A0A3Q0KIU7_SCHMA Loading...

DRBM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KIU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 761 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	39.3	Very low	235 Å²	235	157.5 Å²	157.5	100%	1.158	84%	0.841	S	S	*	*				0	97.4	0	-81.3	-169.7	179.4	0	0	104.5
2	D	32.3	Very low	39.3	Very low	150 Å²	150	157.1 Å²	157.1	80%	0.802	84%	0.84	S	S	*	*			trans	-102.7	-150.8	-156.7	-56.3	-103.2	0	0	0	107.9
3	V	37.1	Very low	39.6	Very low	128 Å²	128	156.8 Å²	156.8	78%	0.776	83%	0.83	S	S	*	*			trans	81.2	118.9	-179.2	-174.8	0	0	0	0	113.7
4	Q	41.5	Very low	39.8	Very low	169 Å²	169	157.8 Å²	157.8	79%	0.79	82%	0.824	S	S	*	*			cis	-163.7	160.6	-23.7	-128.5	155.1	-43.8	0	0	109.2
5	L	36	Very low	39.8	Very low	164 Å²	164	157.7 Å²	157.7	86%	0.859	83%	0.825	S	S	*	*			trans	-75.2	149.4	161.5	-84.9	73.2	0	0	0	109.7
6	W	47	Very low	39.8	Very low	264 Å²	264	151.7 Å²	151.7	100%	1	81%	0.813	S	S	*	*			trans	-117.8	108.4	153.7	-112	-37.5	0	0	0	110.2
7	D	35	Very low	40.1	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	81%	0.814	S	S	*	*			trans	-85.2	154.3	154.6	176.8	12.5	0	0	0	108
8	G	46	Very low	39.7	Very low	79 Å²	79	151.1 Å²	151.1	81%	0.814	82%	0.815	S	S	*	*			trans	-166.2	65.4	-173	0	0	0	0	0	112.7
9	S	34.8	Very low	39.8	Very low	104 Å²	104	149.2 Å²	149.2	73%	0.727	81%	0.811	S	S	*	*			trans	-84.5	145.1	169.2	-172.3	0	0	0	0	111.9
10	L	42.1	Very low	39.6	Very low	151 Å²	151	148.2 Å²	148.2	79%	0.791	82%	0.816	S	S	*	*			trans	159.8	139.6	168.2	-108.1	75.3	0	0	0	104.9
11	D	43	Very low	39.6	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	81%	0.812	S	S	*	*			cis	-154.6	168.8	-3.7	-102.4	-26.6	0	0	0	110
12	D	39.2	Very low	39.7	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	80%	0.796	S	S	*	*			trans	-75	150	177.3	-73.5	-77.1	0	0	0	115.2
13	E	43.1	Very low	39.9	Very low	153 Å²	153	139.8 Å²	139.8	72%	0.715	80%	0.795	S	S	*	*				-171.5	150.5	116.3	-98.7	-150.8	114.6	0	0	114.7
14	K	41.6	Very low	40.3	Very low	171 Å²	171	139.4 Å²	139.4	74%	0.743	79%	0.793	S	S	*	*			trans	-3.4	157.4	157.2	-52.5	171.5	-173.2	136.9	0	119.8
15	D	40.1	Very low	40.1	Very low	157 Å²	157	140 Å²	140	84%	0.84	80%	0.796	S	S	*	*			cis	-158.4	173.8	17.5	-150.5	-29.7	0	0	0	110.7
16	G	40.5	Very low	40.7	Very low	61 Å²	61	140.8 Å²	140.8	63%	0.629	80%	0.795	S	S	*	*			trans	142.2	73.1	157.5	0	0	0	0	0	121.3
17	T	44.3	Very low	40.4	Very low	137 Å²	137	135 Å²	135	84%	0.84	78%	0.784	S	S	*	*			trans	58.8	108.1	136.4	-45.6	0	0	0	0	121.8
18	N	32.2	Very low	40.9	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	79%	0.786	S	S	*	*			trans	-80.7	161.8	158.1	-72.1	-54.1	0	0	0	111.7
19	P	42.7	Very low	40.5	Very low	115 Å²	115	140.2 Å²	140.2	75%	0.747	78%	0.784	S	S	*	*				-153.4	150	88.1	38.7	-19.2	0	0	0	119
20	S	36.2	Very low	41.2	Very low	129 Å²	129	145 Å²	145	90%	0.902	79%	0.786	S	S	*	*			trans	57.5	122.7	142.3	-58.8	0	0	0	0	122.7
21	G	38.7	Very low	41.4	Very low	72 Å²	72	144.6 Å²	144.6	74%	0.742	79%	0.785	S	S	*	*			trans	-162.6	77.2	169.2	0	0	0	0	0	114.9
22	T	40.4	Very low	41.4	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	79%	0.786	S	S	*	*			trans	40.5	117	157.3	-45	0	0	0	0	120.6	V24	T22-V24 HydrophobicContact CG2-CG2 4.29Å
23	I	37.1	Very low	41.5	Very low	154 Å²	154	144 Å²	144	79%	0.79	79%	0.787	S	S	*	*			trans	-87.3	142.9	162	-63.2	169.2	0	0	0	109.7	E25	I23-E25 HydrophobicContact CG2-CG 4.4Å
24	V	45.5	Very low	41.3	Very low	121 Å²	121	141.8 Å²	141.8	73%	0.733	78%	0.78	S	S	*	*			trans	-140.4	121	160.4	-135.8	0	0	0	0	108.7	T22	T22-V24 HydrophobicContact CG2-CG2 4.29Å
25	E	37.5	Very low	41.4	Very low	182 Å²	182	140.6 Å²	140.6	85%	0.85	79%	0.787	S	S	*	*			trans	-118.2	138.3	166.6	-66.5	-169.6	149.2	0	0	107.8	I23	I23-E25 HydrophobicContact CG2-CG 4.4Å
26	E	46.9	Very low	41.4	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	78%	0.779	S	S	*	*			trans	-123.8	111	175.9	-69.7	-166.7	149.7	0	0	110.4
27	D	40.7	Very low	41.4	Very low	142 Å²	142	141.9 Å²	141.9	76%	0.759	79%	0.789	S	S	*	*			trans	-70.7	138.2	173.6	-98.6	-54.6	0	0	0	112.1
28	F	46.5	Very low	41.3	Very low	188 Å²	188	142 Å²	142	83%	0.825	78%	0.784	S	S	*	*			trans	-142.4	77.4	158.9	-106.3	-77.6	0	0	0	112.5
29	N	38	Very low	42	Very low	144 Å²	144	141.9 Å²	141.9	77%	0.77	78%	0.782	S	S	*	*			trans	-88.2	139.3	164.7	-96.3	-62.7	0	0	0	111.1
30	R	48.5	Very low	41.8	Very low	204 Å²	204	143 Å²	143	77%	0.77	78%	0.782	S	S	*	*			trans	-143.6	117.5	158.8	-81.1	-158.4	179.7	170.9	1.5	113.8
31	D	45.9	Very low	42	Very low	144 Å²	144	142.9 Å²	142.9	77%	0.77	78%	0.776	S	S	*	*			trans	70.1	106.1	136.4	-48.9	-32.3	0	0	0	120.1
32	I	43.9	Very low	42.2	Very low	155 Å²	155	150 Å²	150	80%	0.795	78%	0.78	S	S	*	*			trans	-90.5	168.1	162.5	-31.6	177.2	0	0	0	108.4
33	P	41.2	Very low	42.3	Very low	129 Å²	129	150.7 Å²	150.7	84%	0.838	78%	0.779	S	S	*	*				-132.6	141.6	123	31.9	-20.8	0	0	0	115.1
34	N	39	Very low	42.2	Very low	106 Å²	106	147.1 Å²	147.1	57%	0.567	78%	0.779	S	S	*	*			trans	-89.8	147	-175.9	130.7	63.5	0	0	0	112.3	N36	N34-N36 PolarHBondContact OD1-N 2.87Å; N34-N36 PolarHBondContact OD1-ND2 3.21Å
35	V	43.7	Very low	42.2	Very low	147 Å²	147	148.8 Å²	148.8	89%	0.891	78%	0.781	S	S	*	*			trans	-136.5	99.8	152.6	-175.4	0	0	0	0	110.5
36	N	39.2	Very low	42.1	Very low	125 Å²	125	147.8 Å²	147.8	67%	0.668	78%	0.776	S	S	*	*			trans	-85.7	150.7	171.1	-74.8	-34.1	0	0	0	112	N34	N34-N36 PolarHBondContact OD1-N 2.87Å; N34-N36 PolarHBondContact OD1-ND2 3.21Å
37	S	41.9	Very low	41.9	Very low	120 Å²	120	148.6 Å²	148.6	84%	0.839	77%	0.773	S	S	*	*			trans	-155.5	137.9	138.5	50.3	0	0	0	0	111
38	N	41.6	Very low	42	Very low	139 Å²	139	150 Å²	150	74%	0.743	77%	0.773	S	S	*	*			trans	-96.4	170.8	-173.1	-60	-59.9	0	0	0	112.2
39	I	46.3	Very low	42	Very low	153 Å²	153	152.7 Å²	152.7	79%	0.785	78%	0.777	S	S	*	*				170.4	132.6	116	-86.8	156.8	0	0	0	112.5
40	N	39.9	Very low	42.4	Very low	139 Å²	139	155.7 Å²	155.7	74%	0.743	78%	0.783	S	S	*	*			trans	23.8	124.3	154.1	-54.3	-15.6	0	0	0	120.6
41	V	40.2	Very low	42.1	Very low	126 Å²	126	155 Å²	155	76%	0.764	78%	0.781	S	S	*	*				75.6	89.5	59.2	177.1	0	0	0	0	114.5
42	R	41.5	Very low	42.5	Very low	222 Å²	222	152.4 Å²	152.4	84%	0.838	77%	0.774	S	S	*	*				-178.6	162.3	114.4	-108.3	176.1	-173.8	173.5	1.4	114.8
43	D	42.7	Very low	43	Very low	145 Å²	145	149.2 Å²	149.2	78%	0.775	76%	0.762	S	S	*	*			trans	52.5	100.4	157.1	-54.2	-20.6	0	0	0	122
44	G	36.4	Very low	43.8	Very low	78 Å²	78	148.3 Å²	148.3	80%	0.804	75%	0.748	S	S	*	*				74.4	83.6	115	0	0	0	0	0	120.8
45	M	44	Very low	44.6	Very low	156 Å²	156	149.5 Å²	149.5	77%	0.768	75%	0.749	S	S	*	*			trans	-141.2	149.1	152.8	-79.9	-161.6	179.7	0	0	113.6	Y47	M45-Y47 HydrophobicContact CB-CD2 4.45Å; M45-Y47 HydrophobicContact CB-CE2 3.83Å; M45-Y47 WeakPolarHBondContact O-CD2 3.33Å; M45-Y47 PolarHBondContact O-N 2.99Å
46	E	36.7	Very low	45.6	Very low	161 Å²	161	147 Å²	147	75%	0.752	73%	0.727	S	S	*	*			trans	-83.7	84.7	-172.3	-169.7	-155.7	145.6	0	0	112.8	K48	E46-K48 PolarHBondContact O-N 3.12Å; E46-K48 VanDerWaalsContact O-N 3.12Å; E46-K48 WeakPolarHBondContact OE1-CE 3.19Å; E46-K48 IonicContact OE1-NZ 2.71Å
47	Y	42.3	Very low	47.3	Very low	197 Å²	197	149.1 Å²	149.1	77%	0.773	73%	0.726	S	S	*	*			trans	-80.9	94.9	-178	-70.6	-76.3	0	0	0	114.2	M45 R49	M45-Y47 HydrophobicContact CB-CD2 4.45Å; M45-Y47 HydrophobicContact CB-CE2 3.83Å; M45-Y47 WeakPolarHBondContact O-CD2 3.33Å; M45-Y47 PolarHBondContact O-N 2.99Å; Y47-R49 PolarHBondContact O-N 3.01Å
48	K	43.4	Very low	49.1	Very low	172 Å²	172	148.5 Å²	148.5	75%	0.748	71%	0.705	S	S	*	*			trans	-59.8	100.6	167.8	-71.1	174.3	-179.6	165.7	0	111.3	E46 K50	E46-K48 PolarHBondContact O-N 3.12Å; E46-K48 VanDerWaalsContact O-N 3.12Å; E46-K48 WeakPolarHBondContact OE1-CE 3.19Å; E46-K48 IonicContact OE1-NZ 2.71Å; K48-K50 PolarHBondContact O-N 3.29Å
49	R	46.8	Very low	51	Low	244 Å²	244	144.1 Å²	144.1	92%	0.921	68%	0.68	S	S	*	*			trans	-57.9	105.6	174.6	-88.9	-175.3	-96.9	161.4	-7.2	111.3	Y47 R51	Y47-R49 PolarHBondContact O-N 3.01Å; R49-R51 PolarHBondContact O-N 3.44Å
50	K	45.2	Very low	52.7	Low	207 Å²	207	137 Å²	137	90%	0.9	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-59.9	126.6	167.3	-77.8	-179.5	175.9	174.9	0	109.2	K48 S52	K48-K50 PolarHBondContact O-N 3.29Å; K50-S52 PolarHBondContact O-N 3.37Å
51	R	42.7	Very low	54.7	Low	190 Å²	190	130.5 Å²	130.5	72%	0.717	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-68.3	126.5	174.2	-66.9	-178.4	179.7	172.5	2.3	109.7	R49 V53	R49-R51 PolarHBondContact O-N 3.44Å; R51-V53 PolarHBondContact O-N 2.73Å
52	S	53.3	Low	56.2	Low	90 Å²	90	126.1 Å²	126.1	63%	0.629	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-68.9	124.6	172.1	54.9	0	0	0	0	110.5	K50	K50-S52 PolarHBondContact O-N 3.37Å
53	V	55.3	Low	57.4	Low	88 Å²	88	117.1 Å²	117.1	53%	0.533	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-91.6	119.1	176.2	175.6	0	0	0	0	108.7	R51 V409	R51-V53 PolarHBondContact O-N 2.73Å; V53-V409 HydrophobicContact CG1-CG1 3.62Å
54	I	57.4	Low	58.2	Low	109 Å²	109	117.7 Å²	117.7	56%	0.559	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.1	171.3	-59.5	173.1	0	0	0	107.1
55	K	56.6	Low	59.2	Low	132 Å²	132	115.8 Å²	115.8	57%	0.574	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	128	169.4	-73.5	-178.5	157.9	-152.6	0	108.7	D407	K55-D407 WeakPolarHBondContact CD-OD2 3.47Å; K55-D407 WeakPolarHBondContact CE-OD2 3.42Å; K55-D407 IonicContact NZ-OD2 3.93Å; K55-D407 PolarHBondContact NZ-OD2 3.45Å
56	E	64.6	Low	59.8	Low	93 Å²	93	113 Å²	113	44%	0.435	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121	174	-174.5	177.3	-136.1	0	0	109.7	R58 T408	E56-R58 PolarHBondContact O-N 3Å; E56-T408 PolarHBondContact N-O 3.26Å; E56-T408 PolarHBondContact O-N 2.95Å; E56-T408 PolarHBondContact O-OG1 3.17Å
57	R	74.8	Confident	60.6	Low	170 Å²	170	110.9 Å²	110.9	64%	0.642	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	115	176.9	-74.6	178.9	177.6	172.1	0.6	109.8	V405 D407	R57-V405 HydrophobicContact CB-CG1 4.06Å; R57-V405 HydrophobicContact CG-CG1 4.05Å; R57-D407 WeakPolarHBondContact CG-OD1 3.44Å; R57-D407 IonicContact NE-OD1 3.47Å
58	R	78.6	Confident	61.5	Low	107 Å²	107	105 Å²	105	40%	0.404	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.9	166.8	-58.6	-176.9	-173.4	168.2	3.1	109.2	E56 V405 E406 T408	E56-R58 PolarHBondContact O-N 3Å; R58-V405 CarbonylContact O-C 3.54Å; R58-V405 WeakPolarHBondContact O-CA 3.46Å; R58-E406 HydrophobicContact CB-CB 4.27Å; R58-E406 PolarHBondContact N-O 3.22Å; R58-E406 PolarHBondContact O-N 3.06Å; R58-T408 HydrophobicContact CG-CG2 3.96Å; R58-T408 PolarHBondContact NE-OG1 2.99Å
59	F	81.6	Confident	62.5	Low	48 Å²	48	104 Å²	104	21%	0.211	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.5	170.5	-61.8	-89	0	0	0	108.8	G85 R394 I403 V405	F59-G85 WeakPolarHBondContact O-CA 3.39Å; F59-R394 VanDerWaalsContact CD2-NH1 3.3Å; F59-I403 HydrophobicContact CB-CG2 4.46Å; F59-I403 HydrophobicContact CD1-CG2 4.13Å; F59-V405 HydrophobicContact CD1-CG2 3.88Å; F59-V405 HydrophobicContact CE1-CG1 4.46Å; F59-V405 HydrophobicContact CE1-CG2 3.91Å
60	V	82.3	Confident	63.1	Low	4 Å²	4	98.4 Å²	98.4	2%	0.024	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.8	174	-171.6	0	0	0	0	106.6	I403 R404 E406	V60-I403 CarbonylContact O-C 3.57Å; V60-I403 WeakPolarHBondContact O-CA 3.2Å; V60-R404 HydrophobicContact CB-CB 4.33Å; V60-R404 PolarHBondContact N-O 3.3Å; V60-R404 PolarHBondContact O-N 3.08Å; V60-E406 HydrophobicContact CG2-CG 4.09Å
61	I	82.2	Confident	63.9	Low	1 Å²	1	90.7 Å²	90.7	1%	0.005	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.5	173	-66.7	164.3	0	0	0	106.1	D63 S84 G85 L86 C397 F401 I403	I61-D63 PolarHBondContact O-N 3.45Å; I61-S84 WeakPolarHBondContact CD1-O 3.44Å; I61-G85 PolarHBondContact N-O 3.14Å; I61-L86 HydrophobicContact CB-CD2 4.46Å; I61-L86 HydrophobicContact CD1-CD2 3.6Å; I61-L86 HydrophobicContact CD1-CG 3.75Å; I61-L86 HydrophobicContact CG2-CD2 4.37Å; I61-C397 HydrophobicContact CD1-CB 3.61Å; I61-C397 HydrophobicContact CG1-CB 4.19Å; I61-C397 HydrophobicContact CG2-CB 4.26Å; I61-F401 HydrophobicContact CG2-CB 3.79Å; I61-F401 HydrophobicContact CG2-CD2 3.97Å; I61-F401 HydrophobicContact CG2-CG 3.99Å; I61-I403 HydrophobicContact CG1-CD1 4.1Å; I61-I403 HydrophobicContact CG1-CG1 4.06Å
62	N	72.1	Confident	65.5	Low	35 Å²	35	90.1 Å²	90.1	19%	0.187	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	74.6	174.8	-63.3	-15.8	0	0	0	109	E402 R404	N62-E402 HydrophobicContact CB-CB 4.27Å; N62-E402 PolarHBondContact N-O 3.29Å; N62-E402 VanDerWaalsContact ND2-CD 3.28Å; N62-E402 PolarHBondContact ND2-OE2 2.9Å; N62-R404 WeakPolarHBondContact ND2-CD 3.2Å; N62-R404 PolarHBondContact ND2-NE 2.86Å; N62-R404 PolarHBondContact ND2-NH2 3.43Å
63	D	65.9	Low	66.9	Low	32 Å²	32	88.9 Å²	88.9	17%	0.171	45%	0.45	C	S	.	.			trans	-72	150.2	154.2	54.2	29	0	0	0	109.1	I61 V65 F401	I61-D63 PolarHBondContact O-N 3.45Å; D63-V65 HydrophobicContact CB-CG2 3.94Å; D63-V65 PolarHBondContact O-N 3.22Å; D63-V65 WeakPolarHBondContact OD1-CB 2.9Å; D63-F401 HydrophobicContact CB-CD1 4.45Å; D63-F401 HydrophobicContact CB-CE1 4.29Å
64	M	59.2	Low	68.5	Low	157 Å²	157	88.9 Å²	88.9	77%	0.773	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	26.1	-178.1	-62	177	-70.7	0	0	112.4	T67	M64-T67 PolarHBondContact O-OG1 2.88Å
65	V	58.7	Low	69.9	Low	39 Å²	39	92.8 Å²	92.8	24%	0.236	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-36.4	-179	-176	0	0	0	0	109.6	D63 T67 V68 F70	D63-V65 HydrophobicContact CB-CG2 3.94Å; D63-V65 PolarHBondContact O-N 3.22Å; D63-V65 WeakPolarHBondContact OD1-CB 2.9Å; V65-T67 PolarHBondContact O-N 3.47Å; V65-V68 PolarHBondContact O-N 3.24Å; V65-F70 HydrophobicContact CB-CE2 4.5Å; V65-F70 HydrophobicContact CG1-CD2 4.37Å; V65-F70 HydrophobicContact CG1-CE2 3.52Å; V65-F70 HydrophobicContact CG1-CZ 4.16Å
66	E	55.7	Low	71.4	Confident	97 Å²	97	87.8 Å²	87.8	45%	0.453	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10	177.4	-57.2	-162.2	166.3	0	0	113.2	R81 N87	E66-R81 VanDerWaalsContact CD-NH2 3.3Å; E66-R81 IonicContact OE1-CZ 3.85Å; E66-R81 IonicContact OE1-NE 3.64Å; E66-R81 IonicContact OE1-NH2 2.88Å; E66-R81 PolarHBondContact OE1-NH2 2.84Å; E66-R81 IonicContact OE2-NH2 3.54Å; E66-R81 PolarHBondContact OE2-NH2 2.88Å; E66-R81 VanDerWaalsContact OE2-NH2 3.11Å; E66-N87 PolarHBondContact OE1-ND2 2.83Å
67	T	55	Low	72.6	Confident	116 Å²	116	87.2 Å²	87.2	71%	0.712	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.6	169.9	42.4	0	0	0	0	114.4	M64 V65	M64-T67 PolarHBondContact O-OG1 2.88Å; V65-T67 PolarHBondContact O-N 3.47Å
68	V	60.1	Low	73.4	Confident	74 Å²	74	81.6 Å²	81.6	45%	0.448	43%	0.43	S	S	.	.	S	Bend	trans	-115.5	111.1	177.4	178.6	0	0	0	0	108.5	V65 F70	V65-V68 PolarHBondContact O-N 3.24Å; V68-F70 HydrophobicContact CB-CD2 4.22Å; V68-F70 HydrophobicContact CB-CE2 3.6Å; V68-F70 HydrophobicContact CB-CZ 3.89Å; V68-F70 HydrophobicContact CG1-CD1 4.26Å; V68-F70 HydrophobicContact CG1-CD2 3.99Å; V68-F70 HydrophobicContact CG1-CE1 3.95Å; V68-F70 HydrophobicContact CG1-CE2 3.63Å; V68-F70 HydrophobicContact CG1-CG 4.28Å; V68-F70 HydrophobicContact CG1-CZ 3.61Å; V68-F70 WeakPolarHBondContact O-CD2 3.45Å; V68-F70 WeakPolarHBondContact O-CE2 3.38Å; V68-F70 PolarHBondContact O-N 3.43Å; V68-F70 VanDerWaalsContact O-N 3.14Å
