S392 L399 K400 R403	V306-F394 HydrophobicContact CG2-CE1 3.62Å; V306-F394 HydrophobicContact CG2-CZ 4.11Å; S392-F394 VanDerWaalsContact CB-CE2 3.46Å; S392-F394 WeakPolarHBondContact OG-CE2 3.32Å; S392-F394 WeakPolarHBondContact OG-CZ 3.23Å; F394-L399 HydrophobicContact CD1-CB 3.72Å; F394-L399 VanDerWaalsContact CE1-C 3.49Å; F394-L399 HydrophobicContact CE1-CB 3.93Å; F394-L399 WeakPolarHBondContact CE1-O 3.36Å; F394-K400 HydrophobicContact CB-CD 4.41Å; F394-K400 HydrophobicContact CB-CG 3.67Å; F394-K400 HydrophobicContact CD1-CG 4.09Å; F394-K400 HydrophobicContact CG-CG 4.09Å; F394-K400 WeakPolarHBondContact O-CE 3.07Å; F394-R403 HydrophobicContact CE1-CB 3.85Å; F394-R403 HydrophobicContact CE2-CB 4.39Å; F394-R403 HydrophobicContact CE2-CG 4.32Å; F394-R403 HydrophobicContact CZ-CB 3.51Å; F394-R403 HydrophobicContact CZ-CG 3.8Å
395	G	66.9	Low	82.2	Confident	39 Å²	39	39.6 Å²	39.6	40%	0.402	23%	0.225	S	C	.	.	S	Bend	trans	-80.3	-56.4	154.7	0	0	0	0	0	111.4	S304 K400	S304-G395 WeakPolarHBondContact OG-CA 3.28Å; S304-G395 PolarHBondContact OG-N 3.26Å; G395-K400 WeakPolarHBondContact O-CE 3.3Å; G395-K400 PolarHBondContact O-NZ 2.76Å
396	T	74.4	Confident	82.3	Confident	22 Å²	22	42.9 Å²	42.9	14%	0.135	24%	0.244	C	C	.	.	S	Bend	trans	-81.8	148.7	-168.8	60.4	0	0	0	0	115	S304 F330 K400	S304-T396 PolarHBondContact OG-N 3.08Å; F330-T396 HydrophobicContact CD1-CG2 3.79Å; F330-T396 HydrophobicContact CE1-CG2 4.01Å; T396-K400 WeakPolarHBondContact O-CG 3.33Å; T396-K400 PolarHBondContact O-N 3.16Å
397	D	83.2	Confident	81.8	Confident	91 Å²	91	42.7 Å²	42.7	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-44.7	-177.3	178.8	71.1	0	0	0	115.3	L399 K400 R401	D397-L399 PolarHBondContact O-N 2.76Å; D397-L399 VanDerWaalsContact O-N 3.1Å; D397-K400 WeakPolarHBondContact O-CA 3.42Å; D397-K400 WeakPolarHBondContact O-CB 3.25Å; D397-K400 PolarHBondContact O-N 3.3Å; D397-R401 PolarHBondContact O-N 3.34Å; D397-R401 WeakPolarHBondContact OD2-CD 3.19Å
398	P	84.8	Confident	80.8	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.104	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-36.3	-177.8	-28.2	36.2	0	0	0	113.4	L375 Q376 A379 L402	L375-P398 HydrophobicContact CG-CB 4.34Å; Q376-P398 HydrophobicContact CB-CG 4.24Å; A379-P398 HydrophobicContact CB-CB 3.78Å; A379-P398 WeakPolarHBondContact CB-O 3.33Å; P398-L402 WeakPolarHBondContact O-CB 3.35Å; P398-L402 PolarHBondContact O-N 2.84Å
399	L	85.9	Confident	79.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-73.7	-35.9	176	-64.8	-179.5	0	0	0	112.2	V306 V328 L375 F394 D397 L402 R403	V306-L399 HydrophobicContact CB-CD2 4.27Å; V306-L399 HydrophobicContact CG2-CB 4.06Å; V306-L399 HydrophobicContact CG2-CD1 4.39Å; V306-L399 HydrophobicContact CG2-CD2 3.81Å; V306-L399 HydrophobicContact CG2-CG 4.3Å; V328-L399 HydrophobicContact CB-CD2 4.38Å; V328-L399 HydrophobicContact CG1-CD2 3.99Å; L375-L399 HydrophobicContact CD1-CD2 3.95Å; L375-L399 HydrophobicContact CD1-CG 4.29Å; F394-L399 HydrophobicContact CD1-CB 3.72Å; F394-L399 VanDerWaalsContact CE1-C 3.49Å; F394-L399 HydrophobicContact CE1-CB 3.93Å; F394-L399 WeakPolarHBondContact CE1-O 3.36Å; D397-L399 PolarHBondContact O-N 2.76Å; D397-L399 VanDerWaalsContact O-N 3.1Å; L399-L402 HydrophobicContact CD2-CD2 4.08Å; L399-L402 PolarHBondContact O-N 2.64Å; L399-R403 PolarHBondContact O-N 3.48Å
400	K	85.7	Confident	78.1	Confident	65 Å²	65	53 Å²	53	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-46.2	173	-69	168.3	174.8	164.1	0	110.9	F394 G395 T396 D397 R403 N404	F394-K400 HydrophobicContact CB-CD 4.41Å; F394-K400 HydrophobicContact CB-CG 3.67Å; F394-K400 HydrophobicContact CD1-CG 4.09Å; F394-K400 HydrophobicContact CG-CG 4.09Å; F394-K400 WeakPolarHBondContact O-CE 3.07Å; G395-K400 WeakPolarHBondContact O-CE 3.3Å; G395-K400 PolarHBondContact O-NZ 2.76Å; T396-K400 WeakPolarHBondContact O-CG 3.33Å; T396-K400 PolarHBondContact O-N 3.16Å; D397-K400 WeakPolarHBondContact O-CA 3.42Å; D397-K400 WeakPolarHBondContact O-CB 3.25Å; D397-K400 PolarHBondContact O-N 3.3Å; K400-R403 PolarHBondContact O-N 2.91Å; K400-N404 WeakPolarHBondContact O-CB 3.45Å; K400-N404 PolarHBondContact O-N 2.66Å; K400-N404 PolarHBondContact O-OD1 2.68Å
401	R	84.6	Confident	76.8	Confident	47 Å²	47	55 Å²	55	18%	0.177	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-42.9	176.5	-71.2	179.9	54.4	-117.7	-22	112.2	D380 D397 N404 G405 V406	D380-R401 IonicContact OD1-CZ 2.64Å; D380-R401 IonicContact OD1-NH1 2.94Å; D380-R401 PolarHBondContact OD1-NH1 3.24Å; D380-R401 IonicContact OD1-NH2 2.59Å; D380-R401 PolarHBondContact OD1-NH2 3.18Å; D397-R401 PolarHBondContact O-N 3.34Å; D397-R401 WeakPolarHBondContact OD2-CD 3.19Å; R401-N404 PolarHBondContact O-N 3.4Å; R401-G405 PolarHBondContact O-N 2.64Å; R401-G405 VanDerWaalsContact O-N 3.17Å; R401-V406 HydrophobicContact CB-CB 4.35Å; R401-V406 PolarHBondContact NH2-O 3.45Å; R401-V406 VanDerWaalsContact NH2-O 3.15Å; R401-V406 PolarHBondContact O-N 3.03Å
402	L	86.1	Confident	75.6	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-48.8	173.7	173.7	63.2	0	0	0	112.5	V306 A379 L382 V383 P387 I389 P398 L399 N404 G405	V306-L402 HydrophobicContact CB-CD2 4.48Å; V306-L402 HydrophobicContact CG1-CD2 4.09Å; V306-L402 HydrophobicContact CG2-CD2 4.44Å; A379-L402 HydrophobicContact CB-CB 4.31Å; L382-L402 HydrophobicContact CB-CD1 4.02Å; L382-L402 HydrophobicContact CD2-CD1 4.22Å; L382-L402 HydrophobicContact CD2-CD2 3.93Å; L382-L402 HydrophobicContact CG-CD1 4.14Å; V383-L402 HydrophobicContact CG2-CB 4.47Å; V383-L402 HydrophobicContact CG2-CD1 3.74Å; P387-L402 HydrophobicContact CG-CD1 4.14Å; I389-L402 HydrophobicContact CD1-CG 4.15Å; P398-L402 WeakPolarHBondContact O-CB 3.35Å; P398-L402 PolarHBondContact O-N 2.84Å; L399-L402 HydrophobicContact CD2-CD2 4.08Å; L399-L402 PolarHBondContact O-N 2.64Å; L402-N404 VanDerWaalsContact C-N 3.34Å; L402-N404 PolarHBondContact O-N 3.3Å; L402-G405 PolarHBondContact O-N 3.14Å
403	R	84.7	Confident	74.3	Confident	104 Å²	104	60.6 Å²	60.6	39%	0.392	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-43.5	175.9	-176.9	-157.9	59.4	-158.9	0.5	112	F394 L399 K400 G405	F394-R403 HydrophobicContact CE1-CB 3.85Å; F394-R403 HydrophobicContact CE2-CB 4.39Å; F394-R403 HydrophobicContact CE2-CG 4.32Å; F394-R403 HydrophobicContact CZ-CB 3.51Å; F394-R403 HydrophobicContact CZ-CG 3.8Å; L399-R403 PolarHBondContact O-N 3.48Å; K400-R403 PolarHBondContact O-N 2.91Å; R403-G405 PolarHBondContact O-N 2.99Å
404	N	84.3	Confident	73.1	Confident	94 Å²	94	60.6 Å²	60.6	50%	0.503	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-1	-177.4	-65.9	0.8	0	0	0	113.1	K400 R401 L402 V406	K400-N404 WeakPolarHBondContact O-CB 3.45Å; K400-N404 PolarHBondContact O-N 2.66Å; K400-N404 PolarHBondContact O-OD1 2.68Å; R401-N404 PolarHBondContact O-N 3.4Å; L402-N404 VanDerWaalsContact C-N 3.34Å; L402-N404 PolarHBondContact O-N 3.3Å; N404-V406 HydrophobicContact CB-CG2 3.68Å; N404-V406 PolarHBondContact O-N 3.12Å
405	G	77.6	Confident	72.5	Confident	44 Å²	44	65.3 Å²	65.3	45%	0.454	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	17	-175.8	0	0	0	0	0	114.2	R401 L402 R403 T407	R401-G405 PolarHBondContact O-N 2.64Å; R401-G405 VanDerWaalsContact O-N 3.17Å; L402-G405 PolarHBondContact O-N 3.14Å; R403-G405 PolarHBondContact O-N 2.99Å; G405-T407 PolarHBondContact O-N 2.93Å
406	V	76	Confident	72	Confident	68 Å²	68	63.9 Å²	63.9	41%	0.412	32%	0.323	S	S	.	.			trans	-79.6	85	-171.7	-179.9	0	0	0	0	110.4	R401 N404	R401-V406 HydrophobicContact CB-CB 4.35Å; R401-V406 PolarHBondContact NH2-O 3.45Å; R401-V406 VanDerWaalsContact NH2-O 3.15Å; R401-V406 PolarHBondContact O-N 3.03Å; N404-V406 HydrophobicContact CB-CG2 3.68Å; N404-V406 PolarHBondContact O-N 3.12Å
407	T	66	Low	71.2	Confident	65 Å²	65	66.4 Å²	66.4	40%	0.399	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-78.2	142	169.9	-155.2	0	0	0	0	110.9	Y384 G405	Y384-T407 WeakPolarHBondContact CE2-OG1 3.4Å; Y384-T407 PolarHBondContact OH-OG1 3.15Å; G405-T407 PolarHBondContact O-N 2.93Å
408	T	63	Low	70.1	Confident	76 Å²	76	62.9 Å²	62.9	47%	0.466	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-83.7	157.9	154.9	46.5	0	0	0	0	108.5	Y384 I410	Y384-T408 PolarHBondContact OH-O 3.33Å; T408-I410 WeakPolarHBondContact O-CG1 3.4Å; T408-I410 PolarHBondContact O-N 2.72Å
409	W	58	Low	68.8	Low	222 Å²	222	66.8 Å²	66.8	84%	0.841	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.1	120.7	172.9	-175.2	94	0	0	0	109.5	P411	W409-P411 HydrophobicContact CH2-CB 3.93Å; W409-P411 HydrophobicContact CH2-CG 4.43Å; W409-P411 HydrophobicContact CZ3-CB 4.13Å; W409-P411 HydrophobicContact CZ3-CG 4.14Å
410	I	61.4	Low	67.5	Low	36 Å²	36	68.2 Å²	68.2	19%	0.185	35%	0.352	C	S	.	.			trans	-127	127.9	176.2	-43.7	-178.4	0	0	0	108.7	R381 Y384 T408 V414	R381-I410 HydrophobicContact CG-CD1 4.38Å; Y384-I410 HydrophobicContact CE2-CB 4.25Å; Y384-I410 HydrophobicContact CE2-CD1 3.79Å; Y384-I410 HydrophobicContact CE2-CG1 4.01Å; Y384-I410 WeakPolarHBondContact OH-CB 3.26Å; Y384-I410 PolarHBondContact OH-N 2.77Å; T408-I410 WeakPolarHBondContact O-CG1 3.4Å; T408-I410 PolarHBondContact O-N 2.72Å; I410-V414 HydrophobicContact CB-CG2 3.95Å; I410-V414 HydrophobicContact CG2-CB 4.36Å; I410-V414 HydrophobicContact CG2-CG1 3.74Å; I410-V414 HydrophobicContact CG2-CG2 3.68Å
411	P	62.2	Low	66.1	Low	80 Å²	80	71 Å²	71	52%	0.519	38%	0.376	S	S	.	.			trans	-67	158.1	177.6	27.9	-34.1	0	0	0	111.9	W409 V414	W409-P411 HydrophobicContact CH2-CB 3.93Å; W409-P411 HydrophobicContact CH2-CG 4.43Å; W409-P411 HydrophobicContact CZ3-CB 4.13Å; W409-P411 HydrophobicContact CZ3-CG 4.14Å; P411-V414 WeakPolarHBondContact O-CG2 3.43Å
412	R	61.2	Low	64.8	Low	119 Å²	119	74.6 Å²	74.6	45%	0.449	40%	0.399	S	S	.	.	S	Bend	trans	-106.9	152.9	-164.7	-62.2	149.6	157.9	-131.1	16.6	112.5	H432 S434 F435	R412-H432 PolarHBondContact NH2-CE1 2.9Å; R412-H432 PolarHBondContact NH2-ND1 3.34Å; R412-S434 PolarHBondContact NH1-OG 3.33Å; R412-S434 PolarHBondContact NH2-OG 3.07Å; R412-F435 HydrophobicContact CB-CE2 3.6Å; R412-F435 HydrophobicContact CB-CZ 3.56Å; R412-F435 HydrophobicContact CG-CE2 3.71Å; R412-F435 HydrophobicContact CG-CZ 4.01Å
413	P	59.3	Low	63.6	Low	40 Å²	40	77.8 Å²	77.8	26%	0.26	41%	0.413	S	S	.	.	S	Bend	cis	-73.6	145.2	-17.5	31.9	-33.9	0	0	0	110.4	F415	P413-F415 PolarHBondContact O-N 3.39Å; P413-F415 VanDerWaalsContact O-N 3.09Å
414	V	58.4	Low	62.4	Low	8 Å²	8	74.8 Å²	74.8	5%	0.048	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	103	-176.2	-166.3	0	0	0	0	109.9	R381 I410 P411 F430	R381-V414 HydrophobicContact CG-CG1 3.85Å; R381-V414 VanDerWaalsContact NE-CG1 3.27Å; I410-V414 HydrophobicContact CB-CG2 3.95Å; I410-V414 HydrophobicContact CG2-CB 4.36Å; I410-V414 HydrophobicContact CG2-CG1 3.74Å; I410-V414 HydrophobicContact CG2-CG2 3.68Å; P411-V414 WeakPolarHBondContact O-CG2 3.43Å; V414-F430 PolarHBondContact N-O 3.07Å; V414-F430 PolarHBondContact O-N 3.22Å; V414-F430 VanDerWaalsContact O-N 3.11Å
415	F	58.5	Low	61.4	Low	127 Å²	127	72.5 Å²	72.5	56%	0.557	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.3	166.7	65.7	-88.1	0	0	0	111.2	P413 F428 I429	P413-F415 PolarHBondContact O-N 3.39Å; P413-F415 VanDerWaalsContact O-N 3.09Å; F415-F428 CarbonylContact C-O 3.55Å; F415-F428 WeakPolarHBondContact CA-O 3.48Å; F415-I429 HydrophobicContact CB-CD1 4.44Å; F415-I429 HydrophobicContact CB-CG1 4.03Å
416	S	56.6	Low	61	Low	8 Å²	8	70.5 Å²	70.5	6%	0.056	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	90.3	175.6	-176.8	0	0	0	0	109.9	R381 Q418 A427 F428	R381-S416 PolarHBondContact NH1-OG 2.75Å; S416-Q418 PolarHBondContact O-N 3.34Å; S416-A427 WeakPolarHBondContact O-CA 3.19Å; S416-F428 PolarHBondContact N-O 3.38Å; S416-F428 PolarHBondContact O-N 3.19Å