69	D	63.8	Low	73.9	Confident	150 Å²	150	80.1 Å²	80.1	80%	0.802	43%	0.428	S	S	*	.			trans	-73.1	104.3	168.1	-169.4	-10.8	0	0	0	108.7	G71	D69-G71 PolarHBondContact O-N 3.08Å; D69-G71 WeakPolarHBondContact OD1-CA 3.41Å; D69-G71 PolarHBondContact OD1-N 2.83Å
70	F	59.1	Low	74.3	Confident	128 Å²	128	79.6 Å²	79.6	56%	0.561	43%	0.427	S	S	*	.			trans	-75.1	0.5	177.5	-71.2	-87.3	0	0	0	113	V65 V68	V65-F70 HydrophobicContact CB-CE2 4.5Å; V65-F70 HydrophobicContact CG1-CD2 4.37Å; V65-F70 HydrophobicContact CG1-CE2 3.52Å; V65-F70 HydrophobicContact CG1-CZ 4.16Å; V68-F70 HydrophobicContact CB-CD2 4.22Å; V68-F70 HydrophobicContact CB-CE2 3.6Å; V68-F70 HydrophobicContact CB-CZ 3.89Å; V68-F70 HydrophobicContact CG1-CD1 4.26Å; V68-F70 HydrophobicContact CG1-CD2 3.99Å; V68-F70 HydrophobicContact CG1-CE1 3.95Å; V68-F70 HydrophobicContact CG1-CE2 3.63Å; V68-F70 HydrophobicContact CG1-CG 4.28Å; V68-F70 HydrophobicContact CG1-CZ 3.61Å; V68-F70 WeakPolarHBondContact O-CD2 3.45Å; V68-F70 WeakPolarHBondContact O-CE2 3.38Å; V68-F70 PolarHBondContact O-N 3.43Å; V68-F70 VanDerWaalsContact O-N 3.14Å
71	G	62.3	Low	74.7	Confident	44 Å²	44	82.6 Å²	82.6	45%	0.454	44%	0.438	S	S	.	.			trans	71	-164.5	-174.5	0	0	0	0	0	112.6	D69 L73	D69-G71 PolarHBondContact O-N 3.08Å; D69-G71 WeakPolarHBondContact OD1-CA 3.41Å; D69-G71 PolarHBondContact OD1-N 2.83Å; G71-L73 PolarHBondContact O-N 2.99Å
72	L	76.6	Confident	75.1	Confident	179 Å²	179	82.8 Å²	82.8	94%	0.937	44%	0.439	S	S	*	.	S	Bend	trans	-65.2	118	178	-64.7	174.1	0	0	0	110.3
73	L	84	Confident	76	Confident	63 Å²	63	84.1 Å²	84.1	33%	0.33	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-55.9	148.3	170	-67	175.3	0	0	0	110.3	G71 W77 Q79 Y89	G71-L73 PolarHBondContact O-N 2.99Å; L73-W77 HydrophobicContact CB-CB 4.14Å; L73-Q79 HydrophobicContact CD1-CB 4.1Å; L73-Y89 HydrophobicContact CD1-CD1 4.24Å; L73-Y89 HydrophobicContact CD1-CE1 4.49Å; L73-Y89 HydrophobicContact CD2-CD1 4.09Å; L73-Y89 HydrophobicContact CD2-CE1 4.03Å
74	P	88.5	Confident	77.1	Confident	89 Å²	89	82.6 Å²	82.6	58%	0.578	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-55.2	152.5	175.9	-23.7	33.5	0	0	0	112.1	G76 W77	P74-G76 PolarHBondContact O-N 2.82Å; P74-W77 WeakPolarHBondContact O-CB 3.21Å; P74-W77 PolarHBondContact O-N 3.32Å
75	E	85.5	Confident	78.6	Confident	191 Å²	191	75.1 Å²	75.1	89%	0.893	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	137.3	-174.3	-166.8	-178.7	170.2	0	0	112.2	W77	E75-W77 VanDerWaalsContact C-N 3.28Å; E75-W77 PolarHBondContact O-N 2.89Å
76	G	87.9	Confident	80	Confident	26 Å²	26	74 Å²	74	27%	0.268	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-8.7	-177.4	0	0	0	0	0	115.4	P74 R92	P74-G76 PolarHBondContact O-N 2.82Å; G76-R92 WeakPolarHBondContact O-CB 3.49Å; G76-R92 VanDerWaalsContact O-CG 3.31Å; G76-R92 WeakPolarHBondContact O-CG 3.32Å; G76-R92 PolarHBondContact O-N 2.84Å
77	W	91.8	Very high	81.6	Confident	81 Å²	81	70 Å²	70	31%	0.307	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	151.9	177.8	-67.7	81.5	0	0	0	113.6	L73 P74 E75 L90 H91 T98	L73-W77 HydrophobicContact CB-CB 4.14Å; P74-W77 WeakPolarHBondContact O-CB 3.21Å; P74-W77 PolarHBondContact O-N 3.32Å; E75-W77 VanDerWaalsContact C-N 3.28Å; E75-W77 PolarHBondContact O-N 2.89Å; W77-L90 CarbonylContact C-O 3.58Å; W77-L90 WeakPolarHBondContact CA-O 3.31Å; W77-H91 AromaticContact CD1-CD2 3.69Å; W77-H91 HydrophobicContact CD2-CB 3.87Å; W77-H91 AromaticContact CE2-CD2 3.83Å; W77-H91 AromaticContact CE2-CG 4Å; W77-H91 HydrophobicContact CE3-CB 3.95Å; W77-H91 HydrophobicContact CH2-CB 3.9Å; W77-H91 HydrophobicContact CZ2-CB 3.81Å; W77-H91 HydrophobicContact CZ3-CB 3.96Å; W77-H91 AromaticContact NE1-CD2 3.48Å; W77-H91 PolarHBondContact NE1-CD2 2.83Å; W77-T98 HydrophobicContact CH2-CG2 4.38Å; W77-T98 HydrophobicContact CZ3-CG2 3.89Å
78	L	90.1	Very high	83.4	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.277	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133	176.9	-71	178.6	0	0	0	111.4	L80 Y89 L90 R92	L78-L80 HydrophobicContact CB-CD1 4.48Å; L78-L80 HydrophobicContact CB-CG 4.3Å; L78-Y89 CarbonylContact O-C 3.58Å; L78-Y89 WeakPolarHBondContact O-CA 3.24Å; L78-L90 PolarHBondContact N-O 3.12Å; L78-L90 PolarHBondContact O-N 3.39Å; L78-R92 HydrophobicContact CD1-CG 3.93Å; L78-R92 HydrophobicContact CG-CG 4.18Å
79	Q	89.9	Confident	84.9	Confident	75 Å²	75	63.2 Å²	63.2	35%	0.35	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	131.4	161.8	-175.4	169.1	-24.1	0	0	109.7	L73 N87 Y89	L73-Q79 HydrophobicContact CD1-CB 4.1Å; Q79-N87 HydrophobicContact CG-CB 4.19Å; Q79-Y89 HydrophobicContact CB-CD1 3.93Å; Q79-Y89 HydrophobicContact CB-CE1 3.7Å; Q79-Y89 HydrophobicContact CG-CD1 4.29Å; Q79-Y89 HydrophobicContact CG-CE1 3.76Å; Q79-Y89 VanDerWaalsContact OE1-CE1 3.3Å; Q79-Y89 PolarHBondContact OE1-OH 3.14Å
80	L	89.5	Confident	86.3	Confident	37 Å²	37	56.5 Å²	56.5	19%	0.194	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.1	-179.3	-68.1	170.4	0	0	0	110	L78 H82 V88 L90 V110	L78-L80 HydrophobicContact CB-CD1 4.48Å; L78-L80 HydrophobicContact CB-CG 4.3Å; L80-H82 PolarHBondContact O-N 2.74Å; L80-V88 HydrophobicContact CB-CG2 4.3Å; L80-V88 PolarHBondContact N-O 3.2Å; L80-V88 WeakPolarHBondContact O-CG2 3.18Å; L80-V88 PolarHBondContact O-N 3.5Å; L80-L90 HydrophobicContact CD1-CB 4.29Å; L80-L90 HydrophobicContact CD1-CD2 4.04Å; L80-V110 HydrophobicContact CD1-CB 4.24Å; L80-V110 HydrophobicContact CD1-CG1 3.84Å
81	R	89.8	Confident	87.9	Confident	68 Å²	68	52.3 Å²	52.3	26%	0.257	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.4	174.5	-160.8	176.9	-71.5	164.7	-7.2	111.1	E66 R111	E66-R81 VanDerWaalsContact CD-NH2 3.3Å; E66-R81 IonicContact OE1-CZ 3.85Å; E66-R81 IonicContact OE1-NE 3.64Å; E66-R81 IonicContact OE1-NH2 2.88Å; E66-R81 PolarHBondContact OE1-NH2 2.84Å; E66-R81 IonicContact OE2-NH2 3.54Å; E66-R81 PolarHBondContact OE2-NH2 2.88Å; E66-R81 VanDerWaalsContact OE2-NH2 3.11Å; R81-R111 PolarHBondContact O-NH1 3.12Å
82	H	91.5	Very high	89	Confident	5 Å²	5	57.8 Å²	57.8	2%	0.023	28%	0.281	C	S	.	.			trans	-78.4	158.2	176.1	-174.6	-112	0	0	0	111.5	L80 S84 G85 L86 V88 R111 H113 I115	L80-H82 PolarHBondContact O-N 2.74Å; H82-S84 PolarHBondContact ND1-N 3.25Å; H82-S84 PolarHBondContact ND1-OG 3.11Å; H82-S84 PolarHBondContact O-N 2.88Å; H82-S84 VanDerWaalsContact O-N 3.15Å; H82-G85 WeakPolarHBondContact O-CA 3.5Å; H82-G85 PolarHBondContact O-N 2.7Å; H82-L86 WeakPolarHBondContact CB-O 3.44Å; H82-L86 PolarHBondContact N-O 3.42Å; H82-V88 HydrophobicContact CB-CG1 4.1Å; H82-V88 HydrophobicContact CB-CG2 4.32Å; H82-R111 PolarHBondContact CD2-O 3.45Å; H82-R111 PolarHBondContact NE2-O 2.97Å; H82-H113 AromaticContact CD2-CE1 3.9Å; H82-H113 PolarHBondContact CE1-O 3.47Å; H82-H113 VanDerWaalsContact CE1-O 3.29Å; H82-H113 PolarHBondContact NE2-O 3.28Å; H82-I115 WeakPolarHBondContact ND1-CD1 3.08Å
83	I	91.1	Very high	89.5	Confident	62 Å²	62	54 Å²	54	32%	0.318	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.3	-179.9	-167.7	165.6	0	0	0	113.9	G85 R111 P390 R394	I83-G85 PolarHBondContact O-N 2.88Å; I83-R111 VanDerWaalsContact CB-O 3.24Å; I83-R111 WeakPolarHBondContact CB-O 3.39Å; I83-R111 WeakPolarHBondContact CG2-O 3.35Å; I83-R111 PolarHBondContact N-O 2.79Å; I83-P390 HydrophobicContact CG2-CB 3.95Å; I83-P390 HydrophobicContact CG2-CG 3.62Å; I83-R394 PolarHBondContact O-NH1 3Å
84	S	89.9	Confident	89.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.7	169.1	63.3	0	0	0	0	114	I61 H82	I61-S84 WeakPolarHBondContact CD1-O 3.44Å; H82-S84 PolarHBondContact ND1-N 3.25Å; H82-S84 PolarHBondContact ND1-OG 3.11Å; H82-S84 PolarHBondContact O-N 2.88Å; H82-S84 VanDerWaalsContact O-N 3.15Å
85	G	88.8	Confident	89.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	93.9	-3.2	-175.6	0	0	0	0	0	115.3	F59 I61 H82 I83	F59-G85 WeakPolarHBondContact O-CA 3.39Å; I61-G85 PolarHBondContact N-O 3.14Å; H82-G85 WeakPolarHBondContact O-CA 3.5Å; H82-G85 PolarHBondContact O-N 2.7Å; I83-G85 PolarHBondContact O-N 2.88Å
86	L	89.4	Confident	89.7	Confident	16 Å²	16	45.8 Å²	45.8	8%	0.084	23%	0.228	C	C	.	.			trans	-78.7	147.3	174.4	-71.3	179.6	0	0	0	111.7	I61 H82 L99 I120 I393	I61-L86 HydrophobicContact CB-CD2 4.46Å; I61-L86 HydrophobicContact CD1-CD2 3.6Å; I61-L86 HydrophobicContact CD1-CG 3.75Å; I61-L86 HydrophobicContact CG2-CD2 4.37Å; H82-L86 WeakPolarHBondContact CB-O 3.44Å; H82-L86 PolarHBondContact N-O 3.42Å; L86-L99 HydrophobicContact CB-CD2 4.43Å; L86-L99 HydrophobicContact CD1-CD1 4.23Å; L86-L99 HydrophobicContact CD1-CD2 4.38Å; L86-I120 HydrophobicContact CD1-CD1 4.31Å; L86-I393 HydrophobicContact CD1-CG2 3.61Å; L86-I393 HydrophobicContact CG-CG2 4.05Å
87	N	89.9	Confident	89.8	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.8	168.2	-72.8	-43.2	0	0	0	110	E66 Q79 L99	E66-N87 PolarHBondContact OE1-ND2 2.83Å; Q79-N87 HydrophobicContact CG-CB 4.19Å; N87-L99 VanDerWaalsContact O-CD2 3.23Å; N87-L99 WeakPolarHBondContact O-CD2 3.29Å
88	V	90.9	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.1	176.7	-66.4	0	0	0	0	110.9	L80 H82 V97 L99 V110 I115	L80-V88 HydrophobicContact CB-CG2 4.3Å; L80-V88 PolarHBondContact N-O 3.2Å; L80-V88 WeakPolarHBondContact O-CG2 3.18Å; L80-V88 PolarHBondContact O-N 3.5Å; H82-V88 HydrophobicContact CB-CG1 4.1Å; H82-V88 HydrophobicContact CB-CG2 4.32Å; V88-V97 HydrophobicContact CB-CG1 3.79Å; V88-V97 HydrophobicContact CG1-CG1 4.25Å; V88-V97 HydrophobicContact CG2-CG1 4.35Å; V88-L99 HydrophobicContact CG1-CD1 4.27Å; V88-L99 HydrophobicContact CG1-CD2 3.8Å; V88-L99 HydrophobicContact CG1-CG 3.99Å; V88-V110 HydrophobicContact CG2-CG1 4.46Å; V88-I115 HydrophobicContact CG1-CD1 4.34Å
89	Y	92.5	Very high	89.6	Confident	47 Å²	47	41.7 Å²	41.7	18%	0.184	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.8	179	-61.4	-87.6	0	0	0	110.6	L73 L78 Q79 V97 T98	L73-Y89 HydrophobicContact CD1-CD1 4.24Å; L73-Y89 HydrophobicContact CD1-CE1 4.49Å; L73-Y89 HydrophobicContact CD2-CD1 4.09Å; L73-Y89 HydrophobicContact CD2-CE1 4.03Å; L78-Y89 CarbonylContact O-C 3.58Å; L78-Y89 WeakPolarHBondContact O-CA 3.24Å; Q79-Y89 HydrophobicContact CB-CD1 3.93Å; Q79-Y89 HydrophobicContact CB-CE1 3.7Å; Q79-Y89 HydrophobicContact CG-CD1 4.29Å; Q79-Y89 HydrophobicContact CG-CE1 3.76Å; Q79-Y89 VanDerWaalsContact OE1-CE1 3.3Å; Q79-Y89 PolarHBondContact OE1-OH 3.14Å; Y89-V97 CarbonylContact O-C 3.28Å; Y89-V97 VanDerWaalsContact O-CA 3.3Å; Y89-V97 WeakPolarHBondContact O-CA 3.28Å; Y89-T98 PolarHBondContact N-O 2.89Å; Y89-T98 PolarHBondContact O-N 3.18Å
90	L	92.8	Very high	89.4	Confident	9 Å²	9	41.4 Å²	41.4	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.1	-178.3	173.4	78.2	0	0	0	110.9	W77 L78 L80 V96 V97 I105 V110	W77-L90 CarbonylContact C-O 3.58Å; W77-L90 WeakPolarHBondContact CA-O 3.31Å; L78-L90 PolarHBondContact N-O 3.12Å; L78-L90 PolarHBondContact O-N 3.39Å; L80-L90 HydrophobicContact CD1-CB 4.29Å; L80-L90 HydrophobicContact CD1-CD2 4.04Å; L90-V96 WeakPolarHBondContact CA-O 3.48Å; L90-V97 HydrophobicContact CB-CG2 4.37Å; L90-V97 HydrophobicContact CD1-CG2 3.6Å; L90-I105 HydrophobicContact CD1-CD1 4.09Å; L90-V110 HydrophobicContact CB-CG1 4.19Å; L90-V110 HydrophobicContact CD1-CG1 4.19Å; L90-V110 HydrophobicContact CD2-CG1 4.12Å; L90-V110 HydrophobicContact CD2-CG2 3.94Å; L90-V110 HydrophobicContact CG-CG1 4.39Å
91	H	92.3	Very high	89.1	Confident	39 Å²	39	46.4 Å²	46.4	18%	0.181	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.6	161.2	-173.2	-121.7	0	0	0	110.2	W77 S93 S94 R95 V96	W77-H91 AromaticContact CD1-CD2 3.69Å; W77-H91 HydrophobicContact CD2-CB 3.87Å; W77-H91 AromaticContact CE2-CD2 3.83Å; W77-H91 AromaticContact CE2-CG 4Å; W77-H91 HydrophobicContact CE3-CB 3.95Å; W77-H91 HydrophobicContact CH2-CB 3.9Å; W77-H91 HydrophobicContact CZ2-CB 3.81Å; W77-H91 HydrophobicContact CZ3-CB 3.96Å; W77-H91 AromaticContact NE1-CD2 3.48Å; W77-H91 PolarHBondContact NE1-CD2 2.83Å; H91-S93 PolarHBondContact CE1-OG 3.47Å; H91-S93 PolarHBondContact O-N 2.9Å; H91-S94 PolarHBondContact ND1-OG 2.83Å; H91-R95 PolarHBondContact O-N 2.76Å; H91-R95 VanDerWaalsContact O-N 3.14Å; H91-V96 PolarHBondContact N-O 3.43Å
92	R	87.2	Confident	89	Confident	160 Å²	160	47.5 Å²	47.5	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-50.6	-169.7	-75.5	175.9	175.9	-161.1	-3.7	113.3	G76 L78	G76-R92 WeakPolarHBondContact O-CB 3.49Å; G76-R92 VanDerWaalsContact O-CG 3.31Å; G76-R92 WeakPolarHBondContact O-CG 3.32Å; G76-R92 PolarHBondContact O-N 2.84Å; L78-R92 HydrophobicContact CD1-CG 3.93Å; L78-R92 HydrophobicContact CG-CG 4.18Å
93	S	87	Confident	88.7	Confident	99 Å²	99	48.2 Å²	48.2	69%	0.692	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-42.8	-169.8	54.2	0	0	0	0	113.4	H91 R95	H91-S93 PolarHBondContact CE1-OG 3.47Å; H91-S93 PolarHBondContact O-N 2.9Å; S93-R95 VanDerWaalsContact C-N 3.35Å
94	S	86.4	Confident	88.4	Confident	59 Å²	59	47.4 Å²	47.4	41%	0.413	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.9	179.8	70.5	0	0	0	0	114.5	H91 V96	H91-S94 PolarHBondContact ND1-OG 2.83Å; S94-V96 PolarHBondContact O-N 2.82Å; S94-V96 VanDerWaalsContact O-N 3.11Å; S94-V96 WeakPolarHBondContact OG-CG2 3.38Å
95	R	88.2	Confident	88	Confident	74 Å²	74	47.8 Å²	47.8	28%	0.279	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	25.6	-179.1	-60.5	-73.4	-63.5	158.9	5.2	113.7	H91 S93 I105 G106 S108	H91-R95 PolarHBondContact O-N 2.76Å; H91-R95 VanDerWaalsContact O-N 3.14Å; S93-R95 VanDerWaalsContact C-N 3.35Å; R95-I105 WeakPolarHBondContact O-CG1 3.4Å; R95-I105 PolarHBondContact O-N 2.87Å; R95-G106 VanDerWaalsContact CZ-O 3.29Å; R95-G106 PolarHBondContact NE-O 3.3Å; R95-G106 PolarHBondContact NH2-O 3.22Å; R95-S108 PolarHBondContact NH2-O 2.95Å
96	V	87.7	Confident	87.5	Confident	38 Å²	38	49 Å²	49	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.2	174.5	173.1	0	0	0	0	109.4	L90 H91 S94 P102 Y103	L90-V96 WeakPolarHBondContact CA-O 3.48Å; H91-V96 PolarHBondContact N-O 3.43Å; S94-V96 PolarHBondContact O-N 2.82Å; S94-V96 VanDerWaalsContact O-N 3.11Å; S94-V96 WeakPolarHBondContact OG-CG2 3.38Å; V96-P102 HydrophobicContact CG1-CB 3.59Å; V96-Y103 CarbonylContact C-O 3.53Å; V96-Y103 WeakPolarHBondContact CA-O 3.36Å
97	V	90.1	Very high	86.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.8	170.1	177.2	0	0	0	0	108.9	V88 Y89 L90 P102 Y103 I105 V110	V88-V97 HydrophobicContact CB-CG1 3.79Å; V88-V97 HydrophobicContact CG1-CG1 4.25Å; V88-V97 HydrophobicContact CG2-CG1 4.35Å; Y89-V97 CarbonylContact O-C 3.28Å; Y89-V97 VanDerWaalsContact O-CA 3.3Å; Y89-V97 WeakPolarHBondContact O-CA 3.28Å; L90-V97 HydrophobicContact CB-CG2 4.37Å; L90-V97 HydrophobicContact CD1-CG2 3.6Å; V97-P102 CarbonylContact O-C 3.47Å; V97-P102 VanDerWaalsContact O-CA 3.29Å; V97-P102 WeakPolarHBondContact O-CA 3.4Å; V97-Y103 HydrophobicContact CB-CE1 4.47Å; V97-Y103 HydrophobicContact CB-CE2 3.99Å; V97-Y103 HydrophobicContact CG1-CE1 4.26Å; V97-Y103 HydrophobicContact CG1-CE2 4.2Å; V97-Y103 WeakPolarHBondContact CG1-OH 3.16Å; V97-Y103 PolarHBondContact N-O 3.41Å; V97-Y103 PolarHBondContact O-N 2.9Å; V97-Y103 VanDerWaalsContact O-O 3.09Å; V97-I105 HydrophobicContact CB-CG2 4.17Å; V97-I105 HydrophobicContact CG2-CB 4.46Å; V97-I105 HydrophobicContact CG2-CD1 3.74Å; V97-I105 HydrophobicContact CG2-CG1 3.94Å; V97-I105 HydrophobicContact CG2-CG2 3.7Å; V97-V110 HydrophobicContact CG2-CG1 4.1Å
98	T	89	Confident	86.1	Confident	28 Å²	28	53.7 Å²	53.7	17%	0.172	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.4	168.8	-167.3	0	0	0	0	111.7	W77 Y89 R101	W77-T98 HydrophobicContact CH2-CG2 4.38Å; W77-T98 HydrophobicContact CZ3-CG2 3.89Å; Y89-T98 PolarHBondContact N-O 2.89Å; Y89-T98 PolarHBondContact O-N 3.18Å; T98-R101 PolarHBondContact OG1-O 3.02Å
99	L	86.9	Confident	85.9	Confident	46 Å²	46	56.6 Å²	56.6	24%	0.241	32%	0.315	C	S	.	.	S	Bend	trans	-118.2	-68.2	163.4	-79.5	164	0	0	0	107.2	L86 N87 V88 I115 I120	L86-L99 HydrophobicContact CB-CD2 4.43Å; L86-L99 HydrophobicContact CD1-CD1 4.23Å; L86-L99 HydrophobicContact CD1-CD2 4.38Å; N87-L99 VanDerWaalsContact O-CD2 3.23Å; N87-L99 WeakPolarHBondContact O-CD2 3.29Å; V88-L99 HydrophobicContact CG1-CD1 4.27Å; V88-L99 HydrophobicContact CG1-CD2 3.8Å; V88-L99 HydrophobicContact CG1-CG 3.99Å; L99-I115 HydrophobicContact CD1-CD1 4.14Å; L99-I115 HydrophobicContact CD1-CG2 3.67Å; L99-I120 HydrophobicContact CD1-CG1 4.39Å
100	S	86.7	Confident	85.6	Confident	69 Å²	69	55.3 Å²	55.3	48%	0.483	31%	0.312	S	S	.	.	S	Bend	trans	-123.4	-24.3	162.8	84.9	0	0	0	0	113.7	A119 P121	S100-A119 PolarHBondContact OG-O 3.49Å; S100-P121 WeakPolarHBondContact OG-CD 3.18Å; S100-P121 WeakPolarHBondContact OG-CG 3.23Å
101	R	84.1	Confident	85.4	Confident	141 Å²	141	60.6 Å²	60.6	53%	0.532	33%	0.332	S	S	.	.	S	Bend	trans	-121.4	137.1	169.9	-70.9	-167	174.6	128.1	-9	109.2	T98 Y103 S118	T98-R101 PolarHBondContact OG1-O 3.02Å; R101-Y103 WeakPolarHBondContact O-CD1 3.3Å; R101-S118 WeakPolarHBondContact CD-O 3.28Å; R101-S118 PolarHBondContact NH1-O 2.95Å
102	P	86.7	Confident	85.2	Confident	92 Å²	92	63.7 Å²	63.7	60%	0.597	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.7	178.3	30	-34.4	0	0	0	112.2	V96 V97	V96-P102 HydrophobicContact CG1-CB 3.59Å; V97-P102 CarbonylContact O-C 3.47Å; V97-P102 VanDerWaalsContact O-CA 3.29Å; V97-P102 WeakPolarHBondContact O-CA 3.4Å
103	Y	85.9	Confident	85.2	Confident	20 Å²	20	56.2 Å²	56.2	8%	0.078	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.7	172.1	54.6	-82.4	0	0	0	109.5	V96 V97 R101 I105 H113 P116 A119	V96-Y103 CarbonylContact C-O 3.53Å; V96-Y103 WeakPolarHBondContact CA-O 3.36Å; V97-Y103 HydrophobicContact CB-CE1 4.47Å; V97-Y103 HydrophobicContact CB-CE2 3.99Å; V97-Y103 HydrophobicContact CG1-CE1 4.26Å; V97-Y103 HydrophobicContact CG1-CE2 4.2Å; V97-Y103 WeakPolarHBondContact CG1-OH 3.16Å; V97-Y103 PolarHBondContact N-O 3.41Å; V97-Y103 PolarHBondContact O-N 2.9Å; V97-Y103 VanDerWaalsContact O-O 3.09Å; R101-Y103 WeakPolarHBondContact O-CD1 3.3Å; Y103-I105 HydrophobicContact CD2-CG2 4.08Å; Y103-I105 HydrophobicContact CE2-CG2 3.8Å; Y103-H113 AromaticContact CE2-CD2 3.84Å; Y103-H113 AromaticContact CE2-NE2 3.58Å; Y103-H113 AromaticContact CZ-NE2 3.81Å; Y103-H113 PolarHBondContact OH-NE2 2.82Å; Y103-H113 VanDerWaalsContact OH-NE2 3.13Å; Y103-P116 HydrophobicContact CD1-CG 3.79Å; Y103-P116 HydrophobicContact CD2-CG 3.94Å; Y103-P116 HydrophobicContact CE1-CG 4.15Å; Y103-P116 HydrophobicContact CE2-CG 4.26Å; Y103-P116 HydrophobicContact CG-CG 3.7Å; Y103-A119 HydrophobicContact CD1-CB 3.8Å; Y103-A119 HydrophobicContact CE1-CB 3.55Å
104	S	83.6	Confident	85.3	Confident	45 Å²	45	55.4 Å²	55.4	32%	0.315	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	144	173	-172.6	0	0	0	0	110.4	G106	S104-G106 PolarHBondContact OG-N 3.15Å
105	I	81.4	Confident	85.4	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.036	28%	0.28	C	S	.	.			trans	-106	-1.1	169.9	58.8	165.1	0	0	0	112.6	L90 R95 V97 Y103 S108 V110	L90-I105 HydrophobicContact CD1-CD1 4.09Å; R95-I105 WeakPolarHBondContact O-CG1 3.4Å; R95-I105 PolarHBondContact O-N 2.87Å; V97-I105 HydrophobicContact CB-CG2 4.17Å; V97-I105 HydrophobicContact CG2-CB 4.46Å; V97-I105 HydrophobicContact CG2-CD1 3.74Å; V97-I105 HydrophobicContact CG2-CG1 3.94Å; V97-I105 HydrophobicContact CG2-CG2 3.7Å; Y103-I105 HydrophobicContact CD2-CG2 4.08Å; Y103-I105 HydrophobicContact CE2-CG2 3.8Å; I105-S108 WeakPolarHBondContact O-CB 3.38Å; I105-S108 PolarHBondContact O-N 2.93Å; I105-V110 HydrophobicContact CD1-CB 4.07Å; I105-V110 HydrophobicContact CD1-CG1 4Å; I105-V110 HydrophobicContact CD1-CG2 3.78Å
106	G	77.9	Confident	85.3	Confident	28 Å²	28	49.2 Å²	49.2	29%	0.289	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-131	-178.1	0	0	0	0	0	112.5	R95 S104 S108	R95-G106 VanDerWaalsContact CZ-O 3.29Å; R95-G106 PolarHBondContact NE-O 3.3Å; R95-G106 PolarHBondContact NH2-O 3.22Å; S104-G106 PolarHBondContact OG-N 3.15Å; G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 2.85Å
107	P	76.1	Confident	85.4	Confident	110 Å²	110	48.2 Å²	48.2	71%	0.714	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.9	177.5	33.2	-35.7	0	0	0	114.2	T430	P107-T430 HydrophobicContact CG-CG2 4.39Å
108	S	74.6	Confident	85	Confident	16 Å²	16	50.9 Å²	50.9	11%	0.112	28%	0.281	C	S	.	.	S	Bend	trans	-70.2	162.3	-168.7	-160.5	0	0	0	0	114.8	R95 I105 G106 V110	R95-S108 PolarHBondContact NH2-O 2.95Å; I105-S108 WeakPolarHBondContact O-CB 3.38Å; I105-S108 PolarHBondContact O-N 2.93Å; G106-S108 VanDerWaalsContact C-N 3.27Å; G106-S108 PolarHBondContact O-N 2.85Å; S108-V110 PolarHBondContact O-N 3.04Å
109	S	86.3	Confident	85	Confident	61 Å²	61	49.7 Å²	49.7	43%	0.427	27%	0.273	S	S	.	.			trans	-72.3	117.2	179.6	-170.7	0	0	0	0	111.2	R111 H112 H113	S109-R111 PolarHBondContact O-N 2.82Å; S109-H112 PolarHBondContact O-N 2.86Å; S109-H112 PolarHBondContact OG-ND1 3.17Å; S109-H113 PolarHBondContact O-N 2.59Å; S109-H113 PolarHBondContact O-ND1 3.45Å
110	V	86.5	Confident	85.2	Confident	20 Å²	20	48.2 Å²	48.2	12%	0.121	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.5	-178.5	-156	0	0	0	0	113	L80 V88 L90 V97 I105 S108 H113	L80-V110 HydrophobicContact CD1-CB 4.24Å; L80-V110 HydrophobicContact CD1-CG1 3.84Å; V88-V110 HydrophobicContact CG2-CG1 4.46Å; L90-V110 HydrophobicContact CB-CG1 4.19Å; L90-V110 HydrophobicContact CD1-CG1 4.19Å; L90-V110 HydrophobicContact CD2-CG1 4.12Å; L90-V110 HydrophobicContact CD2-CG2 3.94Å; L90-V110 HydrophobicContact CG-CG1 4.39Å; V97-V110 HydrophobicContact CG2-CG1 4.1Å; I105-V110 HydrophobicContact CD1-CB 4.07Å; I105-V110 HydrophobicContact CD1-CG1 4Å; I105-V110 HydrophobicContact CD1-CG2 3.78Å; S108-V110 PolarHBondContact O-N 3.04Å; V110-H113 PolarHBondContact O-CE1 2.94Å; V110-H113 PolarHBondContact O-ND1 3.14Å; V110-H113 VanDerWaalsContact O-ND1 3.12Å
111	R	89	Confident	85.3	Confident	121 Å²	121	47.6 Å²	47.6	46%	0.457	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.8	180	-65.4	-171.5	-175.9	-96.4	11.1	114.9	R81 H82 I83 S109	R81-R111 PolarHBondContact O-NH1 3.12Å; H82-R111 PolarHBondContact CD2-O 3.45Å; H82-R111 PolarHBondContact NE2-O 2.97Å; I83-R111 VanDerWaalsContact CB-O 3.24Å; I83-R111 WeakPolarHBondContact CB-O 3.39Å; I83-R111 WeakPolarHBondContact CG2-O 3.35Å; I83-R111 PolarHBondContact N-O 2.79Å; S109-R111 PolarHBondContact O-N 2.82Å
112	H	87.6	Confident	85.5	Confident	103 Å²	103	44.2 Å²	44.2	48%	0.477	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	11.8	-168.6	-51.9	100.1	0	0	0	114.8	S109	S109-H112 PolarHBondContact O-N 2.86Å; S109-H112 PolarHBondContact OG-ND1 3.17Å
113	H	87.2	Confident	85.6	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.019	23%	0.232	C	C	.	.	S	Bend	trans	-80.5	151.9	177.5	65	-80.4	0	0	0	110.7	H82 Y103 S109 V110	H82-H113 AromaticContact CD2-CE1 3.9Å; H82-H113 PolarHBondContact CE1-O 3.47Å; H82-H113 VanDerWaalsContact CE1-O 3.29Å; H82-H113 PolarHBondContact NE2-O 3.28Å; Y103-H113 AromaticContact CE2-CD2 3.84Å; Y103-H113 AromaticContact CE2-NE2 3.58Å; Y103-H113 AromaticContact CZ-NE2 3.81Å; Y103-H113 PolarHBondContact OH-NE2 2.82Å; Y103-H113 VanDerWaalsContact OH-NE2 3.13Å; S109-H113 PolarHBondContact O-N 2.59Å; S109-H113 PolarHBondContact O-ND1 3.45Å; V110-H113 PolarHBondContact O-CE1 2.94Å; V110-H113 PolarHBondContact O-ND1 3.14Å; V110-H113 VanDerWaalsContact O-ND1 3.12Å
114	R	88.8	Confident	85.6	Confident	81 Å²	81	40.6 Å²	40.6	31%	0.306	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-73.5	130.4	170.8	-60.7	174.8	179.2	-124.1	7.1	108.5	L387 L388 E428 Q431	R114-L387 HydrophobicContact CB-CB 3.83Å; R114-L387 HydrophobicContact CB-CD1 4.39Å; R114-L387 HydrophobicContact CB-CD2 4.42Å; R114-L387 HydrophobicContact CB-CG 4.44Å; R114-L388 VanDerWaalsContact CA-O 3.29Å; R114-L388 WeakPolarHBondContact CA-O 3.3Å; R114-L388 VanDerWaalsContact CB-O 3.28Å; R114-L388 WeakPolarHBondContact CB-O 3.38Å; R114-E428 IonicContact CZ-OE1 3.11Å; R114-E428 IonicContact NE-OE1 3.86Å; R114-E428 PolarHBondContact NE-OE1 2.62Å; R114-E428 IonicContact NH2-OE1 2.7Å; R114-E428 PolarHBondContact NH2-OE1 2.78Å; R114-E428 IonicContact NH2-OE2 2.71Å; R114-E428 PolarHBondContact NH2-OE2 2.9Å; R114-Q431 VanDerWaalsContact CB-OE1 3.26Å
115	I	89	Confident	85.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.9	-176.2	-68.5	165.5	0	0	0	108.5	H82 V88 L99 A119 I120 L388 I393	H82-I115 WeakPolarHBondContact ND1-CD1 3.08Å; V88-I115 HydrophobicContact CG1-CD1 4.34Å; L99-I115 HydrophobicContact CD1-CD1 4.14Å; L99-I115 HydrophobicContact CD1-CG2 3.67Å; I115-A119 HydrophobicContact CG2-CB 4.29Å; I115-I120 HydrophobicContact CG2-CD1 4.35Å; I115-I120 HydrophobicContact CG2-CG1 4.43Å; I115-L388 PolarHBondContact N-O 2.67Å; I115-L388 VanDerWaalsContact O-CB 3.28Å; I115-L388 WeakPolarHBondContact O-CB 3.29Å; I115-L388 PolarHBondContact O-N 3.39Å; I115-I393 HydrophobicContact CB-CD1 3.81Å; I115-I393 HydrophobicContact CD1-CD1 3.73Å; I115-I393 HydrophobicContact CG1-CD1 4.15Å
116	P	87.7	Confident	85.9	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.3	179.8	27.9	-34	0	0	0	111.5	Y103 S118 A119 S386 L387	Y103-P116 HydrophobicContact CD1-CG 3.79Å; Y103-P116 HydrophobicContact CD2-CG 3.94Å; Y103-P116 HydrophobicContact CE1-CG 4.15Å; Y103-P116 HydrophobicContact CE2-CG 4.26Å; Y103-P116 HydrophobicContact CG-CG 3.7Å; P116-S118 PolarHBondContact O-N 3.31Å; P116-A119 HydrophobicContact CG-CB 4.15Å; P116-A119 WeakPolarHBondContact O-CB 3.46Å; P116-A119 PolarHBondContact O-N 2.83Å; P116-S386 CarbonylContact C-O 3.56Å; P116-S386 WeakPolarHBondContact CA-O 3.42Å; P116-L387 HydrophobicContact CB-CD2 4.2Å
117	V	87.7	Confident	86.2	Confident	17 Å²	17	54.3 Å²	54.3	10%	0.103	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-48.1	-37	175.4	166.9	0	0	0	0	111.8	A119 I120 A124 K127 S386 L388	V117-A119 PolarHBondContact O-N 3.31Å; V117-I120 CarbonylContact O-C 3.58Å; V117-I120 PolarHBondContact O-N 3.05Å; V117-A124 HydrophobicContact CG1-CB 3.72Å; V117-K127 HydrophobicContact CG1-CD 4.26Å; V117-K127 HydrophobicContact CG2-CD 4Å; V117-S386 VanDerWaalsContact CG2-O 3.32Å; V117-S386 WeakPolarHBondContact CG2-O 3.29Å; V117-S386 PolarHBondContact N-O 3.18Å; V117-L388 HydrophobicContact CG2-CD1 4.03Å; V117-L388 HydrophobicContact CG2-CD2 3.71Å; V117-L388 HydrophobicContact CG2-CG 3.7Å
118	S	83.7	Confident	86.2	Confident	57 Å²	57	53.4 Å²	53.4	40%	0.399	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-62.3	-21.8	-179.8	58.6	0	0	0	0	114.6	R101 P116	R101-S118 WeakPolarHBondContact CD-O 3.28Å; R101-S118 PolarHBondContact NH1-O 2.95Å; P116-S118 PolarHBondContact O-N 3.31Å
119	A	89	Confident	86.3	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-84.5	-5.9	175.8	0	0	0	0	0	114	S100 Y103 I115 P116 V117	S100-A119 PolarHBondContact OG-O 3.49Å; Y103-A119 HydrophobicContact CD1-CB 3.8Å; Y103-A119 HydrophobicContact CE1-CB 3.55Å; I115-A119 HydrophobicContact CG2-CB 4.29Å; P116-A119 HydrophobicContact CG-CB 4.15Å; P116-A119 WeakPolarHBondContact O-CB 3.46Å; P116-A119 PolarHBondContact O-N 2.83Å; V117-A119 PolarHBondContact O-N 3.31Å
120	I	90	Very high	85.5	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.082	30%	0.298	C	S	.	.	S	Bend	trans	-122.3	83	173.9	-52.3	-177.7	0	0	0	107.9	L86 L99 I115 V117 C122 L123 A124 L388 I393 Y396	L86-I120 HydrophobicContact CD1-CD1 4.31Å; L99-I120 HydrophobicContact CD1-CG1 4.39Å; I115-I120 HydrophobicContact CG2-CD1 4.35Å; I115-I120 HydrophobicContact CG2-CG1 4.43Å; V117-I120 CarbonylContact O-C 3.58Å; V117-I120 PolarHBondContact O-N 3.05Å; I120-C122 VanDerWaalsContact C-N 3.31Å; I120-C122 PolarHBondContact O-N 2.69Å; I120-L123 HydrophobicContact CB-CB 4.07Å; I120-L123 HydrophobicContact CG2-CB 3.62Å; I120-L123 HydrophobicContact CG2-CD2 4.47Å; I120-L123 PolarHBondContact O-N 3.19Å; I120-A124 PolarHBondContact O-N 3.34Å; I120-L388 HydrophobicContact CD1-CD1 3.9Å; I120-I393 HydrophobicContact CD1-CG1 4.42Å; I120-Y396 HydrophobicContact CG2-CD1 4.25Å; I120-Y396 HydrophobicContact CG2-CE1 3.79Å
121	P	88.7	Confident	84.1	Confident	55 Å²	55	60.6 Å²	60.6	36%	0.357	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-33	-163.8	-24.8	34.7	0	0	0	114.6	S100 A124 Y125	S100-P121 WeakPolarHBondContact OG-CD 3.18Å; S100-P121 WeakPolarHBondContact OG-CG 3.23Å; P121-A124 PolarHBondContact O-N 3.25Å; P121-Y125 WeakPolarHBondContact O-CB 3.39Å; P121-Y125 PolarHBondContact O-N 3.42Å
122	C	89	Confident	82.1	Confident	71 Å²	71	61.5 Å²	61.5	48%	0.48	34%	0.336	S	S	.	.	H	α-helix	trans	-66.3	-38.1	174.9	42.5	0	0	0	0	112.4	I120 R126 Y396	I120-C122 VanDerWaalsContact C-N 3.31Å; I120-C122 PolarHBondContact O-N 2.69Å; C122-R126 WeakPolarHBondContact O-CB 3.49Å; C122-R126 PolarHBondContact O-N 3.33Å; C122-Y396 VanDerWaalsContact CB-OH 3.29Å; C122-Y396 WeakPolarHBondContact CB-OH 2.86Å; C122-Y396 PolarHBondContact SG-OH 3.14Å
123	L	89	Confident	80.1	Confident	12 Å²	12	64 Å²	64	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-73.3	-39.2	172.1	178.9	52.2	0	0	0	111.6	I120 Y125 R126 K127 L388 Y396	I120-L123 HydrophobicContact CB-CB 4.07Å; I120-L123 HydrophobicContact CG2-CB 3.62Å; I120-L123 HydrophobicContact CG2-CD2 4.47Å; I120-L123 PolarHBondContact O-N 3.19Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.31Å; L123-R126 PolarHBondContact O-N 2.9Å; L123-K127 HydrophobicContact CD1-CG 4.27Å; L123-K127 PolarHBondContact O-N 2.98Å; L123-L388 HydrophobicContact CD2-CD1 3.51Å; L123-L388 HydrophobicContact CD2-CD2 3.99Å; L123-L388 HydrophobicContact CD2-CG 4.42Å; L123-Y396 HydrophobicContact CB-CD1 4.21Å; L123-Y396 HydrophobicContact CB-CD2 4.28Å; L123-Y396 HydrophobicContact CB-CE1 3.93Å; L123-Y396 HydrophobicContact CB-CE2 4Å; L123-Y396 HydrophobicContact CB-CG 4.38Å; L123-Y396 HydrophobicContact CD1-CD2 3.73Å; L123-Y396 HydrophobicContact CD1-CE2 4.01Å; L123-Y396 HydrophobicContact CD1-CG 4.19Å; L123-Y396 HydrophobicContact CD2-CD1 4.06Å; L123-Y396 HydrophobicContact CD2-CD2 4.28Å; L123-Y396 HydrophobicContact CD2-CG 3.88Å; L123-Y396 HydrophobicContact CG-CD2 4.31Å; L123-Y396 HydrophobicContact CG-CE2 4.47Å; L123-Y396 HydrophobicContact CG-CG 4.39Å