417	V	56.9	Low	60.6	Low	76 Å²	76	67.4 Å²	67.4	46%	0.461	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	98.2	174.7	-172.4	0	0	0	0	109.2	S419 A427	V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 2.91Å; V417-S419 VanDerWaalsContact O-N 3.13Å; V417-A427 HydrophobicContact CB-CB 4.34Å; V417-A427 HydrophobicContact CG1-CB 4.41Å; V417-A427 HydrophobicContact CG2-CB 3.94Å
418	Q	60.2	Low	60.8	Low	16 Å²	16	64.3 Å²	64.3	8%	0.075	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	85.5	166.1	-73	176.4	8.4	0	0	109	D374 S416 T426 F428	D374-Q418 PolarHBondContact O-NE2 2.95Å; S416-Q418 PolarHBondContact O-N 3.34Å; Q418-T426 CarbonylContact C-O 3.5Å; Q418-T426 WeakPolarHBondContact CA-O 3.36Å; Q418-T426 PolarHBondContact N-O 3.48Å; Q418-T426 PolarHBondContact O-N 3.02Å; Q418-F428 HydrophobicContact CG-CE2 4.32Å
419	S	57.5	Low	61.2	Low	99 Å²	99	60.9 Å²	60.9	69%	0.692	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.6	158.4	-170.8	0	0	0	0	108.8	V417	V417-S419 VanDerWaalsContact C-N 3.34Å; V417-S419 PolarHBondContact O-N 2.91Å; V417-S419 VanDerWaalsContact O-N 3.13Å
420	R	60.1	Low	61.8	Low	30 Å²	30	50.4 Å²	50.4	11%	0.113	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.6	-177.3	-69.6	-175	-67	176.9	-3.4	108.6	D369 D374 N422 K423 T426	D369-R420 PolarHBondContact O-NH1 3.25Å; D374-R420 IonicContact OD2-NH1 3.28Å; R420-N422 PolarHBondContact O-N 3.47Å; R420-K423 HydrophobicContact CB-CB 4.05Å; R420-K423 PolarHBondContact O-N 2.87Å; R420-K423 VanDerWaalsContact O-N 3.16Å; R420-T426 PolarHBondContact NH2-OG1 3.16Å
421	P	54.8	Low	62.2	Low	124 Å²	124	48.9 Å²	48.9	81%	0.805	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	137.4	175	-27.4	35.4	0	0	0	111.4	K423	P421-K423 PolarHBondContact O-N 3.22Å
422	N	57.9	Low	62.5	Low	123 Å²	123	46.8 Å²	46.8	66%	0.658	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	20.8	-179.6	-57.5	-4.3	0	0	0	115.5	R420	R420-N422 PolarHBondContact O-N 3.47Å
423	K	60.7	Low	62.7	Low	74 Å²	74	45.7 Å²	45.7	32%	0.322	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.4	173.6	-65.8	-168.6	179.1	-174.5	0	111.9	D369 R420 P421	D369-K423 IonicContact OD2-NZ 3.59Å; D369-K423 PolarHBondContact OD2-NZ 2.97Å; R420-K423 HydrophobicContact CB-CB 4.05Å; R420-K423 PolarHBondContact O-N 2.87Å; R420-K423 VanDerWaalsContact O-N 3.16Å; P421-K423 PolarHBondContact O-N 3.22Å
424	P	59.5	Low	62.9	Low	42 Å²	42	47.3 Å²	47.3	27%	0.273	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	129.3	177.8	-16.4	29.1	0	0	0	110.3	T426 L530	P424-T426 PolarHBondContact O-N 3.14Å; P424-T426 VanDerWaalsContact O-N 3.15Å; P424-T426 PolarHBondContact O-OG1 2.98Å; P424-L530 WeakPolarHBondContact CB-O 3.08Å
425	P	64.4	Low	63.3	Low	45 Å²	45	49.7 Å²	49.7	29%	0.292	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	122.7	-174	13.9	-18.4	0	0	0	110.2	L530	P425-L530 HydrophobicContact CB-CB 4.47Å; P425-L530 HydrophobicContact CB-CD1 4.11Å; P425-L530 HydrophobicContact CG-CB 3.88Å; P425-L530 HydrophobicContact CG-CD1 4.03Å; P425-L530 VanDerWaalsContact O-CB 3.31Å; P425-L530 WeakPolarHBondContact O-CB 3.43Å; P425-L530 PolarHBondContact O-N 2.89Å
426	T	68.6	Low	64.1	Low	3 Å²	3	48.1 Å²	48.1	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.8	-169	-47.2	0	0	0	0	108.4	L368 Q418 R420 P424 F428 L527	L368-T426 HydrophobicContact CD1-CG2 3.7Å; L368-T426 HydrophobicContact CD2-CG2 3.79Å; L368-T426 HydrophobicContact CG-CG2 4.41Å; Q418-T426 CarbonylContact C-O 3.5Å; Q418-T426 WeakPolarHBondContact CA-O 3.36Å; Q418-T426 PolarHBondContact N-O 3.48Å; Q418-T426 PolarHBondContact O-N 3.02Å; R420-T426 PolarHBondContact NH2-OG1 3.16Å; P424-T426 PolarHBondContact O-N 3.14Å; P424-T426 VanDerWaalsContact O-N 3.15Å; P424-T426 PolarHBondContact O-OG1 2.98Å; T426-F428 HydrophobicContact CG2-CZ 4.29Å; T426-L527 HydrophobicContact CG2-CD1 3.69Å
427	A	67.5	Low	65	Low	2 Å²	2	49.8 Å²	49.8	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.9	-177.4	0	0	0	0	0	111.9	S416 V417 I528	S416-A427 WeakPolarHBondContact O-CA 3.19Å; V417-A427 HydrophobicContact CB-CB 4.34Å; V417-A427 HydrophobicContact CG1-CB 4.41Å; V417-A427 HydrophobicContact CG2-CB 3.94Å; A427-I528 HydrophobicContact CB-CB 3.97Å; A427-I528 HydrophobicContact CB-CG2 4.16Å; A427-I528 PolarHBondContact N-O 3.15Å; A427-I528 WeakPolarHBondContact O-CA 3.47Å; A427-I528 WeakPolarHBondContact O-CB 3.33Å; A427-I528 PolarHBondContact O-N 3.35Å; A427-I528 VanDerWaalsContact O-O 3.11Å
428	F	70.8	Confident	66.2	Low	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.5	174.1	-50.7	-87	0	0	0	108.6	F337 L368 I378 F415 S416 Q418 T426 F430 Y525 L527	F337-F428 AromaticContact CD1-CE1 3.76Å; F337-F428 HydrophobicContact CD1-CE1 3.76Å; F337-F428 HydrophobicContact CD1-CZ 4.23Å; F337-F428 HydrophobicContact CE1-CD1 4.22Å; F337-F428 AromaticContact CE1-CE1 3.65Å; F337-F428 HydrophobicContact CE1-CE1 3.65Å; L368-F428 HydrophobicContact CD1-CE1 3.65Å; L368-F428 HydrophobicContact CD1-CZ 3.47Å; L368-F428 VanDerWaalsContact CD1-CZ 3.47Å; I378-F428 HydrophobicContact CD1-CE1 4.43Å; I378-F428 HydrophobicContact CD1-CE2 4.21Å; I378-F428 HydrophobicContact CD1-CZ 3.76Å; I378-F428 HydrophobicContact CG1-CD2 4.43Å; I378-F428 HydrophobicContact CG1-CE1 4.19Å; I378-F428 HydrophobicContact CG1-CE2 3.87Å; I378-F428 HydrophobicContact CG1-CZ 3.71Å; F415-F428 CarbonylContact C-O 3.55Å; F415-F428 WeakPolarHBondContact CA-O 3.48Å; S416-F428 PolarHBondContact N-O 3.38Å; S416-F428 PolarHBondContact O-N 3.19Å; Q418-F428 HydrophobicContact CG-CE2 4.32Å; T426-F428 HydrophobicContact CG2-CZ 4.29Å; F428-F430 HydrophobicContact CB-CD2 4.22Å; F428-F430 HydrophobicContact CB-CE2 3.45Å; F428-F430 VanDerWaalsContact CB-CE2 3.45Å; F428-F430 HydrophobicContact CB-CZ 4.11Å; F428-F430 HydrophobicContact CG-CE2 4.41Å; F428-Y525 HydrophobicContact CB-CE2 4.3Å; F428-Y525 AromaticContact CD1-CE2 3.95Å; F428-Y525 HydrophobicContact CD1-CE2 3.95Å; F428-Y525 WeakPolarHBondContact CD1-OH 3.35Å; F428-L527 HydrophobicContact CD1-CD1 3.75Å; F428-L527 HydrophobicContact CE1-CD1 3.64Å; F428-L527 HydrophobicContact CZ-CD1 4.4Å
429	I	69.7	Low	67.1	Low	3 Å²	3	46.7 Å²	46.7	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.2	172.9	-71.8	-176.6	0	0	0	108.8	F415 L439 V443 T446 L447 V526 I528	F415-I429 HydrophobicContact CB-CD1 4.44Å; F415-I429 HydrophobicContact CB-CG1 4.03Å; I429-L439 HydrophobicContact CG2-CD1 4.45Å; I429-V443 HydrophobicContact CB-CG2 4.38Å; I429-V443 HydrophobicContact CD1-CG2 4.15Å; I429-V443 HydrophobicContact CG2-CG2 4.13Å; I429-T446 HydrophobicContact CD1-CG2 4.38Å; I429-L447 HydrophobicContact CD1-CD1 4.38Å; I429-L447 HydrophobicContact CD1-CD2 4.44Å; I429-L447 HydrophobicContact CD1-CG 4.35Å; I429-V526 PolarHBondContact N-O 3.14Å; I429-V526 PolarHBondContact O-N 2.89Å; I429-I528 HydrophobicContact CB-CD1 3.9Å; I429-I528 HydrophobicContact CD1-CD1 3.64Å; I429-I528 HydrophobicContact CG1-CD1 3.66Å
430	F	70.6	Confident	68.3	Low	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.4	-179.6	-62.1	-95.8	0	0	0	109.7	R381 L382 V414 F428 Y525	R381-F430 HydrophobicContact CB-CD2 3.53Å; R381-F430 HydrophobicContact CB-CE1 4.37Å; R381-F430 HydrophobicContact CB-CE2 3.31Å; R381-F430 HydrophobicContact CB-CG 4.14Å; R381-F430 HydrophobicContact CB-CZ 3.78Å; R381-F430 HydrophobicContact CG-CD2 4.45Å; R381-F430 HydrophobicContact CG-CE2 4.33Å; R381-F430 VanDerWaalsContact O-CD1 3.32Å; R381-F430 WeakPolarHBondContact O-CD1 3.4Å; L382-F430 HydrophobicContact CB-CE1 4.28Å; L382-F430 HydrophobicContact CD1-CE1 4.09Å; V414-F430 PolarHBondContact N-O 3.07Å; V414-F430 PolarHBondContact O-N 3.22Å; V414-F430 VanDerWaalsContact O-N 3.11Å; F428-F430 HydrophobicContact CB-CD2 4.22Å; F428-F430 HydrophobicContact CB-CE2 3.45Å; F428-F430 VanDerWaalsContact CB-CE2 3.45Å; F428-F430 HydrophobicContact CB-CZ 4.11Å; F428-F430 HydrophobicContact CG-CE2 4.41Å; F430-Y525 AromaticContact CD1-CD2 3.63Å; F430-Y525 HydrophobicContact CD1-CD2 3.63Å; F430-Y525 HydrophobicContact CD1-CE2 4.37Å; F430-Y525 HydrophobicContact CD1-CG 4.43Å; F430-Y525 AromaticContact CE1-CD2 3.32Å; F430-Y525 HydrophobicContact CE1-CD2 3.32Å; F430-Y525 AromaticContact CE1-CE2 3.67Å; F430-Y525 HydrophobicContact CE1-CE2 3.67Å; F430-Y525 HydrophobicContact CE1-CG 4.25Å; F430-Y525 HydrophobicContact CE2-CD2 4.3Å; F430-Y525 HydrophobicContact CE2-CE2 4.22Å; F430-Y525 HydrophobicContact CG-CD2 4.24Å; F430-Y525 AromaticContact CZ-CD2 3.72Å; F430-Y525 HydrophobicContact CZ-CD2 3.72Å; F430-Y525 AromaticContact CZ-CE2 3.59Å; F430-Y525 HydrophobicContact CZ-CE2 3.59Å
431	K	70.3	Confident	69.4	Low	4 Å²	4	41 Å²	41	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.9	173	176.5	-163.8	168.9	-151.3	0	108.2	F435 T437 L439 S523 N524	K431-F435 HydrophobicContact CD-CB 4.46Å; K431-F435 WeakPolarHBondContact CE-O 3.29Å; K431-F435 HydrophobicContact CG-CB 4.06Å; K431-F435 HydrophobicContact CG-CD2 4.48Å; K431-F435 PolarHBondContact NZ-O 3.16Å; K431-T437 VanDerWaalsContact CE-O 3.25Å; K431-T437 WeakPolarHBondContact CE-O 3.43Å; K431-T437 PolarHBondContact NZ-O 3Å; K431-L439 HydrophobicContact CB-CD1 3.78Å; K431-L439 HydrophobicContact CD-CB 4.19Å; K431-L439 HydrophobicContact CD-CD1 4.39Å; K431-S523 WeakPolarHBondContact O-CA 3.18Å; K431-S523 PolarHBondContact O-OG 2.95Å; K431-N524 WeakPolarHBondContact CB-O 3.21Å; K431-N524 PolarHBondContact N-O 3.37Å; K431-N524 PolarHBondContact O-N 3.34Å
432	H	68.3	Low	70.6	Confident	37 Å²	37	37.3 Å²	37.3	17%	0.171	20%	0.201	C	C	.	.			trans	-58.7	145	173.7	177.7	-99.2	0	0	0	111.3	Y384 R412 S434 F435	Y384-H432 HydrophobicContact CD1-CB 4.37Å; R412-H432 PolarHBondContact NH2-CE1 2.9Å; R412-H432 PolarHBondContact NH2-ND1 3.34Å; H432-S434 VanDerWaalsContact C-N 3.32Å; H432-S434 PolarHBondContact ND1-N 3.19Å; H432-S434 VanDerWaalsContact ND1-N 3.17Å; H432-S434 PolarHBondContact ND1-OG 3.26Å; H432-S434 PolarHBondContact O-N 3.49Å; H432-F435 HydrophobicContact CB-CD2 4.1Å; H432-F435 HydrophobicContact CB-CE2 4.24Å; H432-F435 WeakPolarHBondContact O-CD2 3.41Å; H432-F435 PolarHBondContact O-N 3.46Å
433	Q	65.2	Low	71.7	Confident	95 Å²	95	31.5 Å²	31.5	44%	0.444	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-48.8	-177.2	41.8	178.3	-1.8	0	0	114.1	F435 G521	Q433-F435 PolarHBondContact O-N 2.93Å; Q433-G521 CarbonylContact C-O 3.41Å; Q433-G521 VanDerWaalsContact C-O 3.23Å; Q433-G521 WeakPolarHBondContact CA-O 3.14Å; Q433-G521 WeakPolarHBondContact CB-O 3.23Å; Q433-G521 CarbonylContact O-C 3.56Å; Q433-G521 WeakPolarHBondContact O-CA 3.29Å
434	S	64.7	Low	72.8	Confident	75 Å²	75	28 Å²	28	52%	0.524	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	16.6	-174.9	90.9	0	0	0	0	116.5	R412 H432	R412-S434 PolarHBondContact NH1-OG 3.33Å; R412-S434 PolarHBondContact NH2-OG 3.07Å; H432-S434 VanDerWaalsContact C-N 3.32Å; H432-S434 PolarHBondContact ND1-N 3.19Å; H432-S434 VanDerWaalsContact ND1-N 3.17Å; H432-S434 PolarHBondContact ND1-OG 3.26Å; H432-S434 PolarHBondContact O-N 3.49Å
435	F	67.6	Low	73.8	Confident	58 Å²	58	29.1 Å²	29.1	25%	0.254	16%	0.164	S	C	.	.			trans	-101.8	115.2	170.8	-76.5	-74.9	0	0	0	110.2	R412 K431 H432 Q433 T437	R412-F435 HydrophobicContact CB-CE2 3.6Å; R412-F435 HydrophobicContact CB-CZ 3.56Å; R412-F435 HydrophobicContact CG-CE2 3.71Å; R412-F435 HydrophobicContact CG-CZ 4.01Å; K431-F435 HydrophobicContact CD-CB 4.46Å; K431-F435 WeakPolarHBondContact CE-O 3.29Å; K431-F435 HydrophobicContact CG-CB 4.06Å; K431-F435 HydrophobicContact CG-CD2 4.48Å; K431-F435 PolarHBondContact NZ-O 3.16Å; H432-F435 HydrophobicContact CB-CD2 4.1Å; H432-F435 HydrophobicContact CB-CE2 4.24Å; H432-F435 WeakPolarHBondContact O-CD2 3.41Å; H432-F435 PolarHBondContact O-N 3.46Å; Q433-F435 PolarHBondContact O-N 2.93Å; F435-T437 PolarHBondContact O-N 3Å; F435-T437 VanDerWaalsContact O-N 3.08Å
436	N	74.1	Confident	74.5	Confident	94 Å²	94	29.6 Å²	29.6	50%	0.503	17%	0.166	S	C	.	.			trans	-87.1	58.7	173.7	-166.1	-7.1	0	0	0	110.7	M518 E519	N436-M518 WeakPolarHBondContact O-CE 3.4Å; N436-M518 VanDerWaalsContact OD1-CB 3.23Å; N436-M518 WeakPolarHBondContact OD1-CB 3.14Å; N436-M518 PolarHBondContact OD1-O 3.26Å; N436-E519 WeakPolarHBondContact OD1-CA 3.24Å; N436-E519 PolarHBondContact OD1-N 3.01Å
437	T	76.5	Confident	75	Confident	42 Å²	42	31.6 Å²	31.6	26%	0.258	18%	0.176	S	C	.	.	S	Bend	trans	-130.7	154.8	-175.5	61.9	0	0	0	0	113.1	K431 F435 L439 E442	K431-T437 VanDerWaalsContact CE-O 3.25Å; K431-T437 WeakPolarHBondContact CE-O 3.43Å; K431-T437 PolarHBondContact NZ-O 3Å; F435-T437 PolarHBondContact O-N 3Å; F435-T437 VanDerWaalsContact O-N 3.08Å; T437-L439 PolarHBondContact O-N 3.41Å; T437-E442 WeakPolarHBondContact CB-OE1 3.46Å; T437-E442 WeakPolarHBondContact CG2-OE1 3.41Å; T437-E442 PolarHBondContact OG1-OE1 2.89Å
438	D	81.1	Confident	75.9	Confident	14 Å²	14	36 Å²	36	8%	0.075	21%	0.206	C	C	.	.			trans	-68.7	115.3	174.6	170.6	22.9	0	0	0	110.6	A440 S441 E442 L465 I475 R513 M518	D438-A440 PolarHBondContact O-N 3.19Å; D438-A440 WeakPolarHBondContact OD1-CB 3.45Å; D438-A440 PolarHBondContact OD1-N 3.49Å; D438-S441 WeakPolarHBondContact CB-OG 3.43Å; D438-S441 WeakPolarHBondContact O-CA 3.36Å; D438-S441 WeakPolarHBondContact O-CB 3.43Å; D438-S441 PolarHBondContact O-N 3.01Å; D438-S441 PolarHBondContact OD2-N 3.14Å; D438-S441 PolarHBondContact OD2-OG 3.13Å; D438-E442 PolarHBondContact O-N 2.62Å; D438-L465 HydrophobicContact CB-CD1 3.67Å; D438-I475 WeakPolarHBondContact OD2-CD1 3.34Å; D438-R513 IonicContact OD1-NE 2.64Å; D438-R513 PolarHBondContact OD1-NE 2.87Å; D438-R513 IonicContact OD2-CZ 3.7Å; D438-R513 VanDerWaalsContact OD2-CZ 3.28Å; D438-R513 IonicContact OD2-NE 2.68Å; D438-R513 PolarHBondContact OD2-NE 2.81Å; D438-R513 IonicContact OD2-NH2 3.91Å; D438-R513 PolarHBondContact OD2-NH2 3.26Å; D438-M518 HydrophobicContact CB-SD 3.94Å
439	L	79.2	Confident	76.6	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-29.8	-179.2	175.8	59.9	0	0	0	113	I429 K431 T437 S441 E442 V443 N524 V526	I429-L439 HydrophobicContact CG2-CD1 4.45Å; K431-L439 HydrophobicContact CB-CD1 3.78Å; K431-L439 HydrophobicContact CD-CB 4.19Å; K431-L439 HydrophobicContact CD-CD1 4.39Å; T437-L439 PolarHBondContact O-N 3.41Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 2.92Å; L439-E442 PolarHBondContact O-N 3.05Å; L439-V443 HydrophobicContact CD1-CG2 4.34Å; L439-V443 WeakPolarHBondContact O-CG2 3.47Å; L439-V443 PolarHBondContact O-N 2.88Å; L439-V443 VanDerWaalsContact O-N 3.14Å; L439-N524 HydrophobicContact CD2-CB 3.42Å; L439-N524 VanDerWaalsContact CD2-CB 3.42Å; L439-V526 HydrophobicContact CD1-CG2 3.82Å; L439-V526 HydrophobicContact CD2-CG2 3.46Å; L439-V526 VanDerWaalsContact CD2-CG2 3.46Å; L439-V526 HydrophobicContact CG-CG2 3.49Å; L439-V526 VanDerWaalsContact CG-CG2 3.49Å
440	A	83.4	Confident	77.5	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-28.9	172.7	0	0	0	0	0	111.8	D438 A444 L451 V453 I475 R513	D438-A440 PolarHBondContact O-N 3.19Å; D438-A440 WeakPolarHBondContact OD1-CB 3.45Å; D438-A440 PolarHBondContact OD1-N 3.49Å; A440-A444 WeakPolarHBondContact O-CB 3.49Å; A440-A444 PolarHBondContact O-N 3.23Å; A440-L451 HydrophobicContact CB-CD1 4.38Å; A440-L451 WeakPolarHBondContact O-CD1 3.25Å; A440-V453 HydrophobicContact CB-CG2 4.11Å; A440-I475 HydrophobicContact CB-CG2 4.38Å; A440-R513 HydrophobicContact CB-CG 4.08Å
441	S	82.9	Confident	78.4	Confident	7 Å²	7	40.6 Å²	40.6	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-43.8	171.7	-69.8	0	0	0	0	112.3	D438 L439 V443 A444 S445 R473 I475	D438-S441 WeakPolarHBondContact CB-OG 3.43Å; D438-S441 WeakPolarHBondContact O-CA 3.36Å; D438-S441 WeakPolarHBondContact O-CB 3.43Å; D438-S441 PolarHBondContact O-N 3.01Å; D438-S441 PolarHBondContact OD2-N 3.14Å; D438-S441 PolarHBondContact OD2-OG 3.13Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 2.92Å; S441-V443 PolarHBondContact O-N 3.37Å; S441-A444 PolarHBondContact O-N 2.69Å; S441-S445 VanDerWaalsContact O-CB 3.3Å; S441-S445 WeakPolarHBondContact O-CB 3.27Å; S441-S445 PolarHBondContact O-N 2.97Å; S441-R473 PolarHBondContact OG-NH1 3.26Å; S441-I475 VanDerWaalsContact CA-CD1 3.49Å; S441-I475 WeakPolarHBondContact OG-CD1 3.44Å
442	E	79.2	Confident	79.3	Confident	46 Å²	46	41.2 Å²	41.2	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-46.8	177.4	-58.9	-55.3	157.7	0	0	111.2	T437 D438 L439 S445 T446	T437-E442 WeakPolarHBondContact CB-OE1 3.46Å; T437-E442 WeakPolarHBondContact CG2-OE1 3.41Å; T437-E442 PolarHBondContact OG1-OE1 2.89Å; D438-E442 PolarHBondContact O-N 2.62Å; L439-E442 PolarHBondContact O-N 3.05Å; E442-S445 PolarHBondContact O-N 3.17Å; E442-T446 WeakPolarHBondContact O-CB 3.21Å; E442-T446 PolarHBondContact O-N 3.47Å; E442-T446 PolarHBondContact O-OG1 3.49Å
443	V	80.7	Confident	80.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-44.4	177.6	176.4	0	0	0	0	111.7	I429 L439 S441 S445 L447 L451 M505 V526 I528	I429-V443 HydrophobicContact CB-CG2 4.38Å; I429-V443 HydrophobicContact CD1-CG2 4.15Å; I429-V443 HydrophobicContact CG2-CG2 4.13Å; L439-V443 HydrophobicContact CD1-CG2 4.34Å; L439-V443 WeakPolarHBondContact O-CG2 3.47Å; L439-V443 PolarHBondContact O-N 2.88Å; L439-V443 VanDerWaalsContact O-N 3.14Å; S441-V443 PolarHBondContact O-N 3.37Å; V443-S445 VanDerWaalsContact C-N 3.33Å; V443-S445 PolarHBondContact O-N 3Å; V443-L447 HydrophobicContact CG1-CD1 3.89Å; V443-L447 WeakPolarHBondContact O-CB 3.44Å; V443-L447 PolarHBondContact O-N 3.15Å; V443-L447 VanDerWaalsContact O-N 3.13Å; V443-L451 HydrophobicContact CB-CD1 4.4Å; V443-L451 HydrophobicContact CG1-CD1 4.3Å; V443-M505 HydrophobicContact CG1-CE 4.37Å; V443-V526 HydrophobicContact CG2-CB 4.05Å; V443-V526 HydrophobicContact CG2-CG1 4.28Å; V443-V526 HydrophobicContact CG2-CG2 3.72Å; V443-I528 HydrophobicContact CG1-CD1 4.06Å; V443-I528 HydrophobicContact CG1-CG1 4.04Å; V443-I528 HydrophobicContact CG2-CD1 4.27Å
444	A	84	Confident	81.4	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-42.6	179.2	0	0	0	0	0	112.1	A440 S441 S448 R449 L451 R473 I475	A440-A444 WeakPolarHBondContact O-CB 3.49Å; A440-A444 PolarHBondContact O-N 3.23Å; S441-A444 PolarHBondContact O-N 2.69Å; A444-S448 CarbonylContact O-C 3.23Å; A444-S448 WeakPolarHBondContact O-CA 3.48Å; A444-S448 PolarHBondContact O-N 3.35Å; A444-S448 VanDerWaalsContact O-N 3.16Å; A444-R449 WeakPolarHBondContact CA-O 3.46Å; A444-R449 PolarHBondContact O-N 3.5Å; A444-L451 HydrophobicContact CB-CD1 4.01Å; A444-L451 HydrophobicContact CB-CG 3.91Å; A444-R473 HydrophobicContact CB-CG 4.37Å; A444-I475 HydrophobicContact CB-CG1 4.22Å
445	S	81.8	Confident	82.5	Confident	66 Å²	66	31.9 Å²	31.9	46%	0.462	18%	0.18	S	C	.	.	H	α-helix	trans	-71.7	-53.6	179.4	-161.6	0	0	0	0	111.5	S441 E442 V443 L447 S448	S441-S445 VanDerWaalsContact O-CB 3.3Å; S441-S445 WeakPolarHBondContact O-CB 3.27Å; S441-S445 PolarHBondContact O-N 2.97Å; E442-S445 PolarHBondContact O-N 3.17Å; V443-S445 VanDerWaalsContact C-N 3.33Å; V443-S445 PolarHBondContact O-N 3Å; S445-L447 PolarHBondContact O-N 2.88Å; S445-S448 PolarHBondContact O-N 3.28Å
446	T	78.5	Confident	83.4	Confident	55 Å²	55	29.4 Å²	29.4	34%	0.337	17%	0.17	S	C	.	.	H	α-helix	trans	-58.1	-36.6	-176.5	-56.7	0	0	0	0	112.4	I429 E442	I429-T446 HydrophobicContact CD1-CG2 4.38Å; E442-T446 WeakPolarHBondContact O-CB 3.21Å; E442-T446 PolarHBondContact O-N 3.47Å; E442-T446 PolarHBondContact O-OG1 3.49Å
447	L	80.1	Confident	83.7	Confident	45 Å²	45	26.5 Å²	26.5	24%	0.236	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	0.7	179.7	-55.4	-179.4	0	0	0	113.2	I429 V443 S445 R449 M505 I528	I429-L447 HydrophobicContact CD1-CD1 4.38Å; I429-L447 HydrophobicContact CD1-CD2 4.44Å; I429-L447 HydrophobicContact CD1-CG 4.35Å; V443-L447 HydrophobicContact CG1-CD1 3.89Å; V443-L447 WeakPolarHBondContact O-CB 3.44Å; V443-L447 PolarHBondContact O-N 3.15Å; V443-L447 VanDerWaalsContact O-N 3.13Å; S445-L447 PolarHBondContact O-N 2.88Å; L447-R449 HydrophobicContact CB-CB 4.43Å; L447-R449 HydrophobicContact CB-CG 4.13Å; L447-R449 VanDerWaalsContact O-CD 3.25Å; L447-R449 WeakPolarHBondContact O-CD 3.44Å; L447-R449 VanDerWaalsContact O-CG 3.25Å; L447-R449 WeakPolarHBondContact O-CG 3.43Å; L447-R449 PolarHBondContact O-N 2.89Å; L447-R449 VanDerWaalsContact O-N 3.14Å; L447-M505 HydrophobicContact CD1-CE 4.02Å; L447-M505 HydrophobicContact CD1-SD 3.47Å; L447-M505 WeakPolarHBondContact CD1-SD 3.3Å; L447-I528 HydrophobicContact CD1-CD1 4.33Å; L447-I528 HydrophobicContact CD1-CG1 4.15Å; L447-I528 HydrophobicContact CD1-CG2 4.36Å
448	S	85.4	Confident	83.6	Confident	93 Å²	93	28.9 Å²	28.9	65%	0.65	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.4	-172.3	-60.9	0	0	0	0	113.6	A444 S445	A444-S448 CarbonylContact O-C 3.23Å; A444-S448 WeakPolarHBondContact O-CA 3.48Å; A444-S448 PolarHBondContact O-N 3.35Å; A444-S448 VanDerWaalsContact O-N 3.16Å; S445-S448 PolarHBondContact O-N 3.28Å
449	R	85.4	Confident	83.3	Confident	70 Å²	70	29.2 Å²	29.2	26%	0.264	18%	0.179	S	C	.	.			trans	-115.7	108.3	-175	-63.3	-28.7	-164.2	84.8	3.6	111.1	A444 L447 L451 D504 M505	A444-R449 WeakPolarHBondContact CA-O 3.46Å; A444-R449 PolarHBondContact O-N 3.5Å; L447-R449 HydrophobicContact CB-CB 4.43Å; L447-R449 HydrophobicContact CB-CG 4.13Å; L447-R449 VanDerWaalsContact O-CD 3.25Å; L447-R449 WeakPolarHBondContact O-CD 3.44Å; L447-R449 VanDerWaalsContact O-CG 3.25Å; L447-R449 WeakPolarHBondContact O-CG 3.43Å; L447-R449 PolarHBondContact O-N 2.89Å; L447-R449 VanDerWaalsContact O-N 3.14Å; R449-L451 PolarHBondContact O-N 3.29Å; R449-D504 IonicContact CZ-OD1 2.72Å; R449-D504 IonicContact CZ-OD2 2.62Å; R449-D504 IonicContact NH1-OD1 3.13Å; R449-D504 PolarHBondContact NH1-OD1 3.07Å; R449-D504 IonicContact NH1-OD2 2.72Å; R449-D504 PolarHBondContact NH1-OD2 3.1Å; R449-D504 IonicContact NH2-OD2 2.71Å; R449-D504 PolarHBondContact NH2-OD2 3Å; R449-M505 HydrophobicContact CB-CE 3.86Å; R449-M505 HydrophobicContact CG-CE 4.26Å
450	P	89	Confident	83	Confident	33 Å²	33	32.1 Å²	32.1	21%	0.214	20%	0.197	C	C	.	.			trans	-52.5	133.6	168.2	-30.7	38.6	0	0	0	112.4	S474 S500 K501	P450-S474 CarbonylContact C-O 3.57Å; P450-S474 WeakPolarHBondContact CA-O 3.35Å; P450-S500 CarbonylContact O-C 3.55Å; P450-S500 WeakPolarHBondContact O-CA 3.17Å; P450-K501 HydrophobicContact CB-CB 4.25Å; P450-K501 HydrophobicContact CB-CD 3.66Å; P450-K501 HydrophobicContact CB-CG 3.88Å; P450-K501 PolarHBondContact O-N 3.47Å
451	L	88.5	Confident	82.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	154.4	-175	-60.6	-175.9	0	0	0	112.6	A440 V443 A444 R449 V453 S474 I475 E476 A498 V499 M505	A440-L451 HydrophobicContact CB-CD1 4.38Å; A440-L451 WeakPolarHBondContact O-CD1 3.25Å; V443-L451 HydrophobicContact CB-CD1 4.4Å; V443-L451 HydrophobicContact CG1-CD1 4.3Å; A444-L451 HydrophobicContact CB-CD1 4.01Å; A444-L451 HydrophobicContact CB-CG 3.91Å; R449-L451 PolarHBondContact O-N 3.29Å; L451-V453 HydrophobicContact CB-CG2 4.01Å; L451-S474 PolarHBondContact N-O 2.95Å; L451-I475 WeakPolarHBondContact O-CA 3.35Å; L451-E476 PolarHBondContact O-N 3.37Å; L451-A498 HydrophobicContact CB-CB 4.42Å; L451-A498 HydrophobicContact CD1-CB 4.17Å; L451-V499 CarbonylContact C-O 3.59Å; L451-V499 WeakPolarHBondContact CA-O 3.38Å; L451-M505 HydrophobicContact CD2-CE 3.48Å; L451-M505 VanDerWaalsContact CD2-CE 3.48Å