124	A	85.1	Confident	77.8	Confident	24 Å²	24	73.1 Å²	73.1	20%	0.198	38%	0.381	C	S	.	.	H	α-helix	trans	-58.3	-45.7	172.2	0	0	0	0	0	111.9	V117 I120 P121 K127 A128	V117-A124 HydrophobicContact CG1-CB 3.72Å; I120-A124 PolarHBondContact O-N 3.34Å; P121-A124 PolarHBondContact O-N 3.25Å; A124-K127 PolarHBondContact O-N 2.99Å; A124-A128 VanDerWaalsContact O-CB 3.24Å; A124-A128 WeakPolarHBondContact O-CB 3.33Å; A124-A128 PolarHBondContact O-N 3.12Å
125	Y	86	Confident	75.4	Confident	169 Å²	169	75.5 Å²	75.5	66%	0.663	41%	0.408	S	S	*	.	H	α-helix	trans	-63.9	-42.2	175.4	179.5	-100.4	0	0	0	112.1	P121 L123 A128 S129	P121-Y125 WeakPolarHBondContact O-CB 3.39Å; P121-Y125 PolarHBondContact O-N 3.42Å; L123-Y125 VanDerWaalsContact C-N 3.34Å; L123-Y125 PolarHBondContact O-N 3.31Å; Y125-A128 PolarHBondContact O-N 3.35Å; Y125-S129 VanDerWaalsContact O-CB 3.28Å; Y125-S129 WeakPolarHBondContact O-CB 3.38Å; Y125-S129 PolarHBondContact O-N 2.96Å; Y125-S129 PolarHBondContact O-OG 3.29Å
126	R	85.4	Confident	72.8	Confident	89 Å²	89	82 Å²	82	34%	0.336	45%	0.447	S	S	.	.	H	α-helix	trans	-61.2	-48.9	175.5	-177.5	177.4	-104.9	165.3	-1.8	111.8	C122 L123 S129 G130	C122-R126 WeakPolarHBondContact O-CB 3.49Å; C122-R126 PolarHBondContact O-N 3.33Å; L123-R126 PolarHBondContact O-N 2.9Å; R126-S129 PolarHBondContact O-N 3.18Å; R126-G130 PolarHBondContact O-N 2.85Å
127	K	83.2	Confident	70.4	Confident	110 Å²	110	90.1 Å²	90.1	48%	0.478	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-45.2	175.2	-76.9	-166.7	174.1	-170.7	0	111.5	V117 L123 A124 S129 G130	V117-K127 HydrophobicContact CG1-CD 4.26Å; V117-K127 HydrophobicContact CG2-CD 4Å; L123-K127 HydrophobicContact CD1-CG 4.27Å; L123-K127 PolarHBondContact O-N 2.98Å; A124-K127 PolarHBondContact O-N 2.99Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 3.14Å; K127-G130 PolarHBondContact O-N 3.22Å
128	A	76.1	Confident	67.6	Low	90 Å²	90	94 Å²	94	74%	0.744	51%	0.513	S	S	*	.	H	α-helix	trans	-66.3	-25.9	178.7	0	0	0	0	0	114	A124 Y125	A124-A128 VanDerWaalsContact O-CB 3.24Å; A124-A128 WeakPolarHBondContact O-CB 3.33Å; A124-A128 PolarHBondContact O-N 3.12Å; Y125-A128 PolarHBondContact O-N 3.35Å
129	S	77.9	Confident	65.4	Low	46 Å²	46	100.6 Å²	100.6	32%	0.322	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.8	-179.8	-59	0	0	0	0	114.3	Y125 R126 K127 K131	Y125-S129 VanDerWaalsContact O-CB 3.28Å; Y125-S129 WeakPolarHBondContact O-CB 3.38Å; Y125-S129 PolarHBondContact O-N 2.96Å; Y125-S129 PolarHBondContact O-OG 3.29Å; R126-S129 PolarHBondContact O-N 3.18Å; K127-S129 VanDerWaalsContact C-N 3.28Å; K127-S129 PolarHBondContact O-N 3.14Å; S129-K131 PolarHBondContact O-N 3Å
130	G	68.8	Low	62.9	Low	61 Å²	61	109.9 Å²	109.9	63%	0.629	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	65	5	-179.5	0	0	0	0	0	116	R126 K127 N132	R126-G130 PolarHBondContact O-N 2.85Å; K127-G130 PolarHBondContact O-N 3.22Å; G130-N132 PolarHBondContact O-N 3.31Å
131	K	57.5	Low	60.2	Low	141 Å²	141	115.4 Å²	115.4	61%	0.613	61%	0.611	S	S	*	*			trans	-82.1	82	-175.1	-69.3	-173.5	179.2	-177.7	0	111.9	S129 F133	S129-K131 PolarHBondContact O-N 3Å; K131-F133 PolarHBondContact O-N 2.86Å
132	N	46	Very low	57.7	Low	141 Å²	141	118.5 Å²	118.5	75%	0.754	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-70	118.3	161.3	-72.9	-7.8	0	0	0	109.1	G130	G130-N132 PolarHBondContact O-N 3.31Å
133	F	45.6	Very low	55	Low	156 Å²	156	120.1 Å²	120.1	68%	0.684	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-98.1	121.3	168.3	-100.6	-94.8	0	0	0	108.7	K131	K131-F133 PolarHBondContact O-N 2.86Å
134	Y	40.5	Very low	52.6	Low	194 Å²	194	128.7 Å²	128.7	76%	0.761	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-66.2	148.2	164.8	-37.6	-73.6	0	0	0	108.9	T136	Y134-T136 PolarHBondContact O-N 3.14Å; Y134-T136 VanDerWaalsContact O-N 3.14Å
135	P	38.6	Very low	50.1	Low	132 Å²	132	136.1 Å²	136.1	86%	0.857	71%	0.708	S	S	*	*			trans	-70.1	110.5	179.2	-16.2	30.9	0	0	0	110.9
136	T	34.4	Very low	47.7	Very low	135 Å²	135	134.2 Å²	134.2	83%	0.828	72%	0.715	S	S	*	*			trans	-70.4	141.9	165.4	-42.9	0	0	0	0	109.4	Y134	Y134-T136 PolarHBondContact O-N 3.14Å; Y134-T136 VanDerWaalsContact O-N 3.14Å
137	E	35.3	Very low	45.3	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	73%	0.734	S	S	*	*			trans	-73.1	143.1	-165	-58.5	-178.4	132.5	0	0	114.5
138	S	31	Very low	43.1	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	75%	0.748	S	S	*	*			trans	54.1	108	156.3	65.3	0	0	0	0	119.6
139	H	37.5	Very low	41.1	Very low	195 Å²	195	138.1 Å²	138.1	90%	0.903	75%	0.754	S	S	*	*			trans	-113.9	115.8	134.1	-93.7	-87.4	0	0	0	108.9
140	K	35.6	Very low	39	Very low	196 Å²	196	142.6 Å²	142.6	85%	0.852	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.1	129.5	174.1	-75.6	179	176.3	174	0	109.6	P142	K140-P142 WeakPolarHBondContact O-CD 3.31Å
141	V	33.3	Very low	37.4	Very low	132 Å²	132	148.8 Å²	148.8	80%	0.8	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-80.5	123.3	168.7	-179.7	0	0	0	0	109.3
142	P	35.7	Very low	36.3	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.2	122	168.6	-11.8	29.1	0	0	0	110.2	K140	K140-P142 WeakPolarHBondContact O-CD 3.31Å
143	S	32.4	Very low	35.7	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	80%	0.795	S	S	*	*			trans	-91.7	107.2	-178.1	56.3	0	0	0	0	112.7
144	K	38.2	Very low	35.1	Very low	191 Å²	191	147.6 Å²	147.6	83%	0.83	79%	0.794	S	S	*	*			trans	172.9	144.2	162	-98.6	155	-177.6	-174.4	0	108.8
145	F	33.6	Very low	34.9	Very low	180 Å²	180	148 Å²	148	79%	0.789	80%	0.8	S	S	*	*			cis	-166.2	162.1	-15.5	-148.6	-102.8	0	0	0	108.6
146	T	35.6	Very low	34.5	Very low	130 Å²	130	147.9 Å²	147.9	80%	0.798	80%	0.797	S	S	*	*			trans	71.3	169.4	165.9	6.1	0	0	0	0	119.3
147	S	34.7	Very low	34.5	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	80%	0.8	S	S	*	*			trans	-99	162.6	-159.4	46.6	0	0	0	0	115.1
148	P	36.5	Very low	34.2	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	79%	0.793	S	S	*	*			trans	-93.9	162.8	-167.6	37.8	-37.1	0	0	0	115.1
149	V	35.5	Very low	34.2	Very low	145 Å²	145	145.8 Å²	145.8	88%	0.879	80%	0.798	S	S	*	*			trans	-131.6	142	155.7	-178.3	0	0	0	0	107.4
150	N	33.9	Very low	34.1	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	79%	0.794	S	S	*	*			trans	-76.5	150.8	178.2	-66.2	-21.7	0	0	0	111.2
151	E	34.1	Very low	33.9	Very low	191 Å²	191	142.4 Å²	142.4	89%	0.893	79%	0.794	S	S	*	*				-159.1	152.1	111	-113.3	175.1	-176.4	0	0	112.8
152	L	34	Very low	34.1	Very low	129 Å²	129	142.5 Å²	142.5	68%	0.675	79%	0.786	S	S	*	*			trans	-85.1	149.3	178.1	-92.6	66.6	0	0	0	110.4
153	N	34.3	Very low	34.3	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	78%	0.783	S	S	*	*			trans	-144.4	115.2	144.5	-140.6	-36.3	0	0	0	111.5
154	N	33.2	Very low	34.4	Very low	124 Å²	124	145 Å²	145	66%	0.663	79%	0.785	S	S	*	*			trans	-91.2	127.6	-171.4	-69.7	-30.1	0	0	0	111.4
155	K	34.9	Very low	34.5	Very low	202 Å²	202	141.2 Å²	141.2	88%	0.878	78%	0.78	S	S	*	*			trans	-133.3	99.8	157.9	-76	-167.5	176.2	175.6	0	112.2
156	T	30.7	Very low	34.7	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	78%	0.781	S	S	*	*			trans	-68.3	128.5	175.8	-52	0	0	0	0	112
157	V	33.6	Very low	34.8	Very low	145 Å²	145	139.4 Å²	139.4	88%	0.879	78%	0.779	S	S	*	*			trans	-136.3	143.2	158.5	-177.1	0	0	0	0	107.7
158	C	30.9	Very low	35	Very low	101 Å²	101	141.3 Å²	141.3	68%	0.682	78%	0.779	S	S	*	*			trans	-140	119.6	-164.6	-173.1	0	0	0	0	113
159	C	29.2	Very low	34.9	Very low	118 Å²	118	141.2 Å²	141.2	80%	0.797	78%	0.778	S	S	*	*			trans	62.8	175.8	164.5	-65.1	0	0	0	0	115.8
160	P	37.2	Very low	35.2	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	77%	0.77	S	S	*	*			cis	-128	179.7	-1.9	42.4	-27	0	0	0	116.4
161	F	31.3	Very low	35.5	Very low	195 Å²	195	140 Å²	140	86%	0.855	77%	0.77	S	S	*	*			trans	-53.9	138.8	168.7	-158.2	-106.3	0	0	0	114.7
162	E	37.5	Very low	35.8	Very low	135 Å²	135	137.5 Å²	137.5	63%	0.631	76%	0.762	S	S	*	*				178.5	145	119.6	-100.4	-157.3	139.1	0	0	116.8
163	K	38.2	Very low	36.1	Very low	167 Å²	167	136.9 Å²	136.9	73%	0.726	76%	0.758	S	S	*	*			trans	72.7	153.6	150.3	-71.5	161.6	-178.5	148	0	120.8
164	S	34.6	Very low	36.4	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	76%	0.755	S	S	*	*			trans	-161.4	-173.5	-158.2	57	0	0	0	0	108.9
165	P	41.6	Very low	36.3	Very low	112 Å²	112	136.8 Å²	136.8	73%	0.727	76%	0.757	S	S	*	*				-134.6	169.1	-54.4	36.4	-21.2	0	0	0	113.3
166	T	36.3	Very low	36.4	Very low	131 Å²	131	133.4 Å²	133.4	80%	0.804	75%	0.747	S	S	*	*			trans	-154.1	133.4	159	-5.3	0	0	0	0	113.7
167	N	38.9	Very low	36.6	Very low	140 Å²	140	135.1 Å²	135.1	75%	0.749	75%	0.746	S	S	*	*			trans	17.5	147.5	144.6	-59	-7.9	0	0	0	121.1
168	I	39.5	Very low	36.8	Very low	148 Å²	148	135.9 Å²	135.9	76%	0.759	74%	0.738	S	S	*	*			cis	-163	160.8	-5.2	-113.9	162.9	0	0	0	107.3
169	P	34.3	Very low	36.9	Very low	116 Å²	116	139 Å²	139	75%	0.753	75%	0.746	S	S	*	*			trans	-98.6	-162.7	-158	40.5	-40.1	0	0	0	117.2
170	S	41	Very low	37.2	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	74%	0.738	S	S	*	*			trans	82.8	141	-167.5	-77.5	0	0	0	0	114.2
171	E	40.9	Very low	37.2	Very low	160 Å²	160	140.5 Å²	140.5	75%	0.748	74%	0.739	S	S	*	*			cis	-155.2	162.1	6.3	-127.9	142	-116.5	0	0	110.3
172	D	38.9	Very low	37.4	Very low	137 Å²	137	135 Å²	135	73%	0.733	73%	0.725	S	S	*	*			trans	40.5	153.5	144.8	-76.8	17.9	0	0	0	124.2
173	I	41.6	Very low	37.5	Very low	116 Å²	116	136.2 Å²	136.2	60%	0.595	73%	0.73	S	S	*	*			cis	-167.2	144.6	-27.2	-138.1	172.6	0	0	0	108.6
174	Q	39.9	Very low	37.4	Very low	166 Å²	166	135.5 Å²	135.5	78%	0.776	73%	0.73	S	S	*	*			trans	62	168.2	161.5	-64.7	178.1	51.7	0	0	119.3
175	T	32.3	Very low	37.5	Very low	115 Å²	115	133.9 Å²	133.9	71%	0.706	72%	0.718	S	S	*	*			cis	-162.5	179.2	-41.1	-67	0	0	0	0	107
176	I	36.2	Very low	37.2	Very low	131 Å²	131	135.8 Å²	135.8	67%	0.672	72%	0.722	S	S	*	*			trans	101.2	110.5	153	-60.9	-172.5	0	0	0	119.1
177	Q	35.5	Very low	37.1	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	72%	0.722	S	S	*	*			trans	54.3	124.8	143	-61.6	164.7	19.4	0	0	119.6
178	K	36.4	Very low	37	Very low	162 Å²	162	138.7 Å²	138.7	70%	0.704	73%	0.727	S	S	*	*			cis	78.5	120.6	50	-173	-168.8	177.7	-176.1	0	113.6	D180	K178-D180 WeakPolarHBondContact CE-OD2 3.4Å; K178-D180 IonicContact NZ-OD2 2.73Å; K178-D180 PolarHBondContact NZ-OD2 3.28Å
179	L	34.5	Very low	36.9	Very low	165 Å²	165	139.4 Å²	139.4	86%	0.864	73%	0.727	S	S	*	*			trans	-159.3	146.9	136.2	-105.1	168.8	0	0	0	110.1
180	D	34.5	Very low	36.7	Very low	115 Å²	115	139 Å²	139	62%	0.615	72%	0.721	S	S	*	*			trans	-104.1	-175	-176.8	-59.8	-76.6	0	0	0	111.5	K178	K178-D180 WeakPolarHBondContact CE-OD2 3.4Å; K178-D180 IonicContact NZ-OD2 2.73Å; K178-D180 PolarHBondContact NZ-OD2 3.28Å
181	L	37.4	Very low	36.2	Very low	160 Å²	160	138.7 Å²	138.7	84%	0.838	72%	0.719	S	S	*	*			trans	126.5	145.2	153.7	-67.2	163.3	0	0	0	114
182	S	36	Very low	35.8	Very low	81 Å²	81	137.3 Å²	137.3	57%	0.566	72%	0.722	S	S	*	*			cis	177.3	173.4	-33.4	51.6	0	0	0	0	110.1
183	H	39	Very low	35.6	Very low	160 Å²	160	137.8 Å²	137.8	74%	0.741	72%	0.723	S	S	*	*			trans	68.2	158.9	171.9	-77.1	-115.1	0	0	0	115.7
184	E	36	Very low	35.2	Very low	152 Å²	152	138.4 Å²	138.4	71%	0.71	73%	0.727	S	S	*	*			cis	-177.9	174.9	-23.2	-101.1	-153.2	105.2	0	0	107
185	S	36.3	Very low	34.9	Very low	77 Å²	77	137.1 Å²	137.1	54%	0.538	73%	0.726	S	S	.	*			cis	-171.8	179.6	-24.2	-93.3	0	0	0	0	108.3
186	L	36.2	Very low	35.1	Very low	152 Å²	152	141 Å²	141	80%	0.796	73%	0.733	S	S	*	*			trans	72.1	113.9	171.2	-50	169.8	0	0	0	114.7
187	E	33.8	Very low	35.2	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	74%	0.736	S	S	*	*			cis	75.2	115.3	45.6	-60	-175.5	-124.2	0	0	115
188	D	36.8	Very low	35.3	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	73%	0.733	S	S	*	*			trans	-174.8	137.5	134.5	-102	-21.1	0	0	0	114
189	E	37.3	Very low	35.4	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	74%	0.735	S	S	*	*			trans	14.2	154.7	141.3	-66.4	-81.1	99.7	0	0	123.1
190	V	29.9	Very low	35.5	Very low	106 Å²	106	140.7 Å²	140.7	64%	0.642	73%	0.728	S	S	*	*			cis	-172.1	160.8	-22.2	80.4	0	0	0	0	112.5
191	S	31.7	Very low	35.5	Very low	95 Å²	95	142.9 Å²	142.9	66%	0.664	74%	0.739	S	S	*	*			trans	79	118.4	153.6	72.2	0	0	0	0	125.8
192	V	32	Very low	35.4	Very low	131 Å²	131	140.3 Å²	140.3	79%	0.794	73%	0.732	S	S	*	*				40	135.5	124.4	-157.4	0	0	0	0	122.7
193	I	34.2	Very low	35.3	Very low	147 Å²	147	143.3 Å²	143.3	75%	0.754	74%	0.74	S	S	*	*				167.7	129.8	124.1	-87.2	169.9	0	0	0	116.2
194	N	32.9	Very low	35	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	74%	0.739	S	S	*	*			trans	48.6	116.7	154.3	-72.2	-24.1	0	0	0	123.4
195	N	33.1	Very low	34.9	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	74%	0.744	S	S	*	*				91.4	151.5	68.1	-87.1	-44.7	0	0	0	117.3
196	K	38.1	Very low	34.7	Very low	197 Å²	197	145 Å²	145	86%	0.857	76%	0.758	S	S	*	*			trans	89.9	145.7	177.1	-56	-179.8	-179.5	-176	0	115.8
197	H	38.6	Very low	34.7	Very low	159 Å²	159	145.6 Å²	145.6	74%	0.736	76%	0.76	S	S	*	*			cis	-133.3	170	12.2	-150.9	-85.9	0	0	0	113.5	D199	H197-D199 IonicContact ND1-OD2 3.2Å
198	E	35.9	Very low	34.5	Very low	151 Å²	151	142.7 Å²	142.7	71%	0.706	76%	0.759	S	S	*	*			trans	-83.7	177.9	178.9	-47.1	-166.8	88.9	0	0	112.2
199	D	39.6	Very low	34.3	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	76%	0.757	S	S	*	*				-160.3	170.9	67.1	-93	-63	0	0	0	116.1	H197	H197-D199 IonicContact ND1-OD2 3.2Å
200	K	36.2	Very low	33.8	Very low	168 Å²	168	139 Å²	139	73%	0.73	76%	0.757	S	S	*	*			trans	-105.1	171	178.5	-63.3	160.3	178.3	-75.4	0	110.4
201	L	33.9	Very low	34	Very low	160 Å²	160	143.8 Å²	143.8	84%	0.838	77%	0.77	S	S	*	*				-173.2	172.9	63	-83.4	170.2	0	0	0	112
202	P	36.2	Very low	33.7	Very low	106 Å²	106	145.5 Å²	145.5	69%	0.688	78%	0.777	S	S	*	*			trans	-122.8	-167.7	-178.3	35.3	-15.5	0	0	0	114.9
203	I	33.6	Very low	33.7	Very low	145 Å²	145	144.3 Å²	144.3	74%	0.744	78%	0.775	S	S	*	*			trans	118.4	121.4	154.5	-65.3	167.4	0	0	0	117.1
204	T	31.7	Very low	33.4	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.724	77%	0.773	S	S	*	*			trans	27.8	161.9	152.3	71.5	0	0	0	0	121.6
205	D	34.9	Very low	33.4	Very low	150 Å²	150	147.7 Å²	147.7	80%	0.802	78%	0.784	S	S	*	*			cis	-147	173	42.9	-75.7	-36.4	0	0	0	114.9
206	D	31	Very low	33.3	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	79%	0.785	S	S	*	*			trans	-70.7	159.7	172.3	-71.8	-64.7	0	0	0	114.2
207	I	36.8	Very low	33.1	Very low	165 Å²	165	145.6 Å²	145.6	85%	0.846	78%	0.782	S	S	*	*			trans	-160.3	136.2	137.5	-104.5	151.9	0	0	0	110.6