452	I	89.7	Confident	82.3	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.9	163	-41	178.8	0	0	0	106.7	E476 V478 A498 V499 K501	I452-E476 HydrophobicContact CG1-CB 4.48Å; I452-E476 HydrophobicContact CG2-CB 4.05Å; I452-V478 HydrophobicContact CG2-CG2 3.71Å; I452-A498 VanDerWaalsContact O-CA 3.3Å; I452-A498 WeakPolarHBondContact O-CA 3.27Å; I452-V499 HydrophobicContact CB-CG2 4.09Å; I452-V499 PolarHBondContact N-O 3.03Å; I452-V499 PolarHBondContact O-N 3.2Å; I452-K501 HydrophobicContact CD1-CG 4.21Å; I452-K501 HydrophobicContact CG1-CG 3.87Å
453	V	89.4	Confident	82.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125	-164.8	-172.1	0	0	0	0	111.6	A440 L451 I475 E476 H477 V478 A498 L509 R513	A440-V453 HydrophobicContact CB-CG2 4.11Å; L451-V453 HydrophobicContact CB-CG2 4.01Å; V453-I475 HydrophobicContact CG2-CG2 3.56Å; V453-E476 PolarHBondContact N-O 3.02Å; V453-H477 WeakPolarHBondContact O-CA 3.3Å; V453-V478 PolarHBondContact O-N 3.13Å; V453-A498 HydrophobicContact CB-CB 4.4Å; V453-A498 HydrophobicContact CG1-CB 4.41Å; V453-A498 HydrophobicContact CG2-CB 3.85Å; V453-L509 HydrophobicContact CG1-CD1 3.67Å; V453-R513 HydrophobicContact CG1-CG 4.16Å
454	F	88	Confident	82.4	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109	164.8	-174.4	-85.8	0	0	0	108.4	V478 A481 W488 P490 A495 S496 W497	F454-V478 HydrophobicContact CB-CB 3.94Å; F454-V478 HydrophobicContact CB-CG1 4.44Å; F454-V478 HydrophobicContact CB-CG2 4.07Å; F454-V478 HydrophobicContact CD2-CB 4Å; F454-V478 HydrophobicContact CD2-CG1 3.79Å; F454-V478 HydrophobicContact CG-CB 4.48Å; F454-A481 HydrophobicContact CD2-CB 4.34Å; F454-A481 HydrophobicContact CE2-CB 4.22Å; F454-W488 HydrophobicContact CZ-CB 4.35Å; F454-P490 HydrophobicContact CD2-CG 4.02Å; F454-P490 HydrophobicContact CE2-CB 4.37Å; F454-P490 HydrophobicContact CE2-CG 3.81Å; F454-P490 HydrophobicContact CZ-CB 4.47Å; F454-P490 HydrophobicContact CZ-CG 4.35Å; F454-A495 WeakPolarHBondContact CD1-O 3.48Å; F454-S496 CarbonylContact O-C 3.54Å; F454-S496 VanDerWaalsContact O-CA 3.25Å; F454-S496 WeakPolarHBondContact O-CA 3.41Å; F454-W497 HydrophobicContact CB-CD2 3.72Å; F454-W497 HydrophobicContact CB-CE3 4.23Å; F454-W497 HydrophobicContact CB-CG 4.19Å; F454-W497 HydrophobicContact CB-CH2 4.03Å; F454-W497 HydrophobicContact CB-CZ2 3.5Å; F454-W497 VanDerWaalsContact CB-CZ2 3.5Å; F454-W497 HydrophobicContact CB-CZ3 4.36Å; F454-W497 AromaticContact CD1-CD1 3.93Å; F454-W497 AromaticContact CD1-NE1 3.41Å; F454-W497 HydrophobicContact CD2-CZ2 4.05Å; F454-W497 AromaticContact CG-CE2 3.69Å; F454-W497 AromaticContact CG-CZ2 3.79Å; F454-W497 HydrophobicContact CG-CZ2 3.79Å; F454-W497 AromaticContact CG-NE1 3.54Å; F454-W497 PolarHBondContact N-O 3.45Å; F454-W497 PolarHBondContact O-N 3.4Å
455	S	88.1	Confident	82.5	Confident	4 Å²	4	55 Å²	55	3%	0.028	29%	0.288	C	S	.	.			trans	-97	88.2	174.8	-66.4	0	0	0	0	109.7	T457 R464 P490 R513	S455-T457 VanDerWaalsContact C-N 3.34Å; S455-T457 PolarHBondContact O-N 3.04Å; S455-R464 PolarHBondContact O-NH1 2.66Å; S455-P490 WeakPolarHBondContact O-CB 3.49Å; S455-R513 WeakPolarHBondContact OG-CB 3.3Å; S455-R513 PolarHBondContact OG-N 3.39Å
456	G	86	Confident	82.7	Confident	5 Å²	5	58.7 Å²	58.7	5%	0.052	30%	0.302	C	S	.	.			trans	-73.9	79.9	177.3	0	0	0	0	0	111.5	G493 G494 S496	G456-G493 CarbonylContact O-C 3.49Å; G456-G494 CarbonylContact O-C 3.59Å; G456-G494 PolarHBondContact O-N 2.77Å; G456-S496 PolarHBondContact N-OG 3.06Å
457	T	79.8	Confident	82.9	Confident	33 Å²	33	60.6 Å²	60.6	20%	0.202	31%	0.309	C	S	.	.			trans	-137.3	145.4	-176.9	171	0	0	0	0	109.8	S455 A459 R464 P490 H491 T514	S455-T457 VanDerWaalsContact C-N 3.34Å; S455-T457 PolarHBondContact O-N 3.04Å; T457-A459 HydrophobicContact CG2-CB 3.96Å; T457-A459 PolarHBondContact O-N 2.94Å; T457-A459 WeakPolarHBondContact OG1-CB 3.22Å; T457-A459 PolarHBondContact OG1-N 3.1Å; T457-R464 PolarHBondContact O-NH2 2.95Å; T457-P490 PolarHBondContact N-O 2.76Å; T457-H491 WeakPolarHBondContact O-CA 3.13Å; T457-T514 HydrophobicContact CG2-CG2 3.89Å
458	S	75.5	Confident	83.2	Confident	92 Å²	92	59.7 Å²	59.7	64%	0.643	31%	0.305	S	S	*	.			trans	-73.4	0.4	174.8	-50.1	0	0	0	0	113.3	T460	S458-T460 PolarHBondContact O-N 3.25Å
459	A	74.3	Confident	83.1	Confident	22 Å²	22	59.7 Å²	59.7	18%	0.182	30%	0.304	C	S	.	.			trans	-57.3	124.3	176.3	0	0	0	0	0	112	T457 N463 R464 T514	T457-A459 HydrophobicContact CG2-CB 3.96Å; T457-A459 PolarHBondContact O-N 2.94Å; T457-A459 WeakPolarHBondContact OG1-CB 3.22Å; T457-A459 PolarHBondContact OG1-N 3.1Å; A459-N463 HydrophobicContact CB-CB 4.29Å; A459-R464 VanDerWaalsContact O-CZ 3.31Å; A459-R464 PolarHBondContact O-NE 3.28Å; A459-R464 PolarHBondContact O-NH2 2.95Å; A459-T514 HydrophobicContact CB-CG2 3.64Å
460	T	74.3	Confident	82.8	Confident	74 Å²	74	59.5 Å²	59.5	45%	0.454	31%	0.311	S	S	.	.				37.3	115	113.7	156.4	0	0	0	0	117.2	S458 Y462 N463 R464	S458-T460 PolarHBondContact O-N 3.25Å; T460-Y462 VanDerWaalsContact C-N 3.3Å; T460-Y462 PolarHBondContact OG1-N 2.95Å; T460-N463 PolarHBondContact O-N 3.14Å; T460-N463 PolarHBondContact OG1-OD1 2.95Å; T460-R464 WeakPolarHBondContact O-CD 3.39Å; T460-R464 VanDerWaalsContact O-CG 3.29Å; T460-R464 WeakPolarHBondContact O-CG 3.13Å; T460-R464 PolarHBondContact O-N 2.79Å; T460-R464 PolarHBondContact O-NE 3.3Å
461	R	74.1	Confident	82.1	Confident	214 Å²	214	68 Å²	68	81%	0.808	35%	0.345	S	S	*	.	S	Bend	trans	-59.8	-45.6	162.2	-174.8	-175.9	-67.6	-178.7	2.8	110.3	N463 R464	R461-N463 VanDerWaalsContact C-N 3.26Å; R461-N463 PolarHBondContact O-N 2.73Å; R461-R464 PolarHBondContact O-N 2.9Å
462	Y	75.6	Confident	81.2	Confident	199 Å²	199	74.3 Å²	74.3	78%	0.78	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.6	-178.7	-53.5	-65.5	0	0	0	112.9	T460 R464 L515	T460-Y462 VanDerWaalsContact C-N 3.3Å; T460-Y462 PolarHBondContact OG1-N 2.95Å; Y462-R464 VanDerWaalsContact C-N 3.31Å; Y462-L515 WeakPolarHBondContact O-CD1 2.98Å
463	N	81.9	Confident	80.6	Confident	70 Å²	70	77.6 Å²	77.6	37%	0.374	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.1	179.1	-56	44.5	0	0	0	112.7	A459 T460 R461 T514 L515	A459-N463 HydrophobicContact CB-CB 4.29Å; T460-N463 PolarHBondContact O-N 3.14Å; T460-N463 PolarHBondContact OG1-OD1 2.95Å; R461-N463 VanDerWaalsContact C-N 3.26Å; R461-N463 PolarHBondContact O-N 2.73Å; N463-T514 CarbonylContact O-C 3.47Å; N463-T514 WeakPolarHBondContact O-CA 3.18Å; N463-T514 WeakPolarHBondContact O-CB 3.21Å; N463-L515 PolarHBondContact O-N 2.75Å
464	R	81.9	Confident	80.4	Confident	41 Å²	41	78.4 Å²	78.4	16%	0.155	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-95.9	147.9	175.1	-73.3	165.9	-167.6	-100.7	-1.1	110.5	S455 T457 A459 T460 R461 Y462 P490 R513	S455-R464 PolarHBondContact O-NH1 2.66Å; T457-R464 PolarHBondContact O-NH2 2.95Å; A459-R464 VanDerWaalsContact O-CZ 3.31Å; A459-R464 PolarHBondContact O-NE 3.28Å; A459-R464 PolarHBondContact O-NH2 2.95Å; T460-R464 WeakPolarHBondContact O-CD 3.39Å; T460-R464 VanDerWaalsContact O-CG 3.29Å; T460-R464 WeakPolarHBondContact O-CG 3.13Å; T460-R464 PolarHBondContact O-N 2.79Å; T460-R464 PolarHBondContact O-NE 3.3Å; R461-R464 PolarHBondContact O-N 2.9Å; Y462-R464 VanDerWaalsContact C-N 3.31Å; R464-P490 PolarHBondContact NH1-O 2.82Å; R464-P490 PolarHBondContact NH2-O 3.1Å; R464-R513 WeakPolarHBondContact CA-O 3.06Å
465	L	85.2	Confident	80.5	Confident	15 Å²	15	78 Å²	78	8%	0.079	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-74.5	142.2	175	-51.8	178.4	0	0	0	110.7	D438 H477 R513 L515 M518	D438-L465 HydrophobicContact CB-CD1 3.67Å; L465-H477 PolarHBondContact O-CE1 3.29Å; L465-R513 HydrophobicContact CB-CB 4.16Å; L465-R513 HydrophobicContact CD1-CB 3.97Å; L465-R513 HydrophobicContact CG-CB 4.16Å; L465-R513 PolarHBondContact N-O 3.06Å; L465-R513 VanDerWaalsContact N-O 3.12Å; L465-R513 PolarHBondContact O-NH1 3.45Å; L465-L515 HydrophobicContact CD2-CB 4.49Å; L465-L515 HydrophobicContact CD2-CD2 3.69Å; L465-L515 HydrophobicContact CD2-CG 4.06Å; L465-M518 HydrophobicContact CD1-CG 3.88Å; L465-M518 HydrophobicContact CD1-SD 3.44Å; L465-M518 WeakPolarHBondContact CD1-SD 3.41Å; L465-M518 HydrophobicContact CD2-CG 4.19Å; L465-M518 HydrophobicContact CD2-SD 3.46Å; L465-M518 WeakPolarHBondContact CD2-SD 3.22Å; L465-M518 HydrophobicContact CG-SD 4.09Å
466	D	85	Confident	80.5	Confident	143 Å²	143	81 Å²	81	77%	0.765	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-68	165.4	178.3	-85.4	-52.9	0	0	0	114.2	V468 R513	D466-V468 PolarHBondContact O-N 2.86Å; D466-R513 PolarHBondContact O-NH1 3.08Å; D466-R513 PolarHBondContact O-NH2 3.34Å; D466-R513 VanDerWaalsContact O-NH2 3.1Å
467	I	84.5	Confident	80.5	Confident	95 Å²	95	83.8 Å²	83.8	49%	0.487	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.4	129.8	169.6	-71.5	174.8	0	0	0	108.6	I475 H477	I467-I475 WeakPolarHBondContact CA-O 3.25Å; I467-I475 WeakPolarHBondContact CG2-O 3.25Å; I467-H477 HydrophobicContact CD1-CB 4.42Å; I467-H477 HydrophobicContact CG1-CB 4.31Å
468	V	85	Confident	80.7	Confident	25 Å²	25	82.7 Å²	82.7	15%	0.152	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.5	178.9	179.9	0	0	0	0	108.4	D466 T470 R473 S474 I475	D466-V468 PolarHBondContact O-N 2.86Å; V468-T470 HydrophobicContact CG1-CG2 4.49Å; V468-R473 HydrophobicContact CG1-CG 4.12Å; V468-S474 CarbonylContact O-C 3.45Å; V468-S474 VanDerWaalsContact O-CA 3.22Å; V468-S474 WeakPolarHBondContact O-CA 3.41Å; V468-I475 HydrophobicContact CB-CB 4.17Å; V468-I475 HydrophobicContact CB-CD1 4.12Å; V468-I475 HydrophobicContact CB-CG1 4.2Å; V468-I475 HydrophobicContact CG2-CD1 4.18Å; V468-I475 PolarHBondContact N-O 2.84Å; V468-I475 VanDerWaalsContact N-O 3.12Å; V468-I475 PolarHBondContact O-N 2.84Å
469	C	83.6	Confident	81	Confident	93 Å²	93	80.1 Å²	80.1	63%	0.628	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	69	177.4	-76.8	0	0	0	0	110.5
470	T	79.8	Confident	81.4	Confident	67 Å²	67	79.1 Å²	79.1	41%	0.411	39%	0.386	S	S	.	.			trans	-96.2	162.7	170.2	48.2	0	0	0	0	110.4	V468 D472 R473	V468-T470 HydrophobicContact CG1-CG2 4.49Å; T470-D472 VanDerWaalsContact C-N 3.26Å; T470-D472 PolarHBondContact O-N 2.97Å; T470-R473 CarbonylContact C-O 3.56Å; T470-R473 PolarHBondContact N-O 3.41Å; T470-R473 CarbonylContact O-C 3.13Å; T470-R473 PolarHBondContact O-N 2.91Å; T470-R473 WeakPolarHBondContact OG1-CB 3.32Å; T470-R473 PolarHBondContact OG1-O 2.86Å
471	K	73.3	Confident	81.7	Confident	210 Å²	210	75.8 Å²	75.8	91%	0.913	37%	0.365	S	S	*	.	S	Bend	trans	-53.4	-43.9	-177.3	-71	-177.9	177.2	179.2	0	112.4
472	D	69.9	Low	81.9	Confident	134 Å²	134	67.8 Å²	67.8	72%	0.717	34%	0.341	S	S	*	.	S	Bend	trans	-99.4	-15.2	-168.6	-34.5	-78.5	0	0	0	112.5	T470	T470-D472 VanDerWaalsContact C-N 3.26Å; T470-D472 PolarHBondContact O-N 2.97Å
473	R	77.2	Confident	81.7	Confident	86 Å²	86	59.5 Å²	59.5	33%	0.325	31%	0.309	S	S	.	.			trans	-141.6	119.9	-176.6	168.7	-175.1	59.8	147.6	-7.5	110.2	S441 A444 V468 T470 I475	S441-R473 PolarHBondContact OG-NH1 3.26Å; A444-R473 HydrophobicContact CB-CG 4.37Å; V468-R473 HydrophobicContact CG1-CG 4.12Å; T470-R473 CarbonylContact C-O 3.56Å; T470-R473 PolarHBondContact N-O 3.41Å; T470-R473 CarbonylContact O-C 3.13Å; T470-R473 PolarHBondContact O-N 2.91Å; T470-R473 WeakPolarHBondContact OG1-CB 3.32Å; T470-R473 PolarHBondContact OG1-O 2.86Å; R473-I475 HydrophobicContact CG-CD1 4.2Å; R473-I475 HydrophobicContact CG-CG1 4.25Å
474	S	86.1	Confident	81.1	Confident	17 Å²	17	60 Å²	60	12%	0.119	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.8	173.9	177.1	0	0	0	0	111.5	P450 L451 V468 K501	P450-S474 CarbonylContact C-O 3.57Å; P450-S474 WeakPolarHBondContact CA-O 3.35Å; L451-S474 PolarHBondContact N-O 2.95Å; V468-S474 CarbonylContact O-C 3.45Å; V468-S474 VanDerWaalsContact O-CA 3.22Å; V468-S474 WeakPolarHBondContact O-CA 3.41Å; S474-K501 PolarHBondContact OG-NZ 3.27Å
475	I	88.9	Confident	80.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	104.6	-174.5	-48.8	171.2	0	0	0	108.3	D438 A440 S441 A444 L451 V453 I467 V468 R473	D438-I475 WeakPolarHBondContact OD2-CD1 3.34Å; A440-I475 HydrophobicContact CB-CG2 4.38Å; S441-I475 VanDerWaalsContact CA-CD1 3.49Å; S441-I475 WeakPolarHBondContact OG-CD1 3.44Å; A444-I475 HydrophobicContact CB-CG1 4.22Å; L451-I475 WeakPolarHBondContact O-CA 3.35Å; V453-I475 HydrophobicContact CG2-CG2 3.56Å; I467-I475 WeakPolarHBondContact CA-O 3.25Å; I467-I475 WeakPolarHBondContact CG2-O 3.25Å; V468-I475 HydrophobicContact CB-CB 4.17Å; V468-I475 HydrophobicContact CB-CD1 4.12Å; V468-I475 HydrophobicContact CB-CG1 4.2Å; V468-I475 HydrophobicContact CG2-CD1 4.18Å; V468-I475 PolarHBondContact N-O 2.84Å; V468-I475 VanDerWaalsContact N-O 3.12Å; V468-I475 PolarHBondContact O-N 2.84Å; R473-I475 HydrophobicContact CG-CD1 4.2Å; R473-I475 HydrophobicContact CG-CG1 4.25Å
476	E	88.2	Confident	80.4	Confident	66 Å²	66	62.6 Å²	62.6	31%	0.308	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	161.6	176.9	-75.5	168.8	-173.1	0	0	111.4	L451 I452 V453 K501	L451-E476 PolarHBondContact O-N 3.37Å; I452-E476 HydrophobicContact CG1-CB 4.48Å; I452-E476 HydrophobicContact CG2-CB 4.05Å; V453-E476 PolarHBondContact N-O 3.02Å; E476-K501 VanDerWaalsContact OE1-CE 3.24Å; E476-K501 WeakPolarHBondContact OE1-CE 3.46Å; E476-K501 IonicContact OE1-NZ 2.68Å; E476-K501 PolarHBondContact OE1-NZ 3.39Å; E476-K501 VanDerWaalsContact OE2-CE 3.3Å; E476-K501 WeakPolarHBondContact OE2-CE 3.49Å; E476-K501 IonicContact OE2-NZ 2.75Å
477	H	86.2	Confident	80.3	Confident	64 Å²	64	60.9 Å²	60.9	30%	0.296	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.9	174.9	-79.4	172.8	0	0	0	112.1	V453 L465 I467 S479 R513	V453-H477 WeakPolarHBondContact O-CA 3.3Å; L465-H477 PolarHBondContact O-CE1 3.29Å; I467-H477 HydrophobicContact CD1-CB 4.42Å; I467-H477 HydrophobicContact CG1-CB 4.31Å; H477-S479 PolarHBondContact O-N 3.2Å; H477-R513 PolarHBondContact NE2-NH1 2.81Å
478	V	84.5	Confident	80.1	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	31%	0.313	C	S	.	.			trans	-70.4	117.4	165.9	-177.9	0	0	0	0	107.9	I452 V453 F454 S480 P490 W497	I452-V478 HydrophobicContact CG2-CG2 3.71Å; V453-V478 PolarHBondContact O-N 3.13Å; F454-V478 HydrophobicContact CB-CB 3.94Å; F454-V478 HydrophobicContact CB-CG1 4.44Å; F454-V478 HydrophobicContact CB-CG2 4.07Å; F454-V478 HydrophobicContact CD2-CB 4Å; F454-V478 HydrophobicContact CD2-CG1 3.79Å; F454-V478 HydrophobicContact CG-CB 4.48Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 WeakPolarHBondContact CG1-O 3.42Å; V478-P490 WeakPolarHBondContact O-CG 3.12Å; V478-W497 HydrophobicContact CG2-CH2 4.13Å; V478-W497 HydrophobicContact CG2-CZ3 4.33Å
479	S	81.4	Confident	80	Confident	38 Å²	38	60.5 Å²	60.5	27%	0.266	32%	0.324	S	S	.	.			trans	-66.2	-37.7	177.7	64.9	0	0	0	0	112.7	E4 N5 H477 P490	E4-S479 PolarHBondContact O-OG 3.46Å; N5-S479 PolarHBondContact OD1-OG 3.04Å; H477-S479 PolarHBondContact O-N 3.2Å; S479-P490 WeakPolarHBondContact O-CD 3.42Å
480	S	82.5	Confident	79.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.			trans	-169.8	160.8	-177.8	60.1	0	0	0	0	110.6	N5 V478 Y487 W488	N5-S480 PolarHBondContact OD1-OG 3.3Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 WeakPolarHBondContact CG1-O 3.42Å; S480-Y487 WeakPolarHBondContact CB-OH 3.41Å; S480-Y487 WeakPolarHBondContact OG-CE2 3.38Å; S480-Y487 PolarHBondContact OG-OH 2.79Å; S480-W488 CarbonylContact C-O 3.44Å; S480-W488 VanDerWaalsContact CA-O 3.23Å; S480-W488 WeakPolarHBondContact CA-O 3.27Å; S480-W488 WeakPolarHBondContact CB-O 3.24Å
481	A	80.2	Confident	79.9	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.8	175.3	0	0	0	0	0	110.7	F454 W488 W497	F454-A481 HydrophobicContact CD2-CB 4.34Å; F454-A481 HydrophobicContact CE2-CB 4.22Å; A481-W488 PolarHBondContact N-O 2.59Å; A481-W488 WeakPolarHBondContact O-CB 3.37Å; A481-W488 PolarHBondContact O-N 2.72Å; A481-W497 HydrophobicContact CB-CZ2 4.15Å
482	T	78.9	Confident	80	Confident	47 Å²	47	51.5 Å²	51.5	29%	0.288	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	102.1	177.2	-54.3	0	0	0	0	110.9	T7 I262 T486	T7-T482 WeakPolarHBondContact CG2-O 3.4Å; I262-T482 WeakPolarHBondContact CB-O 3.43Å; I262-T482 VanDerWaalsContact CG1-O 3.32Å; I262-T482 WeakPolarHBondContact CG1-O 3.24Å; T482-T486 CarbonylContact C-O 3.53Å; T482-T486 WeakPolarHBondContact CA-O 3.48Å
483	I	71.6	Confident	80.3	Confident	24 Å²	24	45.3 Å²	45.3	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.7	-177	-52	179.9	0	0	0	109.3	I262 V264 G485 T486 V549	I262-I483 HydrophobicContact CD1-CG1 4.22Å; I262-I483 HydrophobicContact CD1-CG2 4.36Å; I262-I483 HydrophobicContact CG2-CG2 4.4Å; V264-I483 HydrophobicContact CG2-CG2 3.92Å; I483-G485 PolarHBondContact O-N 2.94Å; I483-G485 VanDerWaalsContact O-N 3.14Å; I483-T486 PolarHBondContact N-O 3.49Å; I483-T486 WeakPolarHBondContact O-CA 3.46Å; I483-T486 VanDerWaalsContact O-CB 3.29Å; I483-T486 WeakPolarHBondContact O-CB 3.37Å; I483-T486 PolarHBondContact O-N 3.08Å; I483-T486 PolarHBondContact O-OG1 3.12Å; I483-V549 HydrophobicContact CG2-CG1 4.47Å
484	N	70.2	Confident	80.5	Confident	80 Å²	80	42 Å²	42	43%	0.428	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	36.6	-176.7	-76.2	5.7	0	0	0	114.3	V264 T486	V264-N484 PolarHBondContact N-OD1 2.85Å; V264-N484 PolarHBondContact O-ND2 3.29Å; V264-N484 PolarHBondContact O-OD1 3.36Å; N484-T486 VanDerWaalsContact C-N 3.27Å; N484-T486 PolarHBondContact O-N 3.22Å
485	G	76.6	Confident	80.4	Confident	66 Å²	66	41.5 Å²	41.5	68%	0.68	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-22.9	-175.9	0	0	0	0	0	114.4	I483 Y487	I483-G485 PolarHBondContact O-N 2.94Å; I483-G485 VanDerWaalsContact O-N 3.14Å; G485-Y487 PolarHBondContact O-N 3.12Å
486	T	75.8	Confident	80.4	Confident	46 Å²	46	41.8 Å²	41.8	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125	171.9	-43.5	0	0	0	0	110.5	T482 I483 N484 W488	T482-T486 CarbonylContact C-O 3.53Å; T482-T486 WeakPolarHBondContact CA-O 3.48Å; I483-T486 PolarHBondContact N-O 3.49Å; I483-T486 WeakPolarHBondContact O-CA 3.46Å; I483-T486 VanDerWaalsContact O-CB 3.29Å; I483-T486 WeakPolarHBondContact O-CB 3.37Å; I483-T486 PolarHBondContact O-N 3.08Å; I483-T486 PolarHBondContact O-OG1 3.12Å; N484-T486 VanDerWaalsContact C-N 3.27Å; N484-T486 PolarHBondContact O-N 3.22Å; T486-W488 HydrophobicContact CG2-CZ2 4.37Å
487	Y	81.5	Confident	80.4	Confident	107 Å²	107	40.1 Å²	40.1	42%	0.42	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.2	177.5	-175.3	-102.7	0	0	0	111.3	S480 G485 M489	S480-Y487 WeakPolarHBondContact CB-OH 3.41Å; S480-Y487 WeakPolarHBondContact OG-CE2 3.38Å; S480-Y487 PolarHBondContact OG-OH 2.79Å; G485-Y487 PolarHBondContact O-N 3.12Å; Y487-M489 HydrophobicContact CD1-CG 4.27Å; Y487-M489 HydrophobicContact CE1-CE 3.69Å; Y487-M489 HydrophobicContact CE1-CG 3.62Å; Y487-M489 HydrophobicContact CE1-SD 4.4Å
488	W	79.9	Confident	80.4	Confident	32 Å²	32	37.1 Å²	37.1	12%	0.121	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.2	-178.5	-71.4	86.6	0	0	0	111.3	A362 F454 S480 A481 T486 A492	A362-W488 HydrophobicContact CB-CD2 4.07Å; A362-W488 HydrophobicContact CB-CE3 3.85Å; A362-W488 HydrophobicContact CB-CH2 3.85Å; A362-W488 HydrophobicContact CB-CZ2 4.05Å; A362-W488 HydrophobicContact CB-CZ3 3.74Å; F454-W488 HydrophobicContact CZ-CB 4.35Å; S480-W488 CarbonylContact C-O 3.44Å; S480-W488 VanDerWaalsContact CA-O 3.23Å; S480-W488 WeakPolarHBondContact CA-O 3.27Å; S480-W488 WeakPolarHBondContact CB-O 3.24Å; A481-W488 PolarHBondContact N-O 2.59Å; A481-W488 WeakPolarHBondContact O-CB 3.37Å; A481-W488 PolarHBondContact O-N 2.72Å; T486-W488 HydrophobicContact CG2-CZ2 4.37Å; W488-A492 HydrophobicContact CE3-CB 4.41Å
489	M	84.2	Confident	80.6	Confident	79 Å²	79	37 Å²	37	39%	0.389	22%	0.216	S	C	.	.			trans	-100.3	143	172.4	-69	-174.8	166.4	0	0	110.7	Y487 H491 A492	Y487-M489 HydrophobicContact CD1-CG 4.27Å; Y487-M489 HydrophobicContact CE1-CE 3.69Å; Y487-M489 HydrophobicContact CE1-CG 3.62Å; Y487-M489 HydrophobicContact CE1-SD 4.4Å; M489-H491 PolarHBondContact O-N 2.94Å; M489-H491 PolarHBondContact SD-CE1 3.31Å; M489-H491 PolarHBondContact SD-NE2 3.01Å; M489-A492 WeakPolarHBondContact O-CB 3.5Å; M489-A492 PolarHBondContact O-N 2.9Å
490	P	81.9	Confident	80.8	Confident	16 Å²	16	35.2 Å²	35.2	10%	0.104	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.2	179.5	-24.8	32.5	0	0	0	116.5	F454 S455 T457 R464 V478 S479	F454-P490 HydrophobicContact CD2-CG 4.02Å; F454-P490 HydrophobicContact CE2-CB 4.37Å; F454-P490 HydrophobicContact CE2-CG 3.81Å; F454-P490 HydrophobicContact CZ-CB 4.47Å; F454-P490 HydrophobicContact CZ-CG 4.35Å; S455-P490 WeakPolarHBondContact O-CB 3.49Å; T457-P490 PolarHBondContact N-O 2.76Å; R464-P490 PolarHBondContact NH1-O 2.82Å; R464-P490 PolarHBondContact NH2-O 3.1Å; V478-P490 WeakPolarHBondContact O-CG 3.12Å; S479-P490 WeakPolarHBondContact O-CD 3.42Å
491	H	78.8	Confident	80.9	Confident	120 Å²	120	38.6 Å²	38.6	56%	0.556	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	1.7	176.5	60.2	-104.3	0	0	0	114.2	T457 M489 G493	T457-H491 WeakPolarHBondContact O-CA 3.13Å; M489-H491 PolarHBondContact O-N 2.94Å; M489-H491 PolarHBondContact SD-CE1 3.31Å; M489-H491 PolarHBondContact SD-NE2 3.01Å; H491-G493 PolarHBondContact O-N 3.01Å
492	A	75.8	Confident	81	Confident	46 Å²	46	43.1 Å²	43.1	38%	0.38	24%	0.239	S	C	.	.	S	Bend	trans	-78	-1.1	172.2	0	0	0	0	0	113.7	W488 M489	W488-A492 HydrophobicContact CE3-CB 4.41Å; M489-A492 WeakPolarHBondContact O-CB 3.5Å; M489-A492 PolarHBondContact O-N 2.9Å
493	G	76.3	Confident	81	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	25%	0.251	C	S	.	.			trans	76.8	-173.8	-173	0	0	0	0	0	113.9	G456 H491	G456-G493 CarbonylContact O-C 3.49Å; H491-G493 PolarHBondContact O-N 3.01Å
494	G	80.3	Confident	81.3	Confident	17 Å²	17	47.8 Å²	47.8	18%	0.175	26%	0.257	C	S	.	.	S	Bend	trans	102.8	-143.7	177.5	0	0	0	0	0	115.4	A362 G456	A362-G494 CarbonylContact O-C 3.56Å; A362-G494 WeakPolarHBondContact O-CA 3.44Å; G456-G494 CarbonylContact O-C 3.59Å; G456-G494 PolarHBondContact O-N 2.77Å
495	A	85.2	Confident	81.7	Confident	7 Å²	7	44.1 Å²	44.1	6%	0.058	24%	0.237	C	C	.	.			trans	-74.3	137.9	-175.5	0	0	0	0	0	111.9	S341 A362 L364 F454	S341-A495 WeakPolarHBondContact OG-CB 3.17Å; A362-A495 WeakPolarHBondContact O-CB 3.49Å; A362-A495 PolarHBondContact O-N 3.04Å; L364-A495 HydrophobicContact CB-CB 3.83Å; F454-A495 WeakPolarHBondContact CD1-O 3.48Å
496	S	87.8	Confident	82.1	Confident	6 Å²	6	41.7 Å²	41.7	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.1	165.6	-64.7	0	0	0	0	110.1	F454 G456 L509 G512	F454-S496 CarbonylContact O-C 3.54Å; F454-S496 VanDerWaalsContact O-CA 3.25Å; F454-S496 WeakPolarHBondContact O-CA 3.41Å; G456-S496 PolarHBondContact N-OG 3.06Å; S496-L509 PolarHBondContact O-N 3.01Å; S496-G512 WeakPolarHBondContact OG-CA 3.27Å; S496-G512 PolarHBondContact OG-N 3.13Å