208	S	29.5	Very low	32.7	Very low	114 Å²	114	144.4 Å²	144.4	80%	0.797	78%	0.781	S	S	*	*			trans	-109.5	138.1	172.1	60	0	0	0	0	111
209	V	33.9	Very low	32.4	Very low	133 Å²	133	146.3 Å²	146.3	81%	0.806	79%	0.787	S	S	*	*			trans	-143.8	121.9	165.8	-94.9	0	0	0	0	111.7
210	S	26.7	Very low	32	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	79%	0.786	S	S	*	*			trans	-110.8	138.1	167.7	55.9	0	0	0	0	109.4
211	F	32.7	Very low	32	Very low	207 Å²	207	144 Å²	144	91%	0.908	79%	0.79	S	S	*	*			trans	-140.8	138.3	168.6	-108.9	-81.1	0	0	0	112.8
212	T	25.1	Very low	32	Very low	131 Å²	131	142.3 Å²	142.3	80%	0.804	79%	0.789	S	S	*	*			trans	-126.9	130.9	-178.3	52.1	0	0	0	0	110.7
213	S	32.5	Very low	31.7	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	79%	0.792	S	S	*	*			trans	178.5	116.8	151.7	-167.3	0	0	0	0	106.9
214	S	28.3	Very low	31.9	Very low	103 Å²	103	146 Å²	146	72%	0.72	80%	0.798	S	S	*	*				62.4	101.5	65.8	-56.3	0	0	0	0	114.2
215	R	33.9	Very low	31.8	Very low	243 Å²	243	146.4 Å²	146.4	92%	0.917	80%	0.797	S	S	*	*				179.4	154.5	113.9	-98.1	174.1	179.2	-175.6	-0.2	115.2
216	N	29.6	Very low	32	Very low	143 Å²	143	146.9 Å²	146.9	77%	0.765	80%	0.799	S	S	*	*			trans	-69.3	154.3	-174.2	-42	-13.9	0	0	0	114.2
217	N	33.9	Very low	32.1	Very low	151 Å²	151	146 Å²	146	81%	0.807	80%	0.795	S	S	*	*				166.9	166.1	117.9	-83.4	-12.7	0	0	0	111.2
218	L	31.3	Very low	31.9	Very low	134 Å²	134	146.4 Å²	146.4	70%	0.702	79%	0.792	S	S	*	*			cis	178.7	124.1	-40.3	-179.1	70.5	0	0	0	107.3
219	F	29.2	Very low	32.1	Very low	190 Å²	190	148.9 Å²	148.9	83%	0.833	80%	0.796	S	S	*	*			trans	64.6	162.7	166.1	-84.1	-131.2	0	0	0	116.7
220	S	30.8	Very low	31.8	Very low	106 Å²	106	151.1 Å²	151.1	74%	0.741	80%	0.796	S	S	*	*			cis	-136.8	166.4	4.8	-63.8	0	0	0	0	112.2
221	L	35.9	Very low	32	Very low	155 Å²	155	151.4 Å²	151.4	81%	0.812	79%	0.792	S	S	*	*			trans	-83.1	174.3	158	-77.1	161.8	0	0	0	111.2
222	P	34.1	Very low	31.9	Very low	124 Å²	124	148.7 Å²	148.7	81%	0.805	79%	0.787	S	S	*	*				-130.3	166.3	107	38.6	-32.9	0	0	0	114.3
223	E	30.1	Very low	32	Very low	164 Å²	164	147.8 Å²	147.8	77%	0.766	78%	0.781	S	S	*	*			trans	-86	163.4	172.7	-54.3	177.3	136.2	0	0	111.3
224	D	38.2	Very low	31.9	Very low	163 Å²	163	151.6 Å²	151.6	87%	0.872	79%	0.79	S	S	*	*			trans	-143.8	127.5	154	-128.3	-28	0	0	0	109.5
225	N	30.1	Very low	31.9	Very low	128 Å²	128	155.5 Å²	155.5	68%	0.684	79%	0.794	S	S	*	*			trans	-100.5	139.4	-178.1	-83.5	-75.4	0	0	0	110.1
226	N	37.8	Very low	31.8	Very low	159 Å²	159	149.1 Å²	149.1	85%	0.85	79%	0.787	S	S	*	*			trans	-152.5	140	151.3	-105.8	-57.6	0	0	0	113.7
227	N	34.7	Very low	31.7	Very low	138 Å²	138	151.7 Å²	151.7	74%	0.738	79%	0.791	S	S	*	*			trans	-62.8	158	-160.5	-66.4	-56.1	0	0	0	117.3
228	H	31.2	Very low	31.5	Very low	173 Å²	173	151.1 Å²	151.1	80%	0.801	79%	0.788	S	S	*	*			trans	9	135.9	140.9	-72.8	-80.4	0	0	0	119.3
229	D	34	Very low	31.3	Very low	165 Å²	165	150.3 Å²	150.3	88%	0.882	79%	0.793	S	S	*	*				-144.2	172.3	109.1	-134.8	-32.8	0	0	0	112.6
230	F	27.3	Very low	31.5	Very low	181 Å²	181	147.5 Å²	147.5	79%	0.794	79%	0.787	S	S	*	*			trans	-106.9	-178.5	-165	-179	-116.9	0	0	0	113.3
231	V	31.2	Very low	31.4	Very low	114 Å²	114	152.6 Å²	152.6	69%	0.691	80%	0.796	S	S	*	*			trans	69.3	151.3	178.6	-35.1	0	0	0	0	116.9
232	D	30	Very low	31.4	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	78%	0.782	S	S	*	*			cis	-146.4	170.5	-6.9	-145.7	-21.5	0	0	0	112.8
233	V	27.6	Very low	31.3	Very low	112 Å²	112	153.3 Å²	153.3	68%	0.679	78%	0.784	S	S	*	*			trans	-90.7	121.6	-173.7	176.4	0	0	0	0	113	K235	V233-K235 HydrophobicContact CG1-CB 4.11Å
234	M	31.6	Very low	31.3	Very low	187 Å²	187	147.8 Å²	147.8	92%	0.921	77%	0.772	S	S	*	*			trans	-121.3	97.4	163.9	-93.7	-70.3	-178.8	0	0	111.4	S236	M234-S236 PolarHBondContact O-N 2.9Å
235	K	27.6	Very low	31.1	Very low	186 Å²	186	144.2 Å²	144.2	81%	0.809	75%	0.75	S	S	*	*			trans	-96.4	73.3	-168.2	-165	171.3	-173.2	169.6	0	112.4	V233 K237	V233-K235 HydrophobicContact CG1-CB 4.11Å; K235-K237 PolarHBondContact O-N 3.19Å
236	S	31	Very low	31.2	Very low	109 Å²	109	144.2 Å²	144.2	76%	0.762	75%	0.749	S	S	*	*			trans	-72.9	106.1	-177.5	44.6	0	0	0	0	113.5	M234 N238	M234-S236 PolarHBondContact O-N 2.9Å; S236-N238 PolarHBondContact O-N 3.04Å
237	K	27.7	Very low	31.1	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.857	74%	0.741	S	S	*	*			trans	-74.4	98.9	173.5	-69.5	177.7	177.9	175.2	0	111.5	K235	K235-K237 PolarHBondContact O-N 3.19Å
238	N	30.1	Very low	30.9	Very low	138 Å²	138	139.1 Å²	139.1	74%	0.738	74%	0.736	S	S	*	*			trans	-104.8	102.7	163.3	-77.8	5.1	0	0	0	110.3	S236 D240	S236-N238 PolarHBondContact O-N 3.04Å; N238-D240 PolarHBondContact O-N 3.42Å
239	S	27.3	Very low	30.9	Very low	117 Å²	117	134 Å²	134	82%	0.818	73%	0.73	S	S	*	*			trans	-92.9	73.8	179.8	59	0	0	0	0	111.8	K241	S239-K241 PolarHBondContact O-N 3.17Å
240	D	33.3	Very low	30.8	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	72%	0.721	S	S	*	*			trans	-77.9	113.5	173.9	-70.4	-46.4	0	0	0	110.8	N238 E242	N238-D240 PolarHBondContact O-N 3.42Å; D240-E242 PolarHBondContact O-N 2.87Å; D240-E242 VanDerWaalsContact O-N 3.12Å
241	K	29.5	Very low	31.3	Very low	213 Å²	213	130.7 Å²	130.7	93%	0.926	72%	0.721	S	S	*	*			trans	-69.6	99.9	168.5	-77.7	-176	172.3	-176.9	0	109.6	S239	S239-K241 PolarHBondContact O-N 3.17Å
242	E	35.3	Very low	31.3	Very low	111 Å²	111	133 Å²	133	52%	0.519	72%	0.724	S	S	.	*			trans	-86.3	127.7	164.4	-75.3	-172.1	118.4	0	0	110.2	D240 K634	D240-E242 PolarHBondContact O-N 2.87Å; D240-E242 VanDerWaalsContact O-N 3.12Å; E242-K634 WeakPolarHBondContact OE2-CD 3.32Å; E242-K634 IonicContact OE2-NZ 3.5Å; E242-K634 PolarHBondContact OE2-NZ 3.4Å
243	E	30.8	Very low	31.7	Very low	182 Å²	182	137 Å²	137	85%	0.85	73%	0.728	S	S	*	*			trans	-81.5	147.6	175.9	-64	-175.3	163.2	0	0	112.2	R635	E243-R635 PolarHBondContact O-NH2 3.33Å
244	G	30.1	Very low	32.1	Very low	49 Å²	49	140 Å²	140	51%	0.505	74%	0.735	S	S	.	*			trans	82.8	79.5	153.8	0	0	0	0	0	117.3	R635	G244-R635 VanDerWaalsContact O-CZ 3.31Å; G244-R635 PolarHBondContact O-NH1 3.39Å; G244-R635 PolarHBondContact O-NH2 3.13Å
245	E	34.4	Very low	32	Very low	88 Å²	88	138.8 Å²	138.8	41%	0.411	73%	0.732	S	S	.	*				-127.8	116.2	118.8	-69.1	-163.5	-176.4	0	0	107.4	S247 R635	E245-S247 PolarHBondContact O-N 3.02Å; E245-R635 VanDerWaalsContact CG-NH1 3.27Å; E245-R635 IonicContact OE1-NH1 3.81Å; E245-R635 PolarHBondContact OE1-NH1 3.08Å
246	L	32.6	Very low	32.3	Very low	128 Å²	128	134.3 Å²	134.3	67%	0.67	72%	0.724	S	S	*	*			trans	-81.6	53.6	174.4	-68.1	177.1	0	0	0	110.7	C474	L246-C474 HydrophobicContact CD1-CB 4.3Å
247	S	35.1	Very low	32.4	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	73%	0.73	S	S	*	*			trans	-72.8	146.3	158.1	-172.5	0	0	0	0	108.4	E245 G249	E245-S247 PolarHBondContact O-N 3.02Å; S247-G249 PolarHBondContact O-N 2.75Å
248	S	30.6	Very low	32.8	Very low	93 Å²	93	137.7 Å²	137.7	65%	0.65	73%	0.728	S	S	*	*			trans	-81.2	67.5	-177.5	62.7	0	0	0	0	112.1
249	G	32.6	Very low	32.9	Very low	65 Å²	65	138.1 Å²	138.1	67%	0.67	73%	0.73	S	S	*	*			trans	-78.9	147.1	160.5	0	0	0	0	0	110.7	S247	S247-G249 PolarHBondContact O-N 2.75Å
250	D	30.9	Very low	33.3	Very low	128 Å²	128	139.7 Å²	139.7	68%	0.684	73%	0.73	S	S	*	*			trans	-101.9	116.2	-174.3	-62.7	-67.3	0	0	0	111	K522	D250-K522 IonicContact OD1-NZ 3.04Å; D250-K522 PolarHBondContact OD1-NZ 3.35Å; D250-K522 IonicContact OD2-NZ 2.65Å
251	D	38.6	Very low	33.3	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	73%	0.73	S	S	*	*			trans	-132.3	93.9	175	-103.6	-50.9	0	0	0	108.5	R253	D251-R253 PolarHBondContact O-N 3.41Å
252	E	31.8	Very low	33.6	Very low	163 Å²	163	139.6 Å²	139.6	76%	0.762	73%	0.729	S	S	*	*			trans	-78.9	102.5	165	-72.1	-90.4	130.5	0	0	107.8	K521	E252-K521 IonicContact OE1-NZ 3.19Å; E252-K521 IonicContact OE2-NZ 3.59Å; E252-K521 PolarHBondContact OE2-NZ 3.1Å; E252-K521 VanDerWaalsContact OE2-NZ 3.11Å
253	R	37.8	Very low	33.7	Very low	233 Å²	233	138.6 Å²	138.6	88%	0.879	74%	0.74	S	S	*	*			trans	-132.6	136.9	160.3	-73.6	-165.1	-179	-126.6	-3.5	110.7	D251	D251-R253 PolarHBondContact O-N 3.41Å
254	E	34.7	Very low	34.1	Very low	174 Å²	174	139.5 Å²	139.5	81%	0.813	74%	0.741	S	S	*	*			trans	-79.8	158.2	-164.3	-62.3	143.4	135.6	0	0	112.9
255	N	30.6	Very low	34.4	Very low	163 Å²	163	146.8 Å²	146.8	87%	0.872	76%	0.759	S	S	*	*			trans	-157.4	51.6	163	-122	-0	0	0	0	109.3	F257	N255-F257 PolarHBondContact O-N 2.98Å
256	S	33.3	Very low	34.4	Very low	92 Å²	92	147.5 Å²	147.5	64%	0.643	77%	0.771	S	S	*	*			trans	-76.2	106.7	167.5	39.5	0	0	0	0	109	E258	S256-E258 PolarHBondContact O-N 2.9Å
257	F	33.5	Very low	34.5	Very low	201 Å²	201	149.3 Å²	149.3	88%	0.882	78%	0.776	S	S	*	*			trans	-76.5	104.3	164.2	-121.1	-98.8	0	0	0	107.4	N255	N255-F257 PolarHBondContact O-N 2.98Å
258	E	35.9	Very low	34.7	Very low	176 Å²	176	152 Å²	152	82%	0.822	78%	0.782	S	S	*	*			trans	-84.6	120.7	168.1	-65.4	-164.9	149.9	0	0	109	S256	S256-E258 PolarHBondContact O-N 2.9Å
259	D	32.1	Very low	34.9	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	78%	0.781	S	S	*	*			trans	-111.7	64.9	-178.4	-166.5	12.1	0	0	0	108.8
260	D	36.4	Very low	35.1	Very low	151 Å²	151	157.2 Å²	157.2	81%	0.807	79%	0.787	S	S	*	*			trans	-85	124.9	180	-173	14.8	0	0	0	111.5
261	S	33.1	Very low	35.4	Very low	102 Å²	102	157.1 Å²	157.1	71%	0.713	79%	0.787	S	S	*	*			trans	-155.2	70.7	-177.5	54.6	0	0	0	0	113.5
262	R	35.3	Very low	35.5	Very low	240 Å²	240	157 Å²	157	91%	0.906	79%	0.786	S	S	*	*			trans	-136.8	125.8	168.5	-134.5	172.5	-174.4	-179.3	0.5	118.3
263	A	38	Very low	35.9	Very low	90 Å²	90	155.9 Å²	155.9	74%	0.744	79%	0.785	S	S	*	*			trans	71.6	83.1	149.6	0	0	0	0	0	121.4
264	K	37.9	Very low	35.9	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	78%	0.777	S	S	*	*				16.2	124.5	123.3	-61.1	173.7	176.1	175.2	0	118.4
265	K	37.2	Very low	36.1	Very low	202 Å²	202	147.9 Å²	147.9	88%	0.878	78%	0.779	S	S	*	*				-169.6	164.2	92.1	-98.4	-172.1	178.4	-178	0	112.1
266	P	35.5	Very low	36.5	Very low	103 Å²	103	143.6 Å²	143.6	67%	0.669	77%	0.773	S	S	*	*			trans	-126.6	-165.5	-158.5	42.8	-27.2	0	0	0	115.6
267	H	33.2	Very low	36.6	Very low	166 Å²	166	142.8 Å²	142.8	77%	0.769	78%	0.78	S	S	*	*			trans	83.7	146.4	179.8	-65.6	-70.3	0	0	0	115.4
268	L	38.9	Very low	36.8	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	78%	0.781	S	S	*	*			cis	-141.7	-176.6	17.8	-129	156.7	0	0	0	112.5
269	N	34.9	Very low	37	Very low	117 Å²	117	134.8 Å²	134.8	63%	0.626	77%	0.771	S	S	*	*			trans	-95.4	167.3	-167.5	-48.9	-4	0	0	0	114.1
270	N	37.4	Very low	37.4	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	77%	0.774	S	S	*	*				-176.4	161.8	112.6	-90.3	-3.6	0	0	0	112.6
271	D	38.2	Very low	37.6	Very low	125 Å²	125	135.9 Å²	135.9	67%	0.668	77%	0.771	S	S	*	*			trans	-109.3	-166.9	-157.2	-49.1	-94.4	0	0	0	115.3
272	N	39.3	Very low	37.8	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	77%	0.766	S	S	*	*			trans	100.4	140.4	160.6	-49.9	-57.2	0	0	0	118.5
273	D	39.7	Very low	37.8	Very low	140 Å²	140	130.8 Å²	130.8	75%	0.749	76%	0.759	S	S	*	*			cis	-168.8	174.2	-29.1	-147	-17.3	0	0	0	112.5
274	V	39.7	Very low	37.5	Very low	117 Å²	117	132.8 Å²	132.8	71%	0.709	76%	0.757	S	S	*	*			trans	74.5	112.1	151	172.2	0	0	0	0	122.1
275	S	39.1	Very low	37.1	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	75%	0.752	S	S	*	*				49	146.8	129.3	-151.3	0	0	0	0	123.2
276	G	37.2	Very low	36.7	Very low	72 Å²	72	123.7 Å²	123.7	74%	0.742	74%	0.743	S	S	*	*			cis	156.5	166.9	-6	0	0	0	0	0	114.7
277	G	37.1	Very low	36.6	Very low	76 Å²	76	122.7 Å²	122.7	78%	0.784	74%	0.738	S	S	*	*			trans	96.4	156.3	172.2	0	0	0	0	0	116.9
278	V	37.3	Very low	36.4	Very low	149 Å²	149	121.8 Å²	121.8	90%	0.903	74%	0.739	S	S	*	*			cis	-174.9	151.2	-44.7	134.4	0	0	0	0	108.4
279	G	39.6	Very low	36.1	Very low	59 Å²	59	122.7 Å²	122.7	61%	0.608	74%	0.739	S	S	*	*			trans	124.1	109.8	177.8	0	0	0	0	0	111.8
280	E	40.9	Very low	35.8	Very low	183 Å²	183	123 Å²	123	86%	0.855	75%	0.745	S	S	*	*				75.9	130.8	62.2	-64	175.3	176	0	0	111.8
281	D	39	Very low	35.5	Very low	138 Å²	138	123.6 Å²	123.6	74%	0.738	75%	0.748	S	S	*	*			cis	-160.1	160.6	11.8	-153.6	-17.9	0	0	0	113.5
282	S	37.5	Very low	35	Very low	88 Å²	88	121.7 Å²	121.7	62%	0.615	75%	0.745	S	S	*	*			trans	53.5	162.6	147.4	-72.9	0	0	0	0	121.5
283	I	36.6	Very low	34.7	Very low	146 Å²	146	121.4 Å²	121.4	75%	0.749	74%	0.742	S	S	*	*			cis	-161.7	147.8	-21.4	-101	164.9	0	0	0	104.5
284	N	30.9	Very low	34.2	Very low	133 Å²	133	124.8 Å²	124.8	71%	0.711	74%	0.744	S	S	*	*			cis	119.4	140.1	4.1	-167.5	24.1	0	0	0	113.6
285	C	28.9	Very low	34	Very low	113 Å²	113	126 Å²	126	76%	0.764	75%	0.747	S	S	*	*			trans	64	164.4	177.7	-69.1	0	0	0	0	118
286	S	30.6	Very low	33.8	Very low	98 Å²	98	125.3 Å²	125.3	69%	0.685	74%	0.742	S	S	*	*			cis	-172.3	153.4	-30.8	177.5	0	0	0	0	111.8
287	S	32.1	Very low	33.6	Very low	83 Å²	83	129 Å²	129	58%	0.58	74%	0.744	S	S	*	*			trans	59	118.6	145.3	53.1	0	0	0	0	124.7
288	N	28.6	Very low	33.5	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	74%	0.744	S	S	*	*				80.1	161.8	123.1	-58.6	-8.3	0	0	0	123.5
289	E	33.2	Very low	33.3	Very low	172 Å²	172	132.1 Å²	132.1	80%	0.804	74%	0.736	S	S	*	*			trans	73	115.2	164.9	-46.3	-158.7	173.5	0	0	116.2
290	T	28	Very low	33.1	Very low	122 Å²	122	137.4 Å²	137.4	75%	0.748	75%	0.749	S	S	*	*			cis	84.2	145.9	48.9	63	0	0	0	0	115.8
291	L	32	Very low	32.6	Very low	165 Å²	165	133.3 Å²	133.3	86%	0.864	74%	0.736	S	S	*	*			trans	80.9	158.1	-176.8	-52.5	171.3	0	0	0	115.3
292	S	28	Very low	32.6	Very low	86 Å²	86	135.8 Å²	135.8	60%	0.601	74%	0.744	S	S	*	*			cis	-171.8	174.2	-46	58	0	0	0	0	109.5
293	L	32.3	Very low	32.4	Very low	141 Å²	141	139.2 Å²	139.2	74%	0.738	75%	0.75	S	S	*	*			trans	73.8	158	170.1	-54.1	168.4	0	0	0	116
294	R	30.1	Very low	32.4	Very low	211 Å²	211	138.4 Å²	138.4	80%	0.796	75%	0.752	S	S	*	*			cis	-164.5	-177.9	-45.7	-120.4	-178	-159.4	170.7	4.3	108.8
295	D	35.3	Very low	32.6	Very low	144 Å²	144	137 Å²	137	77%	0.77	75%	0.749	S	S	*	*			trans	77.6	147.5	165.4	-62.7	-48.2	0	0	0	119.3
296	S	33.9	Very low	32.9	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	75%	0.747	S	S	*	*			cis	-157.9	166.2	-27.4	-111.7	0	0	0	0	111.7
297	L	33.2	Very low	33	Very low	151 Å²	151	138 Å²	138	79%	0.791	75%	0.753	S	S	*	*			trans	-87.6	173.4	179.1	-123	81	0	0	0	111.4
298	P	35.1	Very low	33.1	Very low	119 Å²	119	138.8 Å²	138.8	77%	0.773	76%	0.757	S	S	*	*			cis	-150.4	174.3	48.4	42.1	-19.9	0	0	0	120.5
299	K	33.5	Very low	33.3	Very low	170 Å²	170	138.3 Å²	138.3	74%	0.739	75%	0.754	S	S	*	*			trans	-26.9	154.8	166	-57.5	171.6	172.8	-178.3	0	119.6	V301	K299-V301 HydrophobicContact CD-CG2 4.43Å
300	L	34.6	Very low	33.4	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	76%	0.755	S	S	*	*				-132.7	164.8	123.5	-140.9	142.6	0	0	0	109.2
301	V	32.1	Very low	33.7	Very low	96 Å²	96	137.2 Å²	137.2	58%	0.582	75%	0.753	S	S	*	*			trans	-140.8	144.3	-167.9	174.1	0	0	0	0	110.3	K299 E303	K299-V301 HydrophobicContact CD-CG2 4.43Å; V301-E303 HydrophobicContact CG1-CG 4.46Å
302	E	37.9	Very low	33.5	Very low	190 Å²	190	134.6 Å²	134.6	89%	0.888	74%	0.744	S	S	*	*			trans	-142.6	136.5	159.8	-155.3	156.6	-141.9	0	0	110
303	E	32.9	Very low	33.9	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	76%	0.758	S	S	*	*			trans	-101.3	-173.3	172.9	-61.1	-172.6	152.4	0	0	107.8	V301	V301-E303 HydrophobicContact CG1-CG 4.46Å
304	V	37.1	Very low	34	Very low	129 Å²	129	141.5 Å²	141.5	78%	0.782	76%	0.76	S	S	*	*			cis	-157.4	-165.9	39.7	-139.3	0	0	0	0	109.7
305	P	35.7	Very low	34	Very low	102 Å²	102	140.5 Å²	140.5	66%	0.662	76%	0.761	S	S	*	*				-132.8	-170.1	-115.2	46.9	-29.4	0	0	0	117.7
306	S	35.5	Very low	34.2	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	77%	0.765	S	S	*	*			trans	74.6	147.5	151.8	78.4	0	0	0	0	117.2
307	T	31.9	Very low	34.1	Very low	130 Å²	130	140.6 Å²	140.6	80%	0.798	77%	0.765	S	S	*	*			cis	-159.3	178.7	5	-10.5	0	0	0	0	108.6
308	C	34.4	Very low	34.2	Very low	99 Å²	99	141.3 Å²	141.3	67%	0.669	76%	0.764	S	S	*	*			cis	-156.7	161.7	-0.7	62.2	0	0	0	0	113.6
309	N	33.5	Very low	34.2	Very low	136 Å²	136	146.2 Å²	146.2	73%	0.727	77%	0.774	S	S	*	*			trans	53.1	146.2	136.2	-59.8	-2.4	0	0	0	126.2
310	N	35.2	Very low	34.1	Very low	152 Å²	152	141 Å²	141	81%	0.813	77%	0.768	S	S	*	*			trans	85.8	134.1	161.2	-56	-24.9	0	0	0	118.7
311	V	34	Very low	34.3	Very low	119 Å²	119	140.7 Å²	140.7	72%	0.721	77%	0.767	S	S	*	*			cis	-148.1	153.6	-16	128.1	0	0	0	0	108	Y313	V311-Y313 HydrophobicContact CG1-CD2 4.48Å
312	V	28.3	Very low	34.4	Very low	110 Å²	110	146.6 Å²	146.6	67%	0.667	78%	0.779	S	S	*	*			trans	-109.4	139.5	-176.7	175.4	0	0	0	0	112.2
313	Y	35.5	Very low	34.1	Very low	228 Å²	228	148.9 Å²	148.9	89%	0.894	78%	0.782	S	S	*	*			trans	-130.2	137.2	154.7	-89.8	-79.8	0	0	0	111.1	V311	V311-Y313 HydrophobicContact CG1-CD2 4.48Å
314	N	33.4	Very low	34.3	Very low	145 Å²	145	151.9 Å²	151.9	78%	0.775	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-89.6	150.3	-165.2	-73.1	-43.5	0	0	0	114.2
315	K	30.9	Very low	34.2	Very low	189 Å²	189	155.9 Å²	155.9	82%	0.822	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-94.8	137.2	157.8	-80.5	-176.3	174.4	178.9	0	110.1
316	P	40.2	Very low	33.9	Very low	132 Å²	132	159.4 Å²	159.4	86%	0.857	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69	147.8	157.4	30.2	-30.9	0	0	0	109.9
317	T	32.2	Very low	33.7	Very low	121 Å²	121	166.1 Å²	166.1	74%	0.742	81%	0.808	S	S	*	*			trans	-115.4	169.3	-173.2	52.2	0	0	0	0	112.2
318	H	34.3	Very low	34	Very low	165 Å²	165	171.3 Å²	171.3	76%	0.764	81%	0.812	S	S	*	*			trans	59.6	108.1	163.2	-92.2	-106.4	0	0	0	118.6
319	F	34.2	Very low	33.9	Very low	222 Å²	222	169.9 Å²	169.9	97%	0.974	82%	0.815	S	S	*	*				-138.8	123.7	105.9	-103.1	-78.5	0	0	0	109
320	G	31.5	Very low	33.8	Very low	61 Å²	61	171.3 Å²	171.3	63%	0.629	82%	0.823	S	S	*	*			trans	-109.5	140.1	179.2	0	0	0	0	0	110.5
321	N	39.6	Very low	33.8	Very low	164 Å²	164	172.3 Å²	172.3	88%	0.877	83%	0.827	S	S	*	*			trans	-125.2	142.2	170.5	-131.6	-21	0	0	0	111.8
322	R	34	Very low	33.7	Very low	221 Å²	221	172.3 Å²	172.3	83%	0.834	83%	0.827	S	S	*	*			trans	-98.4	123.3	-164	-69.9	166.9	-81	179.8	-6.3	110.5
323	Y	32.5	Very low	33.9	Very low	238 Å²	238	176.4 Å²	176.4	93%	0.933	84%	0.836	S	S	*	*			trans	-130.2	117.5	155.9	-101.5	-87	0	0	0	110.8
324	R	36.2	Very low	33.8	Very low	223 Å²	223	176.8 Å²	176.8	84%	0.842	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-80.3	132.9	178.2	-71	177.9	173	168.2	-3.4	109.4	F326	R324-F326 PolarHBondContact O-N 2.79Å
325	K	34.7	Very low	33.6	Very low	213 Å²	213	175 Å²	175	93%	0.926	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69.1	120.4	161.6	-67.2	-176.4	178.5	-177.1	0	108.5
326	F	30.4	Very low	33.7	Very low	177 Å²	177	172.1 Å²	172.1	78%	0.776	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-91	124.3	165.7	-109.7	-79.3	0	0	0	109.8	R324	R324-F326 PolarHBondContact O-N 2.79Å
327	R	31	Very low	33.1	Very low	244 Å²	244	173.8 Å²	173.8	92%	0.921	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-95.9	117	162	-90.4	-174.3	168.9	-174.1	-2.9	108.8
328	R	37.5	Very low	33.3	Very low	238 Å²	238	175.2 Å²	175.2	90%	0.898	85%	0.847	S	S	*	*			trans	-140.3	146.7	147.5	-72.3	-172.4	173.3	-170.8	-2.9	105
329	G	32.5	Very low	33.1	Very low	70 Å²	70	172.8 Å²	172.8	72%	0.722	85%	0.848	S	S	*	*			cis	139.4	114.6	7.7	0	0	0	0	0	107.1
330	N	30.8	Very low	33.3	Very low	166 Å²	166	168.4 Å²	168.4	89%	0.888	84%	0.842	S	S	*	*			trans	-59.5	140.2	-169.6	-64	-8.2	0	0	0	112.4
331	L	36.1	Very low	33.5	Very low	172 Å²	172	171.2 Å²	171.2	90%	0.901	85%	0.852	S	S	*	*			trans	-153.7	164.3	146.7	-135.6	70.9	0	0	0	112
332	T	32.9	Very low	33.1	Very low	120 Å²	120	170.5 Å²	170.5	74%	0.736	85%	0.848	S	S	*	*			trans	-94.5	151.1	-152.4	39.7	0	0	0	0	117.1
333	K	31.8	Very low	33.3	Very low	195 Å²	195	168.1 Å²	168.1	85%	0.848	85%	0.85	S	S	*	*			trans	35.6	118	142.6	-65.3	-176.8	174.5	-178.2	0	120.6
334	R	32.9	Very low	33.1	Very low	237 Å²	237	164.8 Å²	164.8	89%	0.894	84%	0.843	S	S	*	*				-176.9	119.7	124.2	-96.6	163.9	-172.7	-124.7	3.2	106.9
335	S	29.9	Very low	32.9	Very low	106 Å²	106	162.1 Å²	162.1	74%	0.741	85%	0.845	S	S	*	*			cis	80.1	92.6	43.7	81.6	0	0	0	0	114.9
336	C	32.9	Very low	32.8	Very low	130 Å²	130	156.6 Å²	156.6	88%	0.878	83%	0.833	S	S	*	*			trans	-146.4	142.7	151.5	49.6	0	0	0	0	108.7
337	L	27.8	Very low	32.9	Very low	166 Å²	166	157 Å²	157	87%	0.869	84%	0.838	S	S	*	*			trans	-111.6	153.9	178	-62.7	86.3	0	0	0	109.5
338	T	35	Very low	33.2	Very low	151 Å²	151	150.7 Å²	150.7	93%	0.926	83%	0.83	S	S	*	*			trans	-138	149.9	145.3	31.7	0	0	0	0	108.6
339	S	31.7	Very low	33	Very low	114 Å²	114	145.6 Å²	145.6	80%	0.797	82%	0.821	S	S	*	*			trans	-113.4	158.2	-162.1	49.1	0	0	0	0	113.3
340	P	36.7	Very low	33.3	Very low	130 Å²	130	149.9 Å²	149.9	84%	0.844	82%	0.822	S	S	*	*			trans	-85.5	168.2	-173.6	36.1	-37.6	0	0	0	113.9
341	S	36.7	Very low	33.5	Very low	120 Å²	120	148.9 Å²	148.9	84%	0.839	82%	0.815	S	S	*	*			trans	-116.8	130.2	170.4	41.3	0	0	0	0	111.4
342	N	31.9	Very low	33.5	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	80%	0.804	S	S	*	*			trans	-83	147.6	174.9	-87.6	-49.6	0	0	0	111.7
343	I	36.5	Very low	33.4	Very low	171 Å²	171	146.7 Å²	146.7	88%	0.877	81%	0.807	S	S	*	*			trans	-133.4	118.3	144	-59	-177.7	0	0	0	107.5
344	Q	28.5	Very low	33.5	Very low	167 Å²	167	146 Å²	146	78%	0.78	81%	0.812	S	S	*	*			trans	-106.6	159.4	162.7	-74.3	-172.4	-77.7	0	0	109
345	L	33.6	Very low	33.4	Very low	167 Å²	167	140.1 Å²	140.1	87%	0.874	81%	0.807	S	S	*	*			trans	148.3	140.1	157.1	-84.1	163.3	0	0	0	107.2
346	S	32.8	Very low	33.5	Very low	98 Å²	98	139.3 Å²	139.3	69%	0.685	81%	0.807	S	S	*	*			cis	-170.4	157.3	-26.5	39.2	0	0	0	0	107.5
347	E	30.7	Very low	33.2	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	81%	0.805	S	S	*	*			trans	-71	151.2	-175.8	-59.5	121.7	124.4	0	0	114.8
348	S	37.5	Very low	33.5	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	81%	0.808	S	S	*	*			trans	-175.3	124.1	130.1	32.4	0	0	0	0	113.3
349	D	34.8	Very low	33.4	Very low	132 Å²	132	140.4 Å²	140.4	71%	0.706	80%	0.799	S	S	*	*			trans	14.1	133.4	147.4	-48.8	-38.9	0	0	0	121.9
350	H	38.2	Very low	33.3	Very low	160 Å²	160	141.9 Å²	141.9	74%	0.741	80%	0.799	S	S	*	*				179	112.1	95.1	-88.6	-58.9	0	0	0	114.9
351	I	35	Very low	33.2	Very low	145 Å²	145	145.3 Å²	145.3	74%	0.744	80%	0.803	S	S	*	*				55.4	132.2	127.6	-61	175.1	0	0	0	121.7
352	S	35	Very low	33.1	Very low	94 Å²	94	143.7 Å²	143.7	66%	0.657	80%	0.797	S	S	*	*			trans	89.8	109.1	151.6	67.2	0	0	0	0	122
353	N	31	Very low	33.5	Very low	152 Å²	152	140.6 Å²	140.6	81%	0.813	79%	0.785	S	S	*	*				43.9	114.4	126	-53.4	-10.7	0	0	0	120.4
354	L	34.1	Very low	33.4	Very low	181 Å²	181	138.5 Å²	138.5	95%	0.948	78%	0.781	S	S	*	*				-165.1	167.3	108.6	-104	156.5	0	0	0	111.5
355	S	30.8	Very low	34	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	76%	0.757	S	S	*	*			trans	-107.3	163.4	-164.4	-50.9	0	0	0	0	114.4
356	A	32	Very low	34.7	Very low	89 Å²	89	127.2 Å²	127.2	74%	0.736	74%	0.736	S	S	*	*			trans	87.6	132.8	160.3	0	0	0	0	0	119.9
357	N	26.7	Very low	35.3	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	74%	0.737	S	S	*	*			trans	50.8	103.6	153.2	-64.3	-10.5	0	0	0	120.4
358	T	34	Very low	36.3	Very low	150 Å²	150	127.4 Å²	127.4	92%	0.92	73%	0.726	S	S	*	*			trans	-143.6	160.3	131.7	-48.4	0	0	0	0	109.6
359	Q	33.8	Very low	37.3	Very low	162 Å²	162	123.7 Å²	123.7	76%	0.757	70%	0.697	S	S	*	*			trans	-104.4	166	-171.9	-58.6	166.8	-17.3	0	0	112
360	N	30.1	Very low	38.3	Very low	146 Å²	146	123 Å²	123	78%	0.781	70%	0.698	S	S	*	*			trans	54.4	98.3	151	-57.1	-24.7	0	0	0	119.2
361	E	33.3	Very low	39.5	Very low	201 Å²	201	119 Å²	119	94%	0.939	69%	0.691	S	S	*	*			trans	-128.4	136.2	133.4	-73.1	-157.2	136.6	0	0	109.4
362	A	33.9	Very low	41.3	Very low	86 Å²	86	113.5 Å²	113.5	71%	0.711	67%	0.665	S	S	*	*			trans	-106	139.5	-176.9	0	0	0	0	0	110.8	T364	A362-T364 PolarHBondContact O-N 2.82Å; A362-T364 VanDerWaalsContact O-N 3.15Å
363	P	40.4	Very low	43.2	Very low	86 Å²	86	115.2 Å²	115.2	56%	0.558	66%	0.66	S	S	*	*			trans	-66.1	117.4	-177.1	26.1	-33.8	0	0	0	111.3	G365 T366	P363-G365 PolarHBondContact O-N 2.83Å; P363-T366 PolarHBondContact O-OG1 3.35Å
364	T	36.1	Very low	45.5	Very low	127 Å²	127	109 Å²	109	78%	0.779	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-64.4	-5	-172.5	15	0	0	0	0	115.3	A362 T366	A362-T364 PolarHBondContact O-N 2.82Å; A362-T364 VanDerWaalsContact O-N 3.15Å; T364-T366 VanDerWaalsContact C-N 3.33Å; T364-T366 PolarHBondContact O-N 2.82Å
365	G	40.1	Very low	47.7	Very low	28 Å²	28	103.6 Å²	103.6	29%	0.289	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-80.7	2	179.8	0	0	0	0	0	116.5	P363	P363-G365 PolarHBondContact O-N 2.83Å
366	T	48.2	Very low	49.9	Very low	68 Å²	68	98.8 Å²	98.8	42%	0.417	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-75.4	-20.9	-175.9	31.8	0	0	0	0	114.7	P363 T364 E368 I369	P363-T366 PolarHBondContact O-OG1 3.35Å; T364-T366 VanDerWaalsContact C-N 3.33Å; T364-T366 PolarHBondContact O-N 2.82Å; T366-E368 PolarHBondContact O-N 3.36Å; T366-I369 PolarHBondContact O-N 3.03Å
367	Q	46	Very low	51.9	Low	153 Å²	153	95.8 Å²	95.8	72%	0.715	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-68.2	-27.7	-166.5	-59.9	-172.2	14.8	0	0	114.9	I369	Q367-I369 VanDerWaalsContact C-N 3.26Å; Q367-I369 PolarHBondContact O-N 3.46Å
368	E	51.2	Low	54.1	Low	135 Å²	135	89 Å²	89	63%	0.631	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21.9	-178	-157.5	-171.2	-167.8	0	0	113	T366 R486	T366-E368 PolarHBondContact O-N 3.36Å; E368-R486 IonicContact OE1-NH2 3.24Å; E368-R486 IonicContact OE2-NH1 3.02Å
369	I	58.3	Low	55.7	Low	32 Å²	32	82.3 Å²	82.3	16%	0.164	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-92	-19	-173.5	-60.6	-177.5	0	0	0	112.8	T366 Q367 A371 V372 I484 Y513 L536	T366-I369 PolarHBondContact O-N 3.03Å; Q367-I369 VanDerWaalsContact C-N 3.26Å; Q367-I369 PolarHBondContact O-N 3.46Å; I369-A371 PolarHBondContact O-N 3.04Å; I369-V372 PolarHBondContact O-N 2.89Å; I369-I484 HydrophobicContact CD1-CD1 4.16Å; I369-Y513 HydrophobicContact CD1-CE1 4.18Å; I369-Y513 VanDerWaalsContact CD1-OH 3.3Å; I369-Y513 WeakPolarHBondContact CD1-OH 3.2Å; I369-L536 HydrophobicContact CD1-CD2 3.87Å
370	V	55.6	Low	57.2	Low	119 Å²	119	77.6 Å²	77.6	72%	0.721	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.9	-168.6	-177.1	0	0	0	0	114.1	V372	V370-V372 VanDerWaalsContact C-N 3.34Å; V370-V372 PolarHBondContact O-N 3.39Å
371	A	63.1	Low	58.9	Low	74 Å²	74	74.6 Å²	74.6	61%	0.612	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.4	-179	0	0	0	0	0	115.4	I369 P449	I369-A371 PolarHBondContact O-N 3.04Å; A371-P449 HydrophobicContact CB-CG 4.49Å
372	V	73.7	Confident	60.5	Low	31 Å²	31	67.9 Å²	67.9	19%	0.188	39%	0.386	C	S	.	.	S	Bend	trans	-94.6	115	-180	-172.5	0	0	0	0	110.8	I369 V370 T374 V483	I369-V372 PolarHBondContact O-N 2.89Å; V370-V372 VanDerWaalsContact C-N 3.34Å; V370-V372 PolarHBondContact O-N 3.39Å; V372-T374 HydrophobicContact CB-CG2 4.5Å; V372-T374 HydrophobicContact CG1-CG2 3.81Å; V372-T374 PolarHBondContact O-N 3.49Å; V372-V483 HydrophobicContact CB-CG1 4.17Å; V372-V483 HydrophobicContact CG1-CG1 3.84Å; V372-V483 HydrophobicContact CG2-CG1 3.99Å
373	K	75.5	Confident	61.8	Low	129 Å²	129	64.8 Å²	64.8	56%	0.561	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	113.3	170.4	-173.7	170.1	-176	169.8	0	110	Y446 Q447	K373-Y446 WeakPolarHBondContact O-CA 3.35Å; K373-Q447 PolarHBondContact O-N 3.34Å
374	T	79.6	Confident	62.7	Low	22 Å²	22	67 Å²	67	14%	0.135	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.1	173.8	63	0	0	0	0	110.5	V372 R445 Y479	V372-T374 HydrophobicContact CB-CG2 4.5Å; V372-T374 HydrophobicContact CG1-CG2 3.81Å; V372-T374 PolarHBondContact O-N 3.49Å; T374-R445 CarbonylContact C-O 3.58Å; T374-R445 WeakPolarHBondContact CA-O 3.45Å; T374-Y479 HydrophobicContact CG2-CE2 4.03Å; T374-Y479 WeakPolarHBondContact CG2-OH 3.28Å
375	Q	78.4	Confident	63.9	Low	67 Å²	67	68 Å²	68	31%	0.313	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	132.9	179.6	-63.2	-172.7	-61	0	0	108.9	R445	Q375-R445 PolarHBondContact N-O 2.85Å; Q375-R445 PolarHBondContact O-N 2.88Å
376	V	78.9	Confident	65.5	Low	12 Å²	12	68.3 Å²	68.3	7%	0.073	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138	171.3	-161.7	0	0	0	0	108.5	V443 I444 M467 I537 D539 I543	V376-V443 WeakPolarHBondContact CA-O 3.48Å; V376-I444 HydrophobicContact CG1-CG1 4.28Å; V376-I444 HydrophobicContact CG2-CG1 4.13Å; V376-M467 HydrophobicContact CG1-SD 3.87Å; V376-I537 HydrophobicContact CG2-CG2 3.47Å; V376-I537 VanDerWaalsContact CG2-CG2 3.47Å; V376-D539 HydrophobicContact CB-CB 4.33Å; V376-D539 HydrophobicContact CG2-CB 4.23Å; V376-I543 HydrophobicContact CB-CD1 3.86Å; V376-I543 HydrophobicContact CG1-CB 4.26Å; V376-I543 HydrophobicContact CG1-CD1 3.79Å; V376-I543 HydrophobicContact CG1-CG2 4.08Å; V376-I543 VanDerWaalsContact O-CD1 3.23Å; V376-I543 WeakPolarHBondContact O-CD1 3.45Å
377	F	73.1	Confident	67.1	Low	27 Å²	27	66.3 Å²	66.3	12%	0.118	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.2	172.2	52.5	-89.8	0	0	0	111	I379 K382 V443 R445 I543	F377-I379 HydrophobicContact CE2-CG1 4.33Å; F377-K382 HydrophobicContact CB-CB 4.48Å; F377-K382 HydrophobicContact CB-CD 4.47Å; F377-K382 HydrophobicContact CD1-CD 3.82Å; F377-K382 HydrophobicContact CD2-CB 3.86Å; F377-K382 HydrophobicContact CD2-CD 3.5Å; F377-K382 VanDerWaalsContact CD2-CD 3.5Å; F377-K382 HydrophobicContact CD2-CG 4.36Å; F377-K382 HydrophobicContact CE1-CD 3.83Å; F377-K382 HydrophobicContact CE2-CB 4.43Å; F377-K382 HydrophobicContact CE2-CD 3.53Å; F377-K382 HydrophobicContact CG-CB 4.27Å; F377-K382 HydrophobicContact CG-CD 3.66Å; F377-K382 HydrophobicContact CZ-CD 3.7Å; F377-V443 HydrophobicContact CE2-CB 4.13Å; F377-V443 HydrophobicContact CZ-CB 4.27Å; F377-V443 HydrophobicContact CZ-CG1 4.26Å; F377-V443 PolarHBondContact N-O 3.28Å; F377-V443 VanDerWaalsContact N-O 3.08Å; F377-V443 PolarHBondContact O-N 3.26Å; F377-R445 HydrophobicContact CE1-CB 3.57Å; F377-R445 HydrophobicContact CE1-CG 4.41Å; F377-R445 HydrophobicContact CZ-CB 4.2Å; F377-I543 VanDerWaalsContact CA-CD1 3.44Å