497	W	88.2	Confident	82.5	Confident	31 Å²	31	39.5 Å²	39.5	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160	-174.5	55.1	-91.4	0	0	0	111.5	V8 F454 V478 A481 V499 F506 C507	V8-W497 HydrophobicContact CG2-CH2 3.98Å; V8-W497 HydrophobicContact CG2-CZ3 3.91Å; F454-W497 HydrophobicContact CB-CD2 3.72Å; F454-W497 HydrophobicContact CB-CE3 4.23Å; F454-W497 HydrophobicContact CB-CG 4.19Å; F454-W497 HydrophobicContact CB-CH2 4.03Å; F454-W497 HydrophobicContact CB-CZ2 3.5Å; F454-W497 VanDerWaalsContact CB-CZ2 3.5Å; F454-W497 HydrophobicContact CB-CZ3 4.36Å; F454-W497 AromaticContact CD1-CD1 3.93Å; F454-W497 AromaticContact CD1-NE1 3.41Å; F454-W497 HydrophobicContact CD2-CZ2 4.05Å; F454-W497 AromaticContact CG-CE2 3.69Å; F454-W497 AromaticContact CG-CZ2 3.79Å; F454-W497 HydrophobicContact CG-CZ2 3.79Å; F454-W497 AromaticContact CG-NE1 3.54Å; F454-W497 PolarHBondContact N-O 3.45Å; F454-W497 PolarHBondContact O-N 3.4Å; V478-W497 HydrophobicContact CG2-CH2 4.13Å; V478-W497 HydrophobicContact CG2-CZ3 4.33Å; A481-W497 HydrophobicContact CB-CZ2 4.15Å; W497-V499 HydrophobicContact CE3-CG1 4.35Å; W497-V499 HydrophobicContact CZ3-CG1 4.17Å; W497-V499 HydrophobicContact CZ3-CG2 4.48Å; W497-F506 HydrophobicContact CB-CE2 3.91Å; W497-F506 HydrophobicContact CB-CZ 3.63Å; W497-F506 HydrophobicContact CD2-CE2 4.17Å; W497-F506 AromaticContact CE3-CE2 3.97Å; W497-F506 HydrophobicContact CE3-CE2 3.97Å; W497-F506 HydrophobicContact CG-CE2 4.18Å; W497-F506 HydrophobicContact CG-CZ 4.2Å; W497-C507 CarbonylContact C-O 3.51Å; W497-C507 WeakPolarHBondContact CA-O 3.2Å; W497-C507 VanDerWaalsContact CB-O 3.27Å; W497-C507 WeakPolarHBondContact CB-O 3.03Å
498	A	87.9	Confident	82.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.2	174.6	0	0	0	0	0	111.9	L451 I452 V453 F506 C507 L509	L451-A498 HydrophobicContact CB-CB 4.42Å; L451-A498 HydrophobicContact CD1-CB 4.17Å; I452-A498 VanDerWaalsContact O-CA 3.3Å; I452-A498 WeakPolarHBondContact O-CA 3.27Å; V453-A498 HydrophobicContact CB-CB 4.4Å; V453-A498 HydrophobicContact CG1-CB 4.41Å; V453-A498 HydrophobicContact CG2-CB 3.85Å; A498-F506 CarbonylContact O-C 3.58Å; A498-C507 HydrophobicContact CB-CB 4.03Å; A498-C507 PolarHBondContact N-O 3.37Å; A498-C507 PolarHBondContact O-N 3.29Å; A498-L509 HydrophobicContact CB-CD1 4.46Å
499	V	87.6	Confident	82.9	Confident	8 Å²	8	33.3 Å²	33.3	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.7	166.9	-69.3	0	0	0	0	110	V8 L451 I452 W497 M505 F506	V8-V499 HydrophobicContact CG1-CG1 4.25Å; V8-V499 HydrophobicContact CG2-CG1 4.15Å; L451-V499 CarbonylContact C-O 3.59Å; L451-V499 WeakPolarHBondContact CA-O 3.38Å; I452-V499 HydrophobicContact CB-CG2 4.09Å; I452-V499 PolarHBondContact N-O 3.03Å; I452-V499 PolarHBondContact O-N 3.2Å; W497-V499 HydrophobicContact CE3-CG1 4.35Å; W497-V499 HydrophobicContact CZ3-CG1 4.17Å; W497-V499 HydrophobicContact CZ3-CG2 4.48Å; V499-M505 CarbonylContact C-O 3.54Å; V499-M505 VanDerWaalsContact CA-O 3.25Å; V499-M505 WeakPolarHBondContact CA-O 3.44Å; V499-F506 HydrophobicContact CG1-CD2 3.88Å
500	S	85.9	Confident	82.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	149.4	167.7	60.2	0	0	0	0	110.6	P450 Q502 K503 D504 M505	P450-S500 CarbonylContact O-C 3.55Å; P450-S500 WeakPolarHBondContact O-CA 3.17Å; S500-Q502 PolarHBondContact O-N 2.89Å; S500-K503 PolarHBondContact O-N 2.81Å; S500-K503 PolarHBondContact OG-N 3.41Å; S500-D504 PolarHBondContact OG-N 3.14Å; S500-D504 PolarHBondContact OG-OD1 2.72Å; S500-M505 PolarHBondContact N-O 3.46Å; S500-M505 PolarHBondContact OG-N 3.41Å; S500-M505 VanDerWaalsContact OG-N 3.13Å
501	K	84.1	Confident	82.5	Confident	72 Å²	72	32.5 Å²	32.5	31%	0.313	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.1	169.7	-70.8	-170.6	-178.9	178.6	0	111.9	P450 I452 S474 E476 K503	P450-K501 HydrophobicContact CB-CB 4.25Å; P450-K501 HydrophobicContact CB-CD 3.66Å; P450-K501 HydrophobicContact CB-CG 3.88Å; P450-K501 PolarHBondContact O-N 3.47Å; I452-K501 HydrophobicContact CD1-CG 4.21Å; I452-K501 HydrophobicContact CG1-CG 3.87Å; S474-K501 PolarHBondContact OG-NZ 3.27Å; E476-K501 VanDerWaalsContact OE1-CE 3.24Å; E476-K501 WeakPolarHBondContact OE1-CE 3.46Å; E476-K501 IonicContact OE1-NZ 2.68Å; E476-K501 PolarHBondContact OE1-NZ 3.39Å; E476-K501 VanDerWaalsContact OE2-CE 3.3Å; E476-K501 WeakPolarHBondContact OE2-CE 3.49Å; E476-K501 IonicContact OE2-NZ 2.75Å; K501-K503 VanDerWaalsContact C-N 3.3Å
502	Q	81.6	Confident	82.7	Confident	99 Å²	99	27.2 Å²	27.2	46%	0.463	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.2	172.8	-64.3	86.1	-8.4	0	0	113.8	S500 D504	S500-Q502 PolarHBondContact O-N 2.89Å; Q502-D504 WeakPolarHBondContact CB-OD1 3.48Å; Q502-D504 PolarHBondContact O-N 2.91Å
503	K	79.7	Confident	83.2	Confident	124 Å²	124	25.4 Å²	25.4	54%	0.539	13%	0.129	S	C	.	.	S	Bend	trans	66.6	13.7	179.8	-50	165.2	178.9	169.2	0	115.9	I260 S500 K501	I260-K503 HydrophobicContact CG2-CD 3.82Å; S500-K503 PolarHBondContact O-N 2.81Å; S500-K503 PolarHBondContact OG-N 3.41Å; K501-K503 VanDerWaalsContact C-N 3.3Å
504	D	77.3	Confident	83.6	Confident	45 Å²	45	25.5 Å²	25.5	24%	0.241	13%	0.129	C	C	.	.	S	Bend	trans	-92.1	-2	175.2	59.6	-8.9	0	0	0	113.7	R449 S500 Q502 L530 T531	R449-D504 IonicContact CZ-OD1 2.72Å; R449-D504 IonicContact CZ-OD2 2.62Å; R449-D504 IonicContact NH1-OD1 3.13Å; R449-D504 PolarHBondContact NH1-OD1 3.07Å; R449-D504 IonicContact NH1-OD2 2.72Å; R449-D504 PolarHBondContact NH1-OD2 3.1Å; R449-D504 IonicContact NH2-OD2 2.71Å; R449-D504 PolarHBondContact NH2-OD2 3Å; S500-D504 PolarHBondContact OG-N 3.14Å; S500-D504 PolarHBondContact OG-OD1 2.72Å; Q502-D504 WeakPolarHBondContact CB-OD1 3.48Å; Q502-D504 PolarHBondContact O-N 2.91Å; D504-L530 CarbonylContact O-C 3.58Å; D504-L530 WeakPolarHBondContact O-CA 3.32Å; D504-T531 CarbonylContact C-O 3.55Å; D504-T531 WeakPolarHBondContact CA-O 3.48Å; D504-T531 PolarHBondContact O-N 2.65Å
505	M	79.2	Confident	83.4	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.4	-178.2	-170.7	168.5	71.9	0	0	111.6	V443 L447 R449 L451 V499 S500 I528 L530	V443-M505 HydrophobicContact CG1-CE 4.37Å; L447-M505 HydrophobicContact CD1-CE 4.02Å; L447-M505 HydrophobicContact CD1-SD 3.47Å; L447-M505 WeakPolarHBondContact CD1-SD 3.3Å; R449-M505 HydrophobicContact CB-CE 3.86Å; R449-M505 HydrophobicContact CG-CE 4.26Å; L451-M505 HydrophobicContact CD2-CE 3.48Å; L451-M505 VanDerWaalsContact CD2-CE 3.48Å; V499-M505 CarbonylContact C-O 3.54Å; V499-M505 VanDerWaalsContact CA-O 3.25Å; V499-M505 WeakPolarHBondContact CA-O 3.44Å; S500-M505 PolarHBondContact N-O 3.46Å; S500-M505 PolarHBondContact OG-N 3.41Å; S500-M505 VanDerWaalsContact OG-N 3.13Å; M505-I528 HydrophobicContact CG-CG2 3.63Å; M505-I528 HydrophobicContact SD-CG1 4.42Å; M505-I528 HydrophobicContact SD-CG2 3.5Å; M505-I528 WeakPolarHBondContact SD-CG2 3.24Å; M505-L530 HydrophobicContact CB-CD2 3.82Å; M505-L530 HydrophobicContact CG-CD2 3.68Å; M505-L530 HydrophobicContact SD-CD2 3.74Å
506	F	84.2	Confident	82.8	Confident	15 Å²	15	30.3 Å²	30.3	7%	0.066	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146	165.9	179.2	-91.7	0	0	0	109.9	Y10 L364 W497 A498 V499 L508 I529	Y10-F506 VanDerWaalsContact OH-CD2 3.24Å; Y10-F506 WeakPolarHBondContact OH-CD2 3.41Å; L364-F506 HydrophobicContact CD2-CE1 3.75Å; L364-F506 HydrophobicContact CD2-CZ 3.5Å; W497-F506 HydrophobicContact CB-CE2 3.91Å; W497-F506 HydrophobicContact CB-CZ 3.63Å; W497-F506 HydrophobicContact CD2-CE2 4.17Å; W497-F506 AromaticContact CE3-CE2 3.97Å; W497-F506 HydrophobicContact CE3-CE2 3.97Å; W497-F506 HydrophobicContact CG-CE2 4.18Å; W497-F506 HydrophobicContact CG-CZ 4.2Å; A498-F506 CarbonylContact O-C 3.58Å; V499-F506 HydrophobicContact CG1-CD2 3.88Å; F506-L508 HydrophobicContact CE1-CB 4.37Å; F506-I529 HydrophobicContact CD1-CD1 4.26Å; F506-I529 PolarHBondContact N-O 3.49Å; F506-I529 PolarHBondContact O-N 3.27Å; F506-I529 VanDerWaalsContact O-O 3.13Å
507	C	84.4	Confident	81.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.6	177.8	-58.4	0	0	0	0	110.1	W497 A498 L509 V526 L527	W497-C507 CarbonylContact C-O 3.51Å; W497-C507 WeakPolarHBondContact CA-O 3.2Å; W497-C507 VanDerWaalsContact CB-O 3.27Å; W497-C507 WeakPolarHBondContact CB-O 3.03Å; A498-C507 HydrophobicContact CB-CB 4.03Å; A498-C507 PolarHBondContact N-O 3.37Å; A498-C507 PolarHBondContact O-N 3.29Å; C507-L509 HydrophobicContact CB-CD2 4.2Å; C507-V526 HydrophobicContact CB-CG1 3.73Å; C507-L527 CarbonylContact C-O 3.54Å; C507-L527 WeakPolarHBondContact CA-O 3.09Å
508	L	85.7	Confident	80.7	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	119	159.6	164.5	62.2	0	0	0	107.8	T339 L364 V366 F506 V526 L527	T339-L508 HydrophobicContact CG2-CD2 3.9Å; L364-L508 HydrophobicContact CB-CD1 4.41Å; L364-L508 HydrophobicContact CD2-CB 4.36Å; L364-L508 HydrophobicContact CD2-CD1 4.11Å; L364-L508 HydrophobicContact CG-CD1 4.47Å; V366-L508 HydrophobicContact CG2-CD2 4.08Å; F506-L508 HydrophobicContact CE1-CB 4.37Å; L508-V526 WeakPolarHBondContact O-CA 3.24Å; L508-L527 HydrophobicContact CB-CB 4.41Å; L508-L527 PolarHBondContact N-O 2.89Å; L508-L527 PolarHBondContact O-N 3.32Å
509	L	84	Confident	79	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.9	176.4	-51.7	174.5	0	0	0	109	V453 S496 A498 C507 Q511 V526	V453-L509 HydrophobicContact CG1-CD1 3.67Å; S496-L509 PolarHBondContact O-N 3.01Å; A498-L509 HydrophobicContact CB-CD1 4.46Å; C507-L509 HydrophobicContact CB-CD2 4.2Å; L509-Q511 VanDerWaalsContact CB-O 3.25Å; L509-Q511 WeakPolarHBondContact CB-O 3Å; L509-Q511 PolarHBondContact O-N 2.68Å; L509-V526 HydrophobicContact CD2-CB 4.33Å; L509-V526 HydrophobicContact CD2-CG1 3.88Å; L509-V526 HydrophobicContact CD2-CG2 3.51Å
510	S	80.3	Confident	77.4	Confident	26 Å²	26	40.2 Å²	40.2	18%	0.182	20%	0.201	C	C	.	.	S	Bend	trans	-65	-23.2	174.1	68.1	0	0	0	0	113.2	S323 Y525	S323-S510 WeakPolarHBondContact O-CB 3.2Å; S323-S510 VanDerWaalsContact OG-CB 3.26Å; S323-S510 WeakPolarHBondContact OG-CB 3.34Å; S323-S510 PolarHBondContact OG-OG 3.36Å; S510-Y525 VanDerWaalsContact CB-O 3.26Å; S510-Y525 WeakPolarHBondContact CB-O 3.4Å; S510-Y525 PolarHBondContact N-O 2.89Å; S510-Y525 PolarHBondContact OG-N 2.81Å; S510-Y525 PolarHBondContact OG-O 3.42Å
511	Q	78.9	Confident	75.6	Confident	53 Å²	53	41 Å²	41	25%	0.248	21%	0.21	C	C	.	.	S	Bend	trans	-141.5	157	178.5	-159	-178.9	29.2	0	0	111.5	L509 N524	L509-Q511 VanDerWaalsContact CB-O 3.25Å; L509-Q511 WeakPolarHBondContact CB-O 3Å; L509-Q511 PolarHBondContact O-N 2.68Å; Q511-N524 PolarHBondContact OE1-ND2 3.14Å; Q511-N524 PolarHBondContact OE1-OD1 2.94Å
512	G	82.3	Confident	74.1	Confident	9 Å²	9	38.2 Å²	38.2	9%	0.093	20%	0.198	C	C	.	.			trans	-81.9	166.4	168.4	0	0	0	0	0	113	S496 T514	S496-G512 WeakPolarHBondContact OG-CA 3.27Å; S496-G512 PolarHBondContact OG-N 3.13Å; G512-T514 PolarHBondContact O-N 3.48Å
513	R	87.2	Confident	72.7	Confident	7 Å²	7	33.7 Å²	33.7	3%	0.026	18%	0.177	C	C	.	.	S	Bend	trans	-74.1	90.4	179.6	-64	-175.4	75.3	-122.2	3.1	111.7	D438 A440 V453 S455 R464 L465 D466 H477	D438-R513 IonicContact OD1-NE 2.64Å; D438-R513 PolarHBondContact OD1-NE 2.87Å; D438-R513 IonicContact OD2-CZ 3.7Å; D438-R513 VanDerWaalsContact OD2-CZ 3.28Å; D438-R513 IonicContact OD2-NE 2.68Å; D438-R513 PolarHBondContact OD2-NE 2.81Å; D438-R513 IonicContact OD2-NH2 3.91Å; D438-R513 PolarHBondContact OD2-NH2 3.26Å; A440-R513 HydrophobicContact CB-CG 4.08Å; V453-R513 HydrophobicContact CG1-CG 4.16Å; S455-R513 WeakPolarHBondContact OG-CB 3.3Å; S455-R513 PolarHBondContact OG-N 3.39Å; R464-R513 WeakPolarHBondContact CA-O 3.06Å; L465-R513 HydrophobicContact CB-CB 4.16Å; L465-R513 HydrophobicContact CD1-CB 3.97Å; L465-R513 HydrophobicContact CG-CB 4.16Å; L465-R513 PolarHBondContact N-O 3.06Å; L465-R513 VanDerWaalsContact N-O 3.12Å; L465-R513 PolarHBondContact O-NH1 3.45Å; D466-R513 PolarHBondContact O-NH1 3.08Å; D466-R513 PolarHBondContact O-NH2 3.34Å; D466-R513 VanDerWaalsContact O-NH2 3.1Å; H477-R513 PolarHBondContact NE2-NH1 2.81Å
514	T	83.2	Confident	71.8	Confident	6 Å²	6	28 Å²	28	4%	0.037	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-123.7	154.3	173.9	62	0	0	0	0	112.5	T457 A459 N463 G512 T516 G517 M518	T457-T514 HydrophobicContact CG2-CG2 3.89Å; A459-T514 HydrophobicContact CB-CG2 3.64Å; N463-T514 CarbonylContact O-C 3.47Å; N463-T514 WeakPolarHBondContact O-CA 3.18Å; N463-T514 WeakPolarHBondContact O-CB 3.21Å; G512-T514 PolarHBondContact O-N 3.48Å; T514-T516 PolarHBondContact OG1-OG1 3.38Å; T514-T516 VanDerWaalsContact OG1-OG1 3.08Å; T514-G517 WeakPolarHBondContact O-CA 3.33Å; T514-G517 PolarHBondContact O-N 3.42Å; T514-G517 PolarHBondContact OG1-N 3.23Å; T514-G517 VanDerWaalsContact OG1-N 3.1Å; T514-M518 PolarHBondContact O-N 3.44Å
515	L	77.1	Confident	71.2	Confident	72 Å²	72	26 Å²	26	38%	0.377	14%	0.142	S	C	.	.	H	α-helix	trans	-55.6	-51.4	173.5	-72.8	170.7	0	0	0	110.4	Y462 N463 L465 G517 M518 E519	Y462-L515 WeakPolarHBondContact O-CD1 2.98Å; N463-L515 PolarHBondContact O-N 2.75Å; L465-L515 HydrophobicContact CD2-CB 4.49Å; L465-L515 HydrophobicContact CD2-CD2 3.69Å; L465-L515 HydrophobicContact CD2-CG 4.06Å; L515-G517 PolarHBondContact O-N 2.99Å; L515-M518 WeakPolarHBondContact O-CA 3.29Å; L515-M518 WeakPolarHBondContact O-CB 3.49Å; L515-M518 PolarHBondContact O-N 3.49Å; L515-E519 WeakPolarHBondContact O-CG 3.06Å; L515-E519 PolarHBondContact O-N 2.87Å
516	T	72.3	Confident	70.3	Confident	53 Å²	53	25.9 Å²	25.9	33%	0.325	14%	0.141	S	C	.	.	H	α-helix	trans	-56.3	-26	173.2	55.3	0	0	0	0	114.3	T514 M518 E519 I520	T514-T516 PolarHBondContact OG1-OG1 3.38Å; T514-T516 VanDerWaalsContact OG1-OG1 3.08Å; T516-M518 VanDerWaalsContact C-N 3.34Å; T516-E519 PolarHBondContact N-OE2 2.97Å; T516-I520 HydrophobicContact CG2-CD1 4.47Å; T516-I520 WeakPolarHBondContact O-CD1 3.01Å; T516-I520 VanDerWaalsContact O-CG1 3.27Å; T516-I520 WeakPolarHBondContact O-CG1 3.16Å; T516-I520 PolarHBondContact O-N 2.69Å
517	G	65.7	Low	69.4	Low	4 Å²	4	25.2 Å²	25.2	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-78.1	-18.5	176.7	0	0	0	0	0	113.9	T514 L515 N524	T514-G517 WeakPolarHBondContact O-CA 3.33Å; T514-G517 PolarHBondContact O-N 3.42Å; T514-G517 PolarHBondContact OG1-N 3.23Å; T514-G517 VanDerWaalsContact OG1-N 3.1Å; L515-G517 PolarHBondContact O-N 2.99Å; G517-N524 PolarHBondContact O-ND2 3.37Å
518	M	66	Low	68.4	Low	44 Å²	44	25.2 Å²	25.2	22%	0.217	14%	0.138	C	C	.	.	H	α-helix	trans	-87.9	-54.4	165.1	-59.2	-178.2	28.8	0	0	110.2	N436 D438 L465 T514 L515 T516 I520 G521	N436-M518 WeakPolarHBondContact O-CE 3.4Å; N436-M518 VanDerWaalsContact OD1-CB 3.23Å; N436-M518 WeakPolarHBondContact OD1-CB 3.14Å; N436-M518 PolarHBondContact OD1-O 3.26Å; D438-M518 HydrophobicContact CB-SD 3.94Å; L465-M518 HydrophobicContact CD1-CG 3.88Å; L465-M518 HydrophobicContact CD1-SD 3.44Å; L465-M518 WeakPolarHBondContact CD1-SD 3.41Å; L465-M518 HydrophobicContact CD2-CG 4.19Å; L465-M518 HydrophobicContact CD2-SD 3.46Å; L465-M518 WeakPolarHBondContact CD2-SD 3.22Å; L465-M518 HydrophobicContact CG-SD 4.09Å; T514-M518 PolarHBondContact O-N 3.44Å; L515-M518 WeakPolarHBondContact O-CA 3.29Å; L515-M518 WeakPolarHBondContact O-CB 3.49Å; L515-M518 PolarHBondContact O-N 3.49Å; T516-M518 VanDerWaalsContact C-N 3.34Å; M518-I520 PolarHBondContact O-N 3.25Å; M518-G521 PolarHBondContact O-N 2.92Å
519	E	53.2	Low	67.4	Low	114 Å²	114	25.3 Å²	25.3	53%	0.533	14%	0.139	S	C	.	.	H	α-helix	trans	-64.9	-42.1	-164.5	-70.5	168.7	149.6	0	0	114.7	N436 L515 T516 G521	N436-E519 WeakPolarHBondContact OD1-CA 3.24Å; N436-E519 PolarHBondContact OD1-N 3.01Å; L515-E519 WeakPolarHBondContact O-CG 3.06Å; L515-E519 PolarHBondContact O-N 2.87Å; T516-E519 PolarHBondContact N-OE2 2.97Å; E519-G521 PolarHBondContact O-N 3.19Å
520	I	53.4	Low	66.4	Low	90 Å²	90	27.2 Å²	27.2	46%	0.462	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	3.6	-176	-52.1	167.2	0	0	0	110.7	T516 M518 L522	T516-I520 HydrophobicContact CG2-CD1 4.47Å; T516-I520 WeakPolarHBondContact O-CD1 3.01Å; T516-I520 VanDerWaalsContact O-CG1 3.27Å; T516-I520 WeakPolarHBondContact O-CG1 3.16Å; T516-I520 PolarHBondContact O-N 2.69Å; M518-I520 PolarHBondContact O-N 3.25Å; I520-L522 HydrophobicContact CB-CD2 3.81Å; I520-L522 HydrophobicContact CB-CG 3.94Å; I520-L522 HydrophobicContact CG2-CD2 3.58Å; I520-L522 HydrophobicContact CG2-CG 4.28Å; I520-L522 PolarHBondContact O-N 3.4Å
521	G	47.1	Very low	65.4	Low	18 Å²	18	26.9 Å²	26.9	19%	0.186	15%	0.145	C	C	.	.			trans	58.7	37.8	178.2	0	0	0	0	0	111.4	Q433 M518 E519 S523	Q433-G521 CarbonylContact C-O 3.41Å; Q433-G521 VanDerWaalsContact C-O 3.23Å; Q433-G521 WeakPolarHBondContact CA-O 3.14Å; Q433-G521 WeakPolarHBondContact CB-O 3.23Å; Q433-G521 CarbonylContact O-C 3.56Å; Q433-G521 WeakPolarHBondContact O-CA 3.29Å; M518-G521 PolarHBondContact O-N 2.92Å; E519-G521 PolarHBondContact O-N 3.19Å; G521-S523 PolarHBondContact O-N 3.03Å
522	L	52.7	Low	64.1	Low	13 Å²	13	31.8 Å²	31.8	7%	0.068	16%	0.163	C	C	.	.			trans	-69.4	131.5	-176	-53.2	171.3	0	0	0	108.5	H321 I520 N524	H321-L522 HydrophobicContact CB-CD2 3.84Å; H321-L522 WeakPolarHBondContact O-CD2 3.19Å; I520-L522 HydrophobicContact CB-CD2 3.81Å; I520-L522 HydrophobicContact CB-CG 3.94Å; I520-L522 HydrophobicContact CG2-CD2 3.58Å; I520-L522 HydrophobicContact CG2-CG 4.28Å; I520-L522 PolarHBondContact O-N 3.4Å; L522-N524 WeakPolarHBondContact CB-OD1 3.46Å; L522-N524 PolarHBondContact O-N 3.3Å
523	S	53.5	Low	62.2	Low	3 Å²	3	37.2 Å²	37.2	2%	0.021	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-75	102.5	170.4	-170.5	0	0	0	0	109.1	Y384 S385 K431 G521	Y384-S523 VanDerWaalsContact O-CB 3.29Å; Y384-S523 WeakPolarHBondContact O-CB 3.42Å; Y384-S523 PolarHBondContact O-OG 3.29Å; S385-S523 WeakPolarHBondContact CA-OG 3.32Å; K431-S523 WeakPolarHBondContact O-CA 3.18Å; K431-S523 PolarHBondContact O-OG 2.95Å; G521-S523 PolarHBondContact O-N 3.03Å
524	N	59.3	Low	59.9	Low	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.7	-173.4	-68.7	-32.1	0	0	0	109.6	S323 K431 L439 Q511 G517 L522	S323-N524 WeakPolarHBondContact CB-OD1 3.07Å; S323-N524 PolarHBondContact OG-OD1 3.31Å; K431-N524 WeakPolarHBondContact CB-O 3.21Å; K431-N524 PolarHBondContact N-O 3.37Å; K431-N524 PolarHBondContact O-N 3.34Å; L439-N524 HydrophobicContact CD2-CB 3.42Å; L439-N524 VanDerWaalsContact CD2-CB 3.42Å; Q511-N524 PolarHBondContact OE1-ND2 3.14Å; Q511-N524 PolarHBondContact OE1-OD1 2.94Å; G517-N524 PolarHBondContact O-ND2 3.37Å; L522-N524 WeakPolarHBondContact CB-OD1 3.46Å; L522-N524 PolarHBondContact O-N 3.3Å
525	Y	65.6	Low	57.5	Low	4 Å²	4	45.2 Å²	45.2	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.6	-167.7	156.1	-102.6	0	0	0	109.9	F337 T339 F428 F430 S510 L527	F337-Y525 VanDerWaalsContact CE1-OH 3.25Å; F337-Y525 WeakPolarHBondContact CE1-OH 3.41Å; T339-Y525 HydrophobicContact CG2-CE1 4.41Å; F428-Y525 HydrophobicContact CB-CE2 4.3Å; F428-Y525 AromaticContact CD1-CE2 3.95Å; F428-Y525 HydrophobicContact CD1-CE2 3.95Å; F428-Y525 WeakPolarHBondContact CD1-OH 3.35Å; F430-Y525 AromaticContact CD1-CD2 3.63Å; F430-Y525 HydrophobicContact CD1-CD2 3.63Å; F430-Y525 HydrophobicContact CD1-CE2 4.37Å; F430-Y525 HydrophobicContact CD1-CG 4.43Å; F430-Y525 AromaticContact CE1-CD2 3.32Å; F430-Y525 HydrophobicContact CE1-CD2 3.32Å; F430-Y525 AromaticContact CE1-CE2 3.67Å; F430-Y525 HydrophobicContact CE1-CE2 3.67Å; F430-Y525 HydrophobicContact CE1-CG 4.25Å; F430-Y525 HydrophobicContact CE2-CD2 4.3Å; F430-Y525 HydrophobicContact CE2-CE2 4.22Å; F430-Y525 HydrophobicContact CG-CD2 4.24Å; F430-Y525 AromaticContact CZ-CD2 3.72Å; F430-Y525 HydrophobicContact CZ-CD2 3.72Å; F430-Y525 AromaticContact CZ-CE2 3.59Å; F430-Y525 HydrophobicContact CZ-CE2 3.59Å; S510-Y525 VanDerWaalsContact CB-O 3.26Å; S510-Y525 WeakPolarHBondContact CB-O 3.4Å; S510-Y525 PolarHBondContact N-O 2.89Å; S510-Y525 PolarHBondContact OG-N 2.81Å; S510-Y525 PolarHBondContact OG-O 3.42Å; Y525-L527 HydrophobicContact CE1-CB 4.27Å
526	V	60.6	Low	55.4	Low	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.2	170.1	-175.1	0	0	0	0	109.7	I429 L439 V443 C507 L508 L509 I528	I429-V526 PolarHBondContact N-O 3.14Å; I429-V526 PolarHBondContact O-N 2.89Å; L439-V526 HydrophobicContact CD1-CG2 3.82Å; L439-V526 HydrophobicContact CD2-CG2 3.46Å; L439-V526 VanDerWaalsContact CD2-CG2 3.46Å; L439-V526 HydrophobicContact CG-CG2 3.49Å; L439-V526 VanDerWaalsContact CG-CG2 3.49Å; V443-V526 HydrophobicContact CG2-CB 4.05Å; V443-V526 HydrophobicContact CG2-CG1 4.28Å; V443-V526 HydrophobicContact CG2-CG2 3.72Å; C507-V526 HydrophobicContact CB-CG1 3.73Å; L508-V526 WeakPolarHBondContact O-CA 3.24Å; L509-V526 HydrophobicContact CD2-CB 4.33Å; L509-V526 HydrophobicContact CD2-CG1 3.88Å; L509-V526 HydrophobicContact CD2-CG2 3.51Å; V526-I528 HydrophobicContact CB-CD1 4.06Å; V526-I528 HydrophobicContact CG1-CD1 3.69Å; V526-I528 HydrophobicContact CG1-CG1 3.77Å
527	L	64.1	Low	53.5	Low	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.2	157.4	177.1	51	0	0	0	108.8	T339 V366 L368 T426 F428 C507 L508 Y525 I529	T339-L527 HydrophobicContact CG2-CB 4.33Å; T339-L527 HydrophobicContact CG2-CD2 3.4Å; V366-L527 HydrophobicContact CB-CD2 3.88Å; V366-L527 HydrophobicContact CG1-CD2 3.6Å; V366-L527 HydrophobicContact CG2-CD2 4.44Å; L368-L527 HydrophobicContact CD1-CD1 4.11Å; L368-L527 HydrophobicContact CD1-CD2 4.07Å; T426-L527 HydrophobicContact CG2-CD1 3.69Å; F428-L527 HydrophobicContact CD1-CD1 3.75Å; F428-L527 HydrophobicContact CE1-CD1 3.64Å; F428-L527 HydrophobicContact CZ-CD1 4.4Å; C507-L527 CarbonylContact C-O 3.54Å; C507-L527 WeakPolarHBondContact CA-O 3.09Å; L508-L527 HydrophobicContact CB-CB 4.41Å; L508-L527 PolarHBondContact N-O 2.89Å; L508-L527 PolarHBondContact O-N 3.32Å; Y525-L527 HydrophobicContact CE1-CB 4.27Å; L527-I529 HydrophobicContact CG-CG1 4.22Å
528	I	63.4	Low	51.7	Low	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.9	167.4	-66.3	105.3	0	0	0	109.1	A427 I429 V443 L447 M505 V526 L530	A427-I528 HydrophobicContact CB-CB 3.97Å; A427-I528 HydrophobicContact CB-CG2 4.16Å; A427-I528 PolarHBondContact N-O 3.15Å; A427-I528 WeakPolarHBondContact O-CA 3.47Å; A427-I528 WeakPolarHBondContact O-CB 3.33Å; A427-I528 PolarHBondContact O-N 3.35Å; A427-I528 VanDerWaalsContact O-O 3.11Å; I429-I528 HydrophobicContact CB-CD1 3.9Å; I429-I528 HydrophobicContact CD1-CD1 3.64Å; I429-I528 HydrophobicContact CG1-CD1 3.66Å; V443-I528 HydrophobicContact CG1-CD1 4.06Å; V443-I528 HydrophobicContact CG1-CG1 4.04Å; V443-I528 HydrophobicContact CG2-CD1 4.27Å; L447-I528 HydrophobicContact CD1-CD1 4.33Å; L447-I528 HydrophobicContact CD1-CG1 4.15Å; L447-I528 HydrophobicContact CD1-CG2 4.36Å; M505-I528 HydrophobicContact CG-CG2 3.63Å; M505-I528 HydrophobicContact SD-CG1 4.42Å; M505-I528 HydrophobicContact SD-CG2 3.5Å; M505-I528 WeakPolarHBondContact SD-CG2 3.24Å; V526-I528 HydrophobicContact CB-CD1 4.06Å; V526-I528 HydrophobicContact CG1-CD1 3.69Å; V526-I528 HydrophobicContact CG1-CG1 3.77Å; I528-L530 HydrophobicContact CG2-CD2 4.33Å; I528-L530 HydrophobicContact CG2-CG 4.16Å
529	I	65.8	Low	50.2	Low	7 Å²	7	66.7 Å²	66.7	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.3	168.9	-41.7	176.6	0	0	0	106	V366 F506 L527 T531 F547	V366-I529 HydrophobicContact CG1-CD1 3.66Å; V366-I529 HydrophobicContact CG2-CD1 4.04Å; F506-I529 HydrophobicContact CD1-CD1 4.26Å; F506-I529 PolarHBondContact N-O 3.49Å; F506-I529 PolarHBondContact O-N 3.27Å; F506-I529 VanDerWaalsContact O-O 3.13Å; L527-I529 HydrophobicContact CG-CG1 4.22Å; I529-T531 HydrophobicContact CB-CG2 4.39Å; I529-T531 HydrophobicContact CG2-CG2 3.79Å; I529-F547 HydrophobicContact CD1-CE1 4Å; I529-F547 HydrophobicContact CD1-CZ 3.78Å