378	S	73.3	Confident	69	Low	15 Å²	15	59.1 Å²	59.1	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143	154.7	-168	0	0	0	0	108.7	K380 D381 K382 A441	S378-K380 PolarHBondContact O-N 3.01Å; S378-D381 VanDerWaalsContact CB-OD2 3.23Å; S378-D381 WeakPolarHBondContact CB-OD2 3.08Å; S378-D381 PolarHBondContact O-N 2.73Å; S378-K382 PolarHBondContact O-N 2.92Å; S378-A441 WeakPolarHBondContact CA-O 3.45Å
379	I	68.1	Low	70.8	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.046	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-38.3	176.8	-67.8	-175.5	0	0	0	110.8	F377 D381 K382 E383 L435 M437 A441 V443	F377-I379 HydrophobicContact CE2-CG1 4.33Å; I379-D381 VanDerWaalsContact C-N 3.33Å; I379-D381 PolarHBondContact O-N 2.98Å; I379-K382 PolarHBondContact O-N 3.48Å; I379-E383 HydrophobicContact CG2-CG 3.94Å; I379-E383 WeakPolarHBondContact CG2-OE1 3.3Å; I379-E383 WeakPolarHBondContact O-CB 3.32Å; I379-E383 WeakPolarHBondContact O-CG 3.33Å; I379-E383 PolarHBondContact O-N 3.29Å; I379-L435 HydrophobicContact CG2-CD1 4.3Å; I379-M437 HydrophobicContact CD1-CB 3.26Å; I379-M437 HydrophobicContact CD1-CG 3.44Å; I379-M437 VanDerWaalsContact CD1-CG 3.44Å; I379-M437 HydrophobicContact CD1-SD 4.24Å; I379-A441 HydrophobicContact CD1-CB 3.87Å; I379-A441 HydrophobicContact CG1-CB 4.34Å; I379-A441 PolarHBondContact N-O 2.63Å; I379-V443 HydrophobicContact CD1-CG2 3.98Å; I379-V443 HydrophobicContact CG1-CG2 4.01Å
380	K	65	Low	72.2	Confident	62 Å²	62	54.4 Å²	54.4	27%	0.27	29%	0.287	S	S	.	.	H	α-helix	trans	-44.9	-52.8	171.6	-87.8	163.8	-174.6	-152.7	0	113.7	S378 K384 E439	S378-K380 PolarHBondContact O-N 3.01Å; K380-K384 VanDerWaalsContact O-CG 3.3Å; K380-K384 WeakPolarHBondContact O-CG 3.08Å; K380-K384 PolarHBondContact O-N 3.15Å; K380-K384 VanDerWaalsContact O-N 3.08Å; K380-E439 WeakPolarHBondContact CD-O 3.44Å; K380-E439 VanDerWaalsContact CE-CG 3.48Å; K380-E439 WeakPolarHBondContact CE-O 3.4Å; K380-E439 WeakPolarHBondContact CE-OE1 3.42Å; K380-E439 HydrophobicContact CG-CG 4.28Å; K380-E439 VanDerWaalsContact CG-O 3.27Å; K380-E439 WeakPolarHBondContact CG-O 3.38Å; K380-E439 IonicContact NZ-OE1 2.7Å; K380-E439 PolarHBondContact NZ-OE1 2.95Å
381	D	66.1	Low	73.8	Confident	84 Å²	84	53.2 Å²	53.2	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-71.4	-42.9	-170.2	-51.4	-34.3	0	0	0	109.9	S378 I379 K384 E385	S378-D381 VanDerWaalsContact CB-OD2 3.23Å; S378-D381 WeakPolarHBondContact CB-OD2 3.08Å; S378-D381 PolarHBondContact O-N 2.73Å; I379-D381 VanDerWaalsContact C-N 3.33Å; I379-D381 PolarHBondContact O-N 2.98Å; D381-K384 WeakPolarHBondContact O-CB 3.4Å; D381-K384 PolarHBondContact O-N 2.97Å; D381-E385 WeakPolarHBondContact O-CG 3.48Å; D381-E385 PolarHBondContact O-N 3.43Å
382	K	66.1	Low	75.1	Confident	60 Å²	60	52.8 Å²	52.8	26%	0.261	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-30	179.8	-166	167.3	-171.8	163.7	0	113.8	F377 S378 I379 S386	F377-K382 HydrophobicContact CB-CB 4.48Å; F377-K382 HydrophobicContact CB-CD 4.47Å; F377-K382 HydrophobicContact CD1-CD 3.82Å; F377-K382 HydrophobicContact CD2-CB 3.86Å; F377-K382 HydrophobicContact CD2-CD 3.5Å; F377-K382 VanDerWaalsContact CD2-CD 3.5Å; F377-K382 HydrophobicContact CD2-CG 4.36Å; F377-K382 HydrophobicContact CE1-CD 3.83Å; F377-K382 HydrophobicContact CE2-CB 4.43Å; F377-K382 HydrophobicContact CE2-CD 3.53Å; F377-K382 HydrophobicContact CG-CB 4.27Å; F377-K382 HydrophobicContact CG-CD 3.66Å; F377-K382 HydrophobicContact CZ-CD 3.7Å; S378-K382 PolarHBondContact O-N 2.92Å; I379-K382 PolarHBondContact O-N 3.48Å; K382-S386 PolarHBondContact O-N 3.01Å
383	E	60.5	Low	75.8	Confident	20 Å²	20	51.3 Å²	51.3	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-43.7	169.4	-76.6	-177.1	179.5	0	0	110.5	I379 E385 S386 L387 P433	I379-E383 HydrophobicContact CG2-CG 3.94Å; I379-E383 WeakPolarHBondContact CG2-OE1 3.3Å; I379-E383 WeakPolarHBondContact O-CB 3.32Å; I379-E383 WeakPolarHBondContact O-CG 3.33Å; I379-E383 PolarHBondContact O-N 3.29Å; E383-E385 PolarHBondContact O-N 2.9Å; E383-S386 WeakPolarHBondContact O-CA 2.98Å; E383-S386 WeakPolarHBondContact O-CB 3.43Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-S386 PolarHBondContact O-OG 3.25Å; E383-L387 PolarHBondContact O-N 3.47Å; E383-P433 HydrophobicContact CB-CG 4.44Å; E383-P433 HydrophobicContact CG-CG 3.96Å
384	K	59.9	Low	76.5	Confident	132 Å²	132	47 Å²	47	57%	0.574	24%	0.235	S	C	*	.	H	α-helix	trans	-59.5	-45.1	174.7	-72.8	172.2	179.2	-175	0	112.5	K380 D381 S386 L387	K380-K384 VanDerWaalsContact O-CG 3.3Å; K380-K384 WeakPolarHBondContact O-CG 3.08Å; K380-K384 PolarHBondContact O-N 3.15Å; K380-K384 VanDerWaalsContact O-N 3.08Å; D381-K384 WeakPolarHBondContact O-CB 3.4Å; D381-K384 PolarHBondContact O-N 2.97Å; K384-S386 PolarHBondContact O-N 3.08Å; K384-S386 VanDerWaalsContact O-N 3.15Å; K384-L387 PolarHBondContact O-N 2.85Å
385	E	61	Low	77	Confident	149 Å²	149	51.3 Å²	51.3	70%	0.696	25%	0.254	S	S	*	.	H	α-helix	trans	-57.6	-24.5	172.3	-72.9	179.6	169.6	0	0	113.6	D381 E383	D381-E385 WeakPolarHBondContact O-CG 3.48Å; D381-E385 PolarHBondContact O-N 3.43Å; E383-E385 PolarHBondContact O-N 2.9Å
386	S	73.6	Confident	77.6	Confident	34 Å²	34	48.9 Å²	48.9	24%	0.238	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7	-178.4	84.4	0	0	0	0	114.4	P116 V117 K382 E383 K384	P116-S386 CarbonylContact C-O 3.56Å; P116-S386 WeakPolarHBondContact CA-O 3.42Å; V117-S386 VanDerWaalsContact CG2-O 3.32Å; V117-S386 WeakPolarHBondContact CG2-O 3.29Å; V117-S386 PolarHBondContact N-O 3.18Å; K382-S386 PolarHBondContact O-N 3.01Å; E383-S386 WeakPolarHBondContact O-CA 2.98Å; E383-S386 WeakPolarHBondContact O-CB 3.43Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-S386 PolarHBondContact O-OG 3.25Å; K384-S386 PolarHBondContact O-N 3.08Å; K384-S386 VanDerWaalsContact O-N 3.15Å
387	L	82	Confident	78.1	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.2	-178.4	-69	-179.7	0	0	0	111.8	R114 P116 E383 K384 Q431	R114-L387 HydrophobicContact CB-CB 3.83Å; R114-L387 HydrophobicContact CB-CD1 4.39Å; R114-L387 HydrophobicContact CB-CD2 4.42Å; R114-L387 HydrophobicContact CB-CG 4.44Å; P116-L387 HydrophobicContact CB-CD2 4.2Å; E383-L387 PolarHBondContact O-N 3.47Å; K384-L387 PolarHBondContact O-N 2.85Å; L387-Q431 HydrophobicContact CD1-CB 4.3Å
388	L	86.7	Confident	78.8	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.6	177.9	-61.6	164	0	0	0	111.2	R114 I115 V117 I120 L123 D392 I393	R114-L388 VanDerWaalsContact CA-O 3.29Å; R114-L388 WeakPolarHBondContact CA-O 3.3Å; R114-L388 VanDerWaalsContact CB-O 3.28Å; R114-L388 WeakPolarHBondContact CB-O 3.38Å; I115-L388 PolarHBondContact N-O 2.67Å; I115-L388 VanDerWaalsContact O-CB 3.28Å; I115-L388 WeakPolarHBondContact O-CB 3.29Å; I115-L388 PolarHBondContact O-N 3.39Å; V117-L388 HydrophobicContact CG2-CD1 4.03Å; V117-L388 HydrophobicContact CG2-CD2 3.71Å; V117-L388 HydrophobicContact CG2-CG 3.7Å; I120-L388 HydrophobicContact CD1-CD1 3.9Å; L123-L388 HydrophobicContact CD2-CD1 3.51Å; L123-L388 HydrophobicContact CD2-CD2 3.99Å; L123-L388 HydrophobicContact CD2-CG 4.42Å; L388-D392 HydrophobicContact CB-CB 4.2Å; L388-D392 HydrophobicContact CD2-CB 3.82Å; L388-I393 HydrophobicContact CB-CD1 4.02Å; L388-I393 HydrophobicContact CB-CG1 3.79Å; L388-I393 HydrophobicContact CD1-CG1 4.08Å
389	T	87.6	Confident	79.4	Confident	39 Å²	39	54.7 Å²	54.7	24%	0.239	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-67.3	159.9	165.1	67.5	0	0	0	0	110.6	D391 D392 I393	T389-D391 PolarHBondContact O-N 3.2Å; T389-D391 PolarHBondContact OG1-N 2.93Å; T389-D392 VanDerWaalsContact CB-OD2 3.31Å; T389-D392 WeakPolarHBondContact CB-OD2 3.42Å; T389-D392 WeakPolarHBondContact CG2-OD2 3.27Å; T389-D392 PolarHBondContact N-OD2 3.13Å; T389-D392 PolarHBondContact O-N 2.72Å; T389-D392 PolarHBondContact OG1-N 2.99Å; T389-D392 PolarHBondContact OG1-OD2 3.44Å; T389-I393 WeakPolarHBondContact O-CG1 3.24Å; T389-I393 PolarHBondContact O-N 2.79Å
390	P	88.7	Confident	80.3	Confident	28 Å²	28	58.5 Å²	58.5	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-29	171.2	-27.1	36.9	0	0	0	113.6	I83 R394	I83-P390 HydrophobicContact CG2-CB 3.95Å; I83-P390 HydrophobicContact CG2-CG 3.62Å; P390-R394 WeakPolarHBondContact O-CG 3.38Å; P390-R394 PolarHBondContact O-N 3.5Å
391	D	89	Confident	81.3	Confident	95 Å²	95	59.5 Å²	59.5	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-78.3	-39.2	179.2	-69.6	-68.4	0	0	0	113.3	T389 I393 R394 E395	T389-D391 PolarHBondContact O-N 3.2Å; T389-D391 PolarHBondContact OG1-N 2.93Å; D391-I393 PolarHBondContact O-N 3.05Å; D391-R394 PolarHBondContact O-N 3.05Å; D391-R394 VanDerWaalsContact O-N 3.14Å; D391-R394 IonicContact OD1-CZ 3.71Å; D391-R394 IonicContact OD1-NE 2.7Å; D391-R394 PolarHBondContact OD1-NE 3.44Å; D391-R394 IonicContact OD1-NH2 2.97Å; D391-R394 PolarHBondContact OD1-NH2 3.19Å; D391-R394 IonicContact OD2-CZ 3.42Å; D391-R394 IonicContact OD2-NH2 3.51Å; D391-R394 PolarHBondContact OD2-NH2 2.82Å; D391-E395 WeakPolarHBondContact O-CB 3.39Å; D391-E395 PolarHBondContact O-N 2.86Å
392	D	89.4	Confident	82.1	Confident	64 Å²	64	60.7 Å²	60.7	34%	0.342	30%	0.302	S	S	.	.	H	α-helix	trans	-54.9	-37.4	170.2	-63.1	-65.3	0	0	0	111.1	L388 T389 Y396	L388-D392 HydrophobicContact CB-CB 4.2Å; L388-D392 HydrophobicContact CD2-CB 3.82Å; T389-D392 VanDerWaalsContact CB-OD2 3.31Å; T389-D392 WeakPolarHBondContact CB-OD2 3.42Å; T389-D392 WeakPolarHBondContact CG2-OD2 3.27Å; T389-D392 PolarHBondContact N-OD2 3.13Å; T389-D392 PolarHBondContact O-N 2.72Å; T389-D392 PolarHBondContact OG1-N 2.99Å; T389-D392 PolarHBondContact OG1-OD2 3.44Å; D392-Y396 VanDerWaalsContact O-CB 3.32Å; D392-Y396 WeakPolarHBondContact O-CB 3.23Å; D392-Y396 PolarHBondContact O-N 2.7Å
393	I	89.6	Confident	83	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-74.7	-42.4	179.9	-59.1	167	0	0	0	110.4	L86 I115 I120 L388 T389 D391 E395 Y396 C397	L86-I393 HydrophobicContact CD1-CG2 3.61Å; L86-I393 HydrophobicContact CG-CG2 4.05Å; I115-I393 HydrophobicContact CB-CD1 3.81Å; I115-I393 HydrophobicContact CD1-CD1 3.73Å; I115-I393 HydrophobicContact CG1-CD1 4.15Å; I120-I393 HydrophobicContact CD1-CG1 4.42Å; L388-I393 HydrophobicContact CB-CD1 4.02Å; L388-I393 HydrophobicContact CB-CG1 3.79Å; L388-I393 HydrophobicContact CD1-CG1 4.08Å; T389-I393 WeakPolarHBondContact O-CG1 3.24Å; T389-I393 PolarHBondContact O-N 2.79Å; D391-I393 PolarHBondContact O-N 3.05Å; I393-E395 VanDerWaalsContact C-N 3.35Å; I393-E395 PolarHBondContact O-N 2.81Å; I393-Y396 PolarHBondContact O-N 3.11Å; I393-C397 VanDerWaalsContact O-CB 3.3Å; I393-C397 WeakPolarHBondContact O-CB 3.17Å; I393-C397 PolarHBondContact O-N 2.84Å; I393-C397 PolarHBondContact O-SG 3.03Å; I393-C397 VanDerWaalsContact O-SG 3.42Å
394	R	89.8	Confident	84	Confident	38 Å²	38	65.4 Å²	65.4	14%	0.143	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-43.9	172.6	-76.9	-176.4	-80.7	-101	10	111.7	F59 I83 P390 D391 G398	F59-R394 VanDerWaalsContact CD2-NH1 3.3Å; I83-R394 PolarHBondContact O-NH1 3Å; P390-R394 WeakPolarHBondContact O-CG 3.38Å; P390-R394 PolarHBondContact O-N 3.5Å; D391-R394 PolarHBondContact O-N 3.05Å; D391-R394 VanDerWaalsContact O-N 3.14Å; D391-R394 IonicContact OD1-CZ 3.71Å; D391-R394 IonicContact OD1-NE 2.7Å; D391-R394 PolarHBondContact OD1-NE 3.44Å; D391-R394 IonicContact OD1-NH2 2.97Å; D391-R394 PolarHBondContact OD1-NH2 3.19Å; D391-R394 IonicContact OD2-CZ 3.42Å; D391-R394 IonicContact OD2-NH2 3.51Å; D391-R394 PolarHBondContact OD2-NH2 2.82Å; R394-G398 PolarHBondContact O-N 3.48Å
395	E	90.4	Very high	85	Confident	114 Å²	114	62.8 Å²	62.8	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-69.1	-33.1	177.9	-165.3	-130	105.4	0	0	112.3	D391 I393 R399	D391-E395 WeakPolarHBondContact O-CB 3.39Å; D391-E395 PolarHBondContact O-N 2.86Å; I393-E395 VanDerWaalsContact C-N 3.35Å; I393-E395 PolarHBondContact O-N 2.81Å; E395-R399 PolarHBondContact O-NE 3.27Å; E395-R399 PolarHBondContact O-NH2 3.38Å; E395-R399 IonicContact OE1-CZ 2.73Å; E395-R399 IonicContact OE1-NE 2.86Å; E395-R399 IonicContact OE1-NH1 2.74Å; E395-R399 PolarHBondContact OE1-NH1 3.25Å; E395-R399 IonicContact OE1-NH2 2.85Å; E395-R399 PolarHBondContact OE1-NH2 2.86Å
396	Y	90.1	Very high	85.9	Confident	15 Å²	15	59.5 Å²	59.5	6%	0.059	30%	0.3	C	S	.	.	H	α-helix	trans	-69.7	-51.5	171.7	-178.2	-110.9	0	0	0	112.7	I120 C122 L123 D392 I393 R399 L400	I120-Y396 HydrophobicContact CG2-CD1 4.25Å; I120-Y396 HydrophobicContact CG2-CE1 3.79Å; C122-Y396 VanDerWaalsContact CB-OH 3.29Å; C122-Y396 WeakPolarHBondContact CB-OH 2.86Å; C122-Y396 PolarHBondContact SG-OH 3.14Å; L123-Y396 HydrophobicContact CB-CD1 4.21Å; L123-Y396 HydrophobicContact CB-CD2 4.28Å; L123-Y396 HydrophobicContact CB-CE1 3.93Å; L123-Y396 HydrophobicContact CB-CE2 4Å; L123-Y396 HydrophobicContact CB-CG 4.38Å; L123-Y396 HydrophobicContact CD1-CD2 3.73Å; L123-Y396 HydrophobicContact CD1-CE2 4.01Å; L123-Y396 HydrophobicContact CD1-CG 4.19Å; L123-Y396 HydrophobicContact CD2-CD1 4.06Å; L123-Y396 HydrophobicContact CD2-CD2 4.28Å; L123-Y396 HydrophobicContact CD2-CG 3.88Å; L123-Y396 HydrophobicContact CG-CD2 4.31Å; L123-Y396 HydrophobicContact CG-CE2 4.47Å; L123-Y396 HydrophobicContact CG-CG 4.39Å; D392-Y396 VanDerWaalsContact O-CB 3.32Å; D392-Y396 WeakPolarHBondContact O-CB 3.23Å; D392-Y396 PolarHBondContact O-N 2.7Å; I393-Y396 PolarHBondContact O-N 3.11Å; Y396-R399 PolarHBondContact O-N 3.39Å; Y396-L400 HydrophobicContact CD1-CD1 4.36Å; Y396-L400 HydrophobicContact CE1-CD1 3.72Å; Y396-L400 HydrophobicContact CE2-CD1 4.14Å
397	C	89.4	Confident	85.9	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.034	31%	0.308	C	S	.	.	H	α-helix	trans	-71.8	-32.9	-176.2	-69.6	0	0	0	0	112.8	I61 I393 R399 L400 F401 I403	I61-C397 HydrophobicContact CD1-CB 3.61Å; I61-C397 HydrophobicContact CG1-CB 4.19Å; I61-C397 HydrophobicContact CG2-CB 4.26Å; I393-C397 VanDerWaalsContact O-CB 3.3Å; I393-C397 WeakPolarHBondContact O-CB 3.17Å; I393-C397 PolarHBondContact O-N 2.84Å; I393-C397 PolarHBondContact O-SG 3.03Å; I393-C397 VanDerWaalsContact O-SG 3.42Å; C397-R399 PolarHBondContact O-N 2.67Å; C397-R399 VanDerWaalsContact O-N 3.12Å; C397-L400 CarbonylContact O-C 3.56Å; C397-L400 WeakPolarHBondContact O-CA 2.97Å; C397-L400 PolarHBondContact O-N 3.41Å; C397-F401 HydrophobicContact CB-CD2 4.2Å; C397-F401 PolarHBondContact O-N 3.4Å; C397-I403 HydrophobicContact CB-CD1 4.39Å
398	G	87.6	Confident	85	Confident	46 Å²	46	61.3 Å²	61.3	47%	0.474	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.3	176.8	0	0	0	0	0	114.5	R394	R394-G398 PolarHBondContact O-N 3.48Å