530	L	63.3	Low	49.1	Very low	45 Å²	45	69.8 Å²	69.8	24%	0.236	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.5	169	-62.9	165.4	0	0	0	107	P424 P425 D504 M505 I528	P424-L530 WeakPolarHBondContact CB-O 3.08Å; P425-L530 HydrophobicContact CB-CB 4.47Å; P425-L530 HydrophobicContact CB-CD1 4.11Å; P425-L530 HydrophobicContact CG-CB 3.88Å; P425-L530 HydrophobicContact CG-CD1 4.03Å; P425-L530 VanDerWaalsContact O-CB 3.31Å; P425-L530 WeakPolarHBondContact O-CB 3.43Å; P425-L530 PolarHBondContact O-N 2.89Å; D504-L530 CarbonylContact O-C 3.58Å; D504-L530 WeakPolarHBondContact O-CA 3.32Å; M505-L530 HydrophobicContact CB-CD2 3.82Å; M505-L530 HydrophobicContact CG-CD2 3.68Å; M505-L530 HydrophobicContact SD-CD2 3.74Å; I528-L530 HydrophobicContact CG2-CD2 4.33Å; I528-L530 HydrophobicContact CG2-CG 4.16Å
531	T	58	Low	48.1	Very low	18 Å²	18	70.6 Å²	70.6	11%	0.11	37%	0.368	C	S	.	.			trans	-127.4	134	-174.2	56.6	0	0	0	0	110.6	D504 I529	D504-T531 CarbonylContact C-O 3.55Å; D504-T531 WeakPolarHBondContact CA-O 3.48Å; D504-T531 PolarHBondContact O-N 2.65Å; I529-T531 HydrophobicContact CB-CG2 4.39Å; I529-T531 HydrophobicContact CG2-CG2 3.79Å
532	Y	51.9	Low	47.4	Very low	156 Å²	156	75.2 Å²	75.2	61%	0.612	39%	0.394	S	S	*	.			trans	87.8	142.6	-170.1	-76.9	-97	0	0	0	116.4	F534	Y532-F534 HydrophobicContact CD1-CD2 4.37Å; Y532-F534 HydrophobicContact CD2-CD2 4.15Å; Y532-F534 HydrophobicContact CD2-CE2 4.06Å; Y532-F534 AromaticContact CE1-CD2 3.8Å; Y532-F534 HydrophobicContact CE1-CD2 3.8Å; Y532-F534 HydrophobicContact CE1-CE2 4.4Å; Y532-F534 AromaticContact CE2-CD2 3.55Å; Y532-F534 HydrophobicContact CE2-CD2 3.55Å; Y532-F534 AromaticContact CE2-CE2 3.31Å; Y532-F534 HydrophobicContact CE2-CE2 3.31Å; Y532-F534 HydrophobicContact CE2-CZ 4.21Å; Y532-F534 AromaticContact CZ-CD2 3.34Å; Y532-F534 AromaticContact CZ-CE2 3.52Å
533	P	43.1	Very low	46.7	Very low	124 Å²	124	78.5 Å²	78.5	81%	0.805	42%	0.415	S	S	*	.	S	Bend	cis	-67.1	136.8	-9.3	29.4	-33.9	0	0	0	111.5
534	F	38.3	Very low	46	Very low	102 Å²	102	79.7 Å²	79.7	45%	0.447	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69.1	135.5	169.6	-78.5	-57.4	0	0	0	108.8	Y532 T536	Y532-F534 HydrophobicContact CD1-CD2 4.37Å; Y532-F534 HydrophobicContact CD2-CD2 4.15Å; Y532-F534 HydrophobicContact CD2-CE2 4.06Å; Y532-F534 AromaticContact CE1-CD2 3.8Å; Y532-F534 HydrophobicContact CE1-CD2 3.8Å; Y532-F534 HydrophobicContact CE1-CE2 4.4Å; Y532-F534 AromaticContact CE2-CD2 3.55Å; Y532-F534 HydrophobicContact CE2-CD2 3.55Å; Y532-F534 AromaticContact CE2-CE2 3.31Å; Y532-F534 HydrophobicContact CE2-CE2 3.31Å; Y532-F534 HydrophobicContact CE2-CZ 4.21Å; Y532-F534 AromaticContact CZ-CD2 3.34Å; Y532-F534 AromaticContact CZ-CE2 3.52Å; F534-T536 PolarHBondContact O-N 3.4Å
535	P	33.8	Very low	45.1	Very low	79 Å²	79	83.2 Å²	83.2	51%	0.513	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-59.2	123.5	164.6	-20.2	32.3	0	0	0	109.7	E537	P535-E537 PolarHBondContact O-N 3.02Å
536	T	32.6	Very low	43.6	Very low	137 Å²	137	83.1 Å²	83.1	84%	0.84	44%	0.439	S	S	*	.			trans	-84	105.1	173	48.7	0	0	0	0	110	F534	F534-T536 PolarHBondContact O-N 3.4Å
537	E	31.8	Very low	42.3	Very low	172 Å²	172	87.1 Å²	87.1	80%	0.804	46%	0.457	S	S	*	.	S	Bend	trans	49.9	76.4	147.9	-165.2	166.6	-125.5	0	0	117	P535	P535-E537 PolarHBondContact O-N 3.02Å
538	K	29.2	Very low	41	Very low	195 Å²	195	87.8 Å²	87.8	85%	0.848	46%	0.46	S	S	*	.			trans	-172.3	129.8	145.7	-99.5	145	-169.8	176.5	0	109.9
539	D	34.4	Very low	39.7	Very low	119 Å²	119	89.9 Å²	89.9	64%	0.636	47%	0.473	S	S	*	.			trans	147.5	100.5	154.5	-79.4	-13.9	0	0	0	110.3	L541	D539-L541 PolarHBondContact O-N 2.98Å
540	D	28.6	Very low	38.2	Very low	179 Å²	179	90.4 Å²	90.4	96%	0.957	48%	0.476	S	S	*	.			trans	-74.2	89.5	177.8	-79.8	-61.3	0	0	0	111.9
541	L	32.5	Very low	36.6	Very low	108 Å²	108	91.1 Å²	91.1	57%	0.565	48%	0.478	S	S	*	.			trans	-134.6	139.3	173.5	-83.7	164	0	0	0	111.1	D539 T543	D539-L541 PolarHBondContact O-N 2.98Å; L541-T543 PolarHBondContact O-N 3.44Å
542	P	33.7	Very low	35.1	Very low	114 Å²	114	94.1 Å²	94.1	74%	0.74	49%	0.487	S	S	*	.			trans	-69.5	107.2	-179.8	27.8	-33.7	0	0	0	110.7
543	T	38.2	Very low	33.8	Very low	82 Å²	82	92 Å²	92	50%	0.503	49%	0.486	S	S	.	.			trans	-105.6	160.7	-177	42.3	0	0	0	0	111.7	L541 E545	L541-T543 PolarHBondContact O-N 3.44Å; T543-E545 PolarHBondContact O-N 2.96Å
544	C	37.6	Very low	32.9	Very low	28 Å²	28	94.4 Å²	94.4	19%	0.189	48%	0.484	C	S	.	.			trans	-70.3	121.4	172.2	-162.5	0	0	0	0	111.2	C367 D369 C546	C367-C544 HydrophobicContact CB-CB 4.03Å; C367-C544 WeakPolarHBondContact CB-SG 3.44Å; C367-C544 WeakPolarHBondContact SG-CB 3.49Å; C367-C544 CovalentContact SG-SG 2.04Å; C367-C544 PolarHBondContact SG-SG 2.63Å; D369-C544 WeakPolarHBondContact OD1-CB 3.25Å; D369-C544 PolarHBondContact OD1-N 2.68Å; C544-C546 VanDerWaalsContact C-N 3.27Å; C544-C546 PolarHBondContact O-N 2.78Å
545	E	40.7	Very low	32.2	Very low	78 Å²	78	98.3 Å²	98.3	36%	0.364	50%	0.502	S	S	.	.			trans	-77	-3.9	-171.2	-62.1	177.9	125.2	0	0	114.5	P15 P274 T543 F547	P15-E545 WeakPolarHBondContact CG-OE1 3.34Å; P274-E545 HydrophobicContact CB-CB 3.7Å; P274-E545 WeakPolarHBondContact CB-O 3.22Å; P274-E545 HydrophobicContact CG-CB 3.95Å; P274-E545 WeakPolarHBondContact CG-O 3.41Å; T543-E545 PolarHBondContact O-N 2.96Å; E545-F547 PolarHBondContact O-N 3.39Å
546	C	33.7	Very low	31.6	Very low	3 Å²	3	105.1 Å²	105.1	2%	0.02	52%	0.517	C	S	.	.			trans	-85.8	100.4	-168.9	-55.5	0	0	0	0	114.6	P274 T278 C367 C544	P274-C546 HydrophobicContact CB-CB 4.23Å; P274-C546 PolarHBondContact O-SG 3.19Å; T278-C546 PolarHBondContact OG1-SG 3.17Å; C367-C546 HydrophobicContact CB-CB 3.52Å; C367-C546 PolarHBondContact N-O 3.39Å; C544-C546 VanDerWaalsContact C-N 3.27Å; C544-C546 PolarHBondContact O-N 2.78Å
547	F	33.3	Very low	31.2	Very low	84 Å²	84	102.1 Å²	102.1	37%	0.368	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)		-106.4	134.2	122.3	-86.3	-101.8	0	0	0	108.2	L12 I529 E545	L12-F547 WeakPolarHBondContact CD1-O 3.29Å; L12-F547 HydrophobicContact CD2-CB 4.01Å; L12-F547 WeakPolarHBondContact CD2-O 3.45Å; L12-F547 HydrophobicContact CG-CB 4.46Å; I529-F547 HydrophobicContact CD1-CE1 4Å; I529-F547 HydrophobicContact CD1-CZ 3.78Å; E545-F547 PolarHBondContact O-N 3.39Å
548	H	37.8	Very low	31	Very low	14 Å²	14	101.1 Å²	101.1	7%	0.065	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	125.5	177.9	-141.6	-103.3	0	0	0	112	S273 F365 T550	S273-H548 PolarHBondContact OG-CE1 3.04Å; S273-H548 PolarHBondContact OG-NE2 2.71Å; F365-H548 PolarHBondContact N-O 3.19Å; H548-T550 PolarHBondContact ND1-OG1 3.21Å
549	V	35.6	Very low	30.9	Very low	44 Å²	44	100.8 Å²	100.8	27%	0.267	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	94.2	164.6	179.5	0	0	0	0	106.1	V264 L364 I483 Q551	V264-V549 HydrophobicContact CG1-CB 4.24Å; V264-V549 HydrophobicContact CG2-CG2 4.42Å; L364-V549 HydrophobicContact CD1-CG2 4.11Å; I483-V549 HydrophobicContact CG2-CG1 4.47Å; V549-Q551 PolarHBondContact O-N 3.37Å; V549-Q551 VanDerWaalsContact O-N 3.13Å
550	T	33.5	Very low	30.7	Very low	17 Å²	17	101.1 Å²	101.1	10%	0.104	50%	0.501	C	S	.	.			trans	-79	98	-171.5	-47.5	0	0	0	0	110.6	W354 H548	W354-T550 HydrophobicContact CH2-CG2 4.1Å; W354-T550 HydrophobicContact CZ2-CG2 4.26Å; W354-T550 HydrophobicContact CZ3-CG2 4.22Å; H548-T550 PolarHBondContact ND1-OG1 3.21Å
551	Q	30.3	Very low	30.7	Very low	60 Å²	60	99 Å²	99	28%	0.28	49%	0.49	S	S	.	.			trans	-100.9	125.3	159.6	-74.1	-174.1	3.5	0	0	109.8	V549	V549-Q551 PolarHBondContact O-N 3.37Å; V549-Q551 VanDerWaalsContact O-N 3.13Å
552	R	27.8	Very low	30.5	Very low	81 Å²	81	101.4 Å²	101.4	31%	0.306	50%	0.503	S	S	.	.			trans	-103.8	95	158.1	-83.5	-170.2	-179.4	164.4	6.8	108.8	T359 F554	T359-R552 HydrophobicContact CG2-CB 3.87Å; T359-R552 WeakPolarHBondContact CG2-O 3.43Å; R552-F554 PolarHBondContact O-N 3.39Å
553	L	24.4	Very low	30.4	Very low	113 Å²	113	101.4 Å²	101.4	59%	0.592	50%	0.503	S	S	*	.			trans	-74.6	79.1	167.7	-73.9	170.1	0	0	0	109.6	F555	L553-F555 HydrophobicContact CB-CD2 4.06Å; L553-F555 HydrophobicContact CB-CE2 4.08Å; L553-F555 HydrophobicContact CD1-CE2 4.31Å; L553-F555 HydrophobicContact CD2-CE2 4.28Å; L553-F555 HydrophobicContact CG-CE2 4.46Å; L553-F555 PolarHBondContact O-N 3.42Å
554	F	24	Very low	29.9	Very low	174 Å²	174	105.9 Å²	105.9	76%	0.763	52%	0.524	S	S	*	.			trans	-75.8	78.5	169.4	-124.2	-76.3	0	0	0	109.3	R552 R556	R552-F554 PolarHBondContact O-N 3.39Å; F554-R556 PolarHBondContact O-N 3.11Å
555	F	22.5	Very low	29.6	Very low	184 Å²	184	113.2 Å²	113.2	81%	0.807	55%	0.552	S	S	*	*			trans	-68	83	166.1	-81.3	-81.7	0	0	0	109.6	L553	L553-F555 HydrophobicContact CB-CD2 4.06Å; L553-F555 HydrophobicContact CB-CE2 4.08Å; L553-F555 HydrophobicContact CD1-CE2 4.31Å; L553-F555 HydrophobicContact CD2-CE2 4.28Å; L553-F555 HydrophobicContact CG-CE2 4.46Å; L553-F555 PolarHBondContact O-N 3.42Å
556	R	22.5	Very low	29.1	Very low	221 Å²	221	117.4 Å²	117.4	83%	0.834	58%	0.577	S	S	*	*			trans	-92.6	135.1	151.6	-163.5	170.4	-172	166	2.4	107.4	F554 L558	F554-R556 PolarHBondContact O-N 3.11Å; R556-L558 PolarHBondContact O-N 2.93Å
557	S	23.4	Very low	29	Very low	75 Å²	75	126.5 Å²	126.5	52%	0.524	62%	0.619	S	S	.	*			trans	-55.3	111.2	-178.9	-177.5	0	0	0	0	110.8	K559 D560	S557-K559 VanDerWaalsContact C-N 3.29Å; S557-K559 VanDerWaalsContact OG-CB 3.26Å; S557-K559 WeakPolarHBondContact OG-CB 3.26Å; S557-K559 PolarHBondContact OG-N 3.39Å; S557-D560 WeakPolarHBondContact CB-OD2 3.33Å; S557-D560 PolarHBondContact OG-OD2 3.03Å
558	L	26.6	Very low	28.8	Very low	151 Å²	151	127.2 Å²	127.2	79%	0.791	64%	0.635	S	S	*	*			trans	-99.8	62.8	153.2	-76.1	176	0	0	0	107.8	R556 D561	R556-L558 PolarHBondContact O-N 2.93Å; L558-D561 HydrophobicContact CD2-CB 4.37Å
559	K	28.3	Very low	28.5	Very low	187 Å²	187	134 Å²	134	81%	0.813	67%	0.671	S	S	*	*	S	Bend	trans	-108.3	0.8	165.2	-147.9	-178.2	-179	-169.1	0	111.6	S557	S557-K559 VanDerWaalsContact C-N 3.29Å; S557-K559 VanDerWaalsContact OG-CB 3.26Å; S557-K559 WeakPolarHBondContact OG-CB 3.26Å; S557-K559 PolarHBondContact OG-N 3.39Å
560	D	28.9	Very low	28.4	Very low	126 Å²	126	140.6 Å²	140.6	67%	0.674	73%	0.731	S	S	*	*	S	Bend	trans	-127.3	39.8	-163.6	-48.2	-77.8	0	0	0	110	S557	S557-D560 WeakPolarHBondContact CB-OD2 3.33Å; S557-D560 PolarHBondContact OG-OD2 3.03Å
561	D	30.2	Very low	28.2	Very low	136 Å²	136	146.8 Å²	146.8	73%	0.727	76%	0.762	S	S	*	*			trans	-147.6	44.4	-179.9	-116.5	-27	0	0	0	110.9	L558	L558-D561 HydrophobicContact CD2-CB 4.37Å
562	L	28.6	Very low	28.1	Very low	157 Å²	157	151.3 Å²	151.3	82%	0.822	79%	0.787	S	S	*	*	S	Bend	trans	-125	132.4	162.2	-74.4	175	0	0	0	107.8	N564	L562-N564 PolarHBondContact O-N 2.86Å
563	P	31	Very low	28.1	Very low	115 Å²	115	155.2 Å²	155.2	75%	0.747	81%	0.814	S	S	*	*			trans	-67.6	129.6	179.4	27.6	-33.5	0	0	0	110.2	K565	P563-K565 PolarHBondContact O-N 3.39Å
564	N	27.6	Very low	28.3	Very low	176 Å²	176	157.7 Å²	157.7	94%	0.941	83%	0.827	S	S	*	*			trans	-61.8	97.6	175.3	-94	-10.1	0	0	0	111	L562	L562-N564 PolarHBondContact O-N 2.86Å
565	K	31.2	Very low	28.6	Very low	181 Å²	181	156.7 Å²	156.7	79%	0.787	83%	0.831	S	S	*	*			trans	-138.5	103.4	158.2	-74.7	-170.2	175.6	-174.5	0	106.8	P563	P563-K565 PolarHBondContact O-N 3.39Å
566	D	30.6	Very low	29	Very low	166 Å²	166	154.9 Å²	154.9	89%	0.888	83%	0.833	S	S	*	*			trans	167.3	63.9	142.6	-80.9	-10.1	0	0	0	109.9
567	E	29.9	Very low	29.4	Very low	194 Å²	194	150.1 Å²	150.1	91%	0.907	83%	0.833	S	S	*	*			trans	-123.8	95.9	154	-83.8	-161.1	150.5	0	0	109.2
568	S	29.6	Very low	29.9	Very low	100 Å²	100	155.9 Å²	155.9	70%	0.699	86%	0.857	S	S	*	*			trans	175.8	150.6	137	41.8	0	0	0	0	111.8
569	N	32.2	Very low	30.2	Very low	155 Å²	155	156.3 Å²	156.3	83%	0.829	86%	0.862	S	S	*	*			trans	80.6	66.1	163.9	-42	-60.3	0	0	0	118.7
570	A	33.8	Very low	30.3	Very low	183 Å²	183	153.5 Å²	153.5	100%	1.512	87%	0.867	S	S	*	*				-160.4	0	121.7	0	0	0	0	0	110.6

Retrieved 570 of 570 residues in 327.9 ms (Link to these results)

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