399	R	86.4	Confident	83.6	Confident	126 Å²	126	65.2 Å²	65.2	48%	0.475	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.1	169.1	-70.5	176.7	-71.8	-179.3	-10.1	113.4	E395 Y396 C397	E395-R399 PolarHBondContact O-NE 3.27Å; E395-R399 PolarHBondContact O-NH2 3.38Å; E395-R399 IonicContact OE1-CZ 2.73Å; E395-R399 IonicContact OE1-NE 2.86Å; E395-R399 IonicContact OE1-NH1 2.74Å; E395-R399 PolarHBondContact OE1-NH1 3.25Å; E395-R399 IonicContact OE1-NH2 2.85Å; E395-R399 PolarHBondContact OE1-NH2 2.86Å; Y396-R399 PolarHBondContact O-N 3.39Å; C397-R399 PolarHBondContact O-N 2.67Å; C397-R399 VanDerWaalsContact O-N 3.12Å
400	L	86.6	Confident	82.1	Confident	89 Å²	89	68.8 Å²	68.8	47%	0.466	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-28.1	-172.8	-64.1	175.8	0	0	0	113.7	Y396 C397	Y396-L400 HydrophobicContact CD1-CD1 4.36Å; Y396-L400 HydrophobicContact CE1-CD1 3.72Å; Y396-L400 HydrophobicContact CE2-CD1 4.14Å; C397-L400 CarbonylContact O-C 3.56Å; C397-L400 WeakPolarHBondContact O-CA 2.97Å; C397-L400 PolarHBondContact O-N 3.41Å
401	F	86.8	Confident	80.2	Confident	82 Å²	82	75.7 Å²	75.7	36%	0.36	37%	0.371	S	S	.	.	S	Bend	trans	-140.2	156.4	-171.2	-55.3	-75.8	0	0	0	111.6	I61 D63 C397 I403	I61-F401 HydrophobicContact CG2-CB 3.79Å; I61-F401 HydrophobicContact CG2-CD2 3.97Å; I61-F401 HydrophobicContact CG2-CG 3.99Å; D63-F401 HydrophobicContact CB-CD1 4.45Å; D63-F401 HydrophobicContact CB-CE1 4.29Å; C397-F401 HydrophobicContact CB-CD2 4.2Å; C397-F401 PolarHBondContact O-N 3.4Å; F401-I403 PolarHBondContact O-N 3.34Å
402	E	83.7	Confident	78.2	Confident	109 Å²	109	79.7 Å²	79.7	51%	0.509	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128	166.2	-173.4	-163.6	174.8	0	0	109.1	N62 R404	N62-E402 HydrophobicContact CB-CB 4.27Å; N62-E402 PolarHBondContact N-O 3.29Å; N62-E402 VanDerWaalsContact ND2-CD 3.28Å; N62-E402 PolarHBondContact ND2-OE2 2.9Å; E402-R404 HydrophobicContact CG-CG 4.48Å; E402-R404 IonicContact OE1-CZ 2.69Å; E402-R404 IonicContact OE1-NE 3.49Å; E402-R404 PolarHBondContact OE1-NE 2.85Å; E402-R404 IonicContact OE1-NH2 2.96Å; E402-R404 IonicContact OE2-CZ 3.38Å; E402-R404 IonicContact OE2-NE 2.76Å; E402-R404 PolarHBondContact OE2-NE 3.13Å; E402-R404 IonicContact OE2-NH2 3.66Å; E402-R404 PolarHBondContact OE2-NH2 2.96Å
403	I	83.3	Confident	75.9	Confident	48 Å²	48	83.1 Å²	83.1	25%	0.246	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.6	171.3	-55.2	-170.2	0	0	0	109	F59 V60 I61 C397 F401	F59-I403 HydrophobicContact CB-CG2 4.46Å; F59-I403 HydrophobicContact CD1-CG2 4.13Å; V60-I403 CarbonylContact O-C 3.57Å; V60-I403 WeakPolarHBondContact O-CA 3.2Å; I61-I403 HydrophobicContact CG1-CD1 4.1Å; I61-I403 HydrophobicContact CG1-CG1 4.06Å; C397-I403 HydrophobicContact CB-CD1 4.39Å; F401-I403 PolarHBondContact O-N 3.34Å
404	R	81.6	Confident	73.6	Confident	131 Å²	131	92.8 Å²	92.8	49%	0.494	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	145.8	170.5	-63.9	-177.7	-179.1	155.1	12	109.9	V60 N62 E402	V60-R404 HydrophobicContact CB-CB 4.33Å; V60-R404 PolarHBondContact N-O 3.3Å; V60-R404 PolarHBondContact O-N 3.08Å; N62-R404 WeakPolarHBondContact ND2-CD 3.2Å; N62-R404 PolarHBondContact ND2-NE 2.86Å; N62-R404 PolarHBondContact ND2-NH2 3.43Å; E402-R404 HydrophobicContact CG-CG 4.48Å; E402-R404 IonicContact OE1-CZ 2.69Å; E402-R404 IonicContact OE1-NE 3.49Å; E402-R404 PolarHBondContact OE1-NE 2.85Å; E402-R404 IonicContact OE1-NH2 2.96Å; E402-R404 IonicContact OE2-CZ 3.38Å; E402-R404 IonicContact OE2-NE 2.76Å; E402-R404 PolarHBondContact OE2-NE 3.13Å; E402-R404 IonicContact OE2-NH2 3.66Å; E402-R404 PolarHBondContact OE2-NH2 2.96Å
405	V	82.7	Confident	70.9	Confident	77 Å²	77	98.9 Å²	98.9	47%	0.467	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.9	177.7	-174.8	0	0	0	0	108.7	R57 R58 F59	R57-V405 HydrophobicContact CB-CG1 4.06Å; R57-V405 HydrophobicContact CG-CG1 4.05Å; R58-V405 CarbonylContact O-C 3.54Å; R58-V405 WeakPolarHBondContact O-CA 3.46Å; F59-V405 HydrophobicContact CD1-CG2 3.88Å; F59-V405 HydrophobicContact CE1-CG1 4.46Å; F59-V405 HydrophobicContact CE1-CG2 3.91Å
406	E	78.8	Confident	68.5	Low	81 Å²	81	102.2 Å²	102.2	38%	0.379	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.7	-180	-62.2	173.4	169.4	0	0	109.7	R58 V60 T408	R58-E406 HydrophobicContact CB-CB 4.27Å; R58-E406 PolarHBondContact N-O 3.22Å; R58-E406 PolarHBondContact O-N 3.06Å; V60-E406 HydrophobicContact CG2-CG 4.09Å; E406-T408 HydrophobicContact CB-CG2 4.26Å; E406-T408 PolarHBondContact O-N 3.41Å; E406-T408 VanDerWaalsContact O-N 3.08Å
407	D	73.1	Confident	65.8	Low	74 Å²	74	111.1 Å²	111.1	40%	0.396	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	87.2	177.1	-127.6	37.9	0	0	0	109.1	K55 R57	K55-D407 WeakPolarHBondContact CD-OD2 3.47Å; K55-D407 WeakPolarHBondContact CE-OD2 3.42Å; K55-D407 IonicContact NZ-OD2 3.93Å; K55-D407 PolarHBondContact NZ-OD2 3.45Å; R57-D407 WeakPolarHBondContact CG-OD1 3.44Å; R57-D407 IonicContact NE-OD1 3.47Å
408	T	63.6	Low	63	Low	24 Å²	24	115.4 Å²	115.4	15%	0.147	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.3	-174.6	62.9	0	0	0	0	113	E56 R58 E406	E56-T408 PolarHBondContact N-O 3.26Å; E56-T408 PolarHBondContact O-N 2.95Å; E56-T408 PolarHBondContact O-OG1 3.17Å; R58-T408 HydrophobicContact CG-CG2 3.96Å; R58-T408 PolarHBondContact NE-OG1 2.99Å; E406-T408 HydrophobicContact CB-CG2 4.26Å; E406-T408 PolarHBondContact O-N 3.41Å; E406-T408 VanDerWaalsContact O-N 3.08Å
409	V	57.1	Low	60.6	Low	84 Å²	84	119.2 Å²	119.2	51%	0.509	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	92.6	-172.3	-179.7	0	0	0	0	109.9	V53 K411	V53-V409 HydrophobicContact CG1-CG1 3.62Å; V409-K411 PolarHBondContact O-N 3.28Å
410	F	55.3	Low	58	Low	114 Å²	114	118.6 Å²	118.6	50%	0.5	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	114.4	176.3	-81.4	-76	0	0	0	112.1	R412	F410-R412 PolarHBondContact O-N 3.32Å
411	K	50.7	Low	55.4	Low	173 Å²	173	121.3 Å²	121.3	75%	0.752	59%	0.592	S	S	*	*			trans	-82.7	105.1	163.7	-69.5	178.8	-178.8	173.5	0	109	V409 N413	V409-K411 PolarHBondContact O-N 3.28Å; K411-N413 PolarHBondContact O-N 3.31Å
412	R	45.1	Very low	53.1	Low	179 Å²	179	125.3 Å²	125.3	68%	0.675	62%	0.616	S	S	*	*			trans	-60.3	118.9	170.2	-87.2	-174.1	-79.2	163.8	-6.8	110.2	F410	F410-R412 PolarHBondContact O-N 3.32Å
413	N	41.3	Very low	50.7	Low	137 Å²	137	124.8 Å²	124.8	73%	0.733	62%	0.62	S	S	*	*			trans	-103.8	134.9	168.8	-80	-21.2	0	0	0	109.4	K411	K411-N413 PolarHBondContact O-N 3.31Å
414	R	42.1	Very low	48.5	Very low	202 Å²	202	128.5 Å²	128.5	76%	0.762	65%	0.645	S	S	*	*	S	Bend	trans	20.4	117.1	171.6	-75.2	-177.5	169.4	140.6	-2.6	119.6	H416	R414-H416 PolarHBondContact O-N 3.39Å
415	E	33.7	Very low	46.5	Very low	166 Å²	166	131.9 Å²	131.9	78%	0.776	66%	0.664	S	S	*	*				38.3	70.6	123.7	-68.3	126.9	-147.5	0	0	117.8
416	H	38.7	Very low	44.4	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.856	68%	0.675	S	S	*	*			trans	-112.1	119.9	140.1	-76.2	-71.7	0	0	0	108.3	R414 C418	R414-H416 PolarHBondContact O-N 3.39Å; H416-C418 PolarHBondContact O-N 2.78Å; H416-C418 VanDerWaalsContact O-N 3.12Å
417	H	33.6	Very low	42.7	Very low	201 Å²	201	134.9 Å²	134.9	93%	0.931	68%	0.681	S	S	*	*			trans	-71.9	101.7	169.5	-80.3	-60.7	0	0	0	109.1
418	C	32.1	Very low	41.3	Very low	95 Å²	95	137 Å²	137	64%	0.642	69%	0.688	S	S	*	*			trans	-115.7	126.5	159.8	-174.4	0	0	0	0	107	H416 T420	H416-C418 PolarHBondContact O-N 2.78Å; H416-C418 VanDerWaalsContact O-N 3.12Å; C418-T420 PolarHBondContact O-N 3.09Å
419	P	36.1	Very low	40.3	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	70%	0.702	S	S	*	*			trans	-70.6	90.9	-178.9	28.9	-34	0	0	0	110.3
420	T	32.3	Very low	39.8	Very low	114 Å²	114	138.7 Å²	138.7	70%	0.699	70%	0.696	S	S	*	*			trans	-105.6	79.4	176.6	-50.5	0	0	0	0	110	C418	C418-T420 PolarHBondContact O-N 3.09Å
421	D	31.3	Very low	39.3	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	68%	0.678	S	S	*	*	S	Bend	trans	-157.3	160.5	155.6	-92.7	-44	0	0	0	107.4
422	L	38.4	Very low	39.1	Very low	167 Å²	167	129.5 Å²	129.5	87%	0.874	66%	0.656	S	S	*	*	S	Bend	trans	81.6	8.7	-179.7	-53.2	173.5	0	0	0	120
423	T	34.1	Very low	39.1	Very low	97 Å²	97	122.3 Å²	122.3	60%	0.595	63%	0.632	S	S	*	*			trans	-123.8	21.3	176.9	50	0	0	0	0	116.5	K425	T423-K425 VanDerWaalsContact C-N 3.35Å; T423-K425 PolarHBondContact O-N 3.41Å
424	T	36.6	Very low	39.2	Very low	126 Å²	126	121.5 Å²	121.5	77%	0.773	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	7.7	179.5	-24.8	0	0	0	0	114.9
425	K	40.4	Very low	39.5	Very low	203 Å²	203	116.4 Å²	116.4	88%	0.883	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	-7	178.3	-75.1	-172.4	174.9	-178.7	0	115.2	T423	T423-K425 VanDerWaalsContact C-N 3.35Å; T423-K425 PolarHBondContact O-N 3.41Å
426	E	38.2	Very low	40.4	Very low	148 Å²	148	111.1 Å²	111.1	69%	0.692	59%	0.591	S	S	*	*	S	Bend	trans	-107.5	-9.3	-172.5	-59.2	-175.8	148.8	0	0	113.5	E428	E426-E428 VanDerWaalsContact C-N 3.31Å; E426-E428 PolarHBondContact O-N 2.76Å
427	S	42.4	Very low	41.5	Very low	72 Å²	72	103.4 Å²	103.4	50%	0.503	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-1.7	-173	54.9	0	0	0	0	115.7
428	E	43.3	Very low	42.9	Very low	119 Å²	119	94.1 Å²	94.1	56%	0.556	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-24.8	179.3	-64.7	-126.6	99	0	0	113.8	R114 E426 T430	R114-E428 IonicContact CZ-OE1 3.11Å; R114-E428 IonicContact NE-OE1 3.86Å; R114-E428 PolarHBondContact NE-OE1 2.62Å; R114-E428 IonicContact NH2-OE1 2.7Å; R114-E428 PolarHBondContact NH2-OE1 2.78Å; R114-E428 IonicContact NH2-OE2 2.71Å; R114-E428 PolarHBondContact NH2-OE2 2.9Å; E426-E428 VanDerWaalsContact C-N 3.31Å; E426-E428 PolarHBondContact O-N 2.76Å; E428-T430 PolarHBondContact O-N 2.55Å
429	D	44	Very low	44.3	Very low	80 Å²	80	90.9 Å²	90.9	43%	0.428	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.8	-164.6	-156.2	60.5	0	0	0	115.7	K432 R559	D429-K432 PolarHBondContact O-NZ 2.8Å; D429-K432 VanDerWaalsContact O-NZ 3.13Å; D429-R559 IonicContact OD2-CZ 2.61Å; D429-R559 IonicContact OD2-NH1 2.94Å; D429-R559 PolarHBondContact OD2-NH1 3.08Å; D429-R559 IonicContact OD2-NH2 3.25Å; D429-R559 PolarHBondContact OD2-NH2 2.84Å
430	T	45.9	Very low	45.6	Very low	64 Å²	64	89.1 Å²	89.1	39%	0.393	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	9.9	-172	41.9	0	0	0	0	115.6	P107 E428	P107-T430 HydrophobicContact CG-CG2 4.39Å; E428-T430 PolarHBondContact O-N 2.55Å
431	Q	45.1	Very low	47.5	Very low	28 Å²	28	83.7 Å²	83.7	13%	0.131	44%	0.436	C	S	.	.			trans	-103	99.9	-175.2	-56	178.8	25.8	0	0	111.1	R114 L387	R114-Q431 VanDerWaalsContact CB-OE1 3.26Å; L387-Q431 HydrophobicContact CD1-CB 4.3Å
432	K	46.9	Very low	49.8	Very low	66 Å²	66	79 Å²	79	29%	0.287	41%	0.409	S	S	.	.			trans	-133.8	123.5	-177.7	-58.5	-156.7	175.8	83	0	114.2	D429 E439	D429-K432 PolarHBondContact O-NZ 2.8Å; D429-K432 VanDerWaalsContact O-NZ 3.13Å; K432-E439 HydrophobicContact CD-CG 3.85Å; K432-E439 WeakPolarHBondContact CE-OE2 3.3Å; K432-E439 IonicContact NZ-OE1 2.76Å; K432-E439 IonicContact NZ-OE2 2.83Å; K432-E439 PolarHBondContact NZ-OE2 2.73Å
433	P	44	Very low	51.9	Low	27 Å²	27	71.1 Å²	71.1	18%	0.175	37%	0.368	C	S	.	.			trans	-75.5	147.9	169.3	33.2	-33.8	0	0	0	110.7	E383 L435	E383-P433 HydrophobicContact CB-CG 4.44Å; E383-P433 HydrophobicContact CG-CG 3.96Å; P433-L435 PolarHBondContact O-N 3.4Å
434	L	43.9	Very low	54.3	Low	120 Å²	120	66.5 Å²	66.5	63%	0.628	34%	0.339	S	S	*	.			trans	-83.6	75.2	-169.5	-158.4	87.2	0	0	0	113.9	M436 L563	L434-M436 HydrophobicContact CD1-CE 4.39Å; L434-M436 HydrophobicContact CD2-CE 4.41Å; L434-M436 HydrophobicContact CD2-CG 4.05Å; L434-M436 HydrophobicContact CD2-SD 4.17Å; L434-M436 HydrophobicContact CG-CE 4.44Å; L434-M436 HydrophobicContact CG-CG 4.29Å; L434-L563 HydrophobicContact CD1-CD2 4.13Å
435	L	48.6	Very low	56.5	Low	95 Å²	95	63.2 Å²	63.2	50%	0.497	31%	0.313	S	S	.	.			trans	-76.2	113.4	153.1	-82.8	170.7	0	0	0	108.6	I379 P433 M437	I379-L435 HydrophobicContact CG2-CD1 4.3Å; P433-L435 PolarHBondContact O-N 3.4Å; L435-M437 VanDerWaalsContact C-N 3.28Å; L435-M437 PolarHBondContact O-N 3.33Å
436	M	53.6	Low	58.6	Low	56 Å²	56	54.4 Å²	54.4	28%	0.276	27%	0.274	S	S	.	.	S	Bend	trans	-71.6	84.2	177	-68.7	-105.1	71	0	0	110.7	L434 L563 L577 R580	L434-M436 HydrophobicContact CD1-CE 4.39Å; L434-M436 HydrophobicContact CD2-CE 4.41Å; L434-M436 HydrophobicContact CD2-CG 4.05Å; L434-M436 HydrophobicContact CD2-SD 4.17Å; L434-M436 HydrophobicContact CG-CE 4.44Å; L434-M436 HydrophobicContact CG-CG 4.29Å; M436-L563 HydrophobicContact CE-CD1 4.41Å; M436-L563 HydrophobicContact CE-CD2 4.27Å; M436-L577 HydrophobicContact SD-CD2 3.97Å; M436-R580 PolarHBondContact O-NE 3.28Å; M436-R580 PolarHBondContact O-NH2 2.89Å; M436-R580 VanDerWaalsContact O-NH2 3.07Å
437	M	61.2	Low	60.5	Low	22 Å²	22	50 Å²	50	11%	0.108	25%	0.254	C	S	.	.	S	Bend	trans	-155.9	163.4	178.8	-67.4	-91.2	83.8	0	0	107.1	I379 L435 A441 N466 R580 M581	I379-M437 HydrophobicContact CD1-CB 3.26Å; I379-M437 HydrophobicContact CD1-CG 3.44Å; I379-M437 VanDerWaalsContact CD1-CG 3.44Å; I379-M437 HydrophobicContact CD1-SD 4.24Å; L435-M437 VanDerWaalsContact C-N 3.28Å; L435-M437 PolarHBondContact O-N 3.33Å; M437-A441 HydrophobicContact CB-CB 4.24Å; M437-N466 HydrophobicContact SD-CB 4.27Å; M437-R580 HydrophobicContact CE-CB 3.54Å; M437-R580 HydrophobicContact CE-CG 3.93Å; M437-R580 WeakPolarHBondContact CE-O 3.18Å; M437-M581 VanDerWaalsContact CA-SD 3.56Å
438	S	63.1	Low	62.2	Low	7 Å²	7	47.4 Å²	47.4	5%	0.049	23%	0.234	C	C	.	.			trans	-63.1	145.7	172.4	165.5	0	0	0	0	111.1	Q440 A441 D560 M581	S438-Q440 PolarHBondContact O-N 2.92Å; S438-Q440 VanDerWaalsContact O-N 3.14Å; S438-Q440 PolarHBondContact OG-N 3.45Å; S438-Q440 VanDerWaalsContact OG-N 3.11Å; S438-A441 WeakPolarHBondContact O-CB 3.42Å; S438-A441 PolarHBondContact O-N 3.25Å; S438-D560 WeakPolarHBondContact CA-OD1 3.23Å; S438-D560 WeakPolarHBondContact CB-OD1 3.43Å; S438-D560 VanDerWaalsContact OG-CG 3.23Å; S438-D560 PolarHBondContact OG-OD1 2.96Å; S438-D560 PolarHBondContact OG-OD2 3.11Å; S438-M581 PolarHBondContact N-SD 2.98Å; S438-M581 VanDerWaalsContact N-SD 3.45Å
439	E	60.9	Low	63.4	Low	26 Å²	26	44.9 Å²	44.9	12%	0.121	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.2	173.2	-158.1	-165.7	97.5	0	0	111.1	K380 K432 R559 D560	K380-E439 WeakPolarHBondContact CD-O 3.44Å; K380-E439 VanDerWaalsContact CE-CG 3.48Å; K380-E439 WeakPolarHBondContact CE-O 3.4Å; K380-E439 WeakPolarHBondContact CE-OE1 3.42Å; K380-E439 HydrophobicContact CG-CG 4.28Å; K380-E439 VanDerWaalsContact CG-O 3.27Å; K380-E439 WeakPolarHBondContact CG-O 3.38Å; K380-E439 IonicContact NZ-OE1 2.7Å; K380-E439 PolarHBondContact NZ-OE1 2.95Å; K432-E439 HydrophobicContact CD-CG 3.85Å; K432-E439 WeakPolarHBondContact CE-OE2 3.3Å; K432-E439 IonicContact NZ-OE1 2.76Å; K432-E439 IonicContact NZ-OE2 2.83Å; K432-E439 PolarHBondContact NZ-OE2 2.73Å; E439-R559 IonicContact OE1-NH1 3.79Å; E439-R559 PolarHBondContact OE1-NH1 2.98Å; E439-R559 VanDerWaalsContact OE1-NH1 3.13Å; E439-R559 WeakPolarHBondContact OE2-CD 3.17Å; E439-R559 IonicContact OE2-CZ 2.82Å; E439-R559 IonicContact OE2-NE 3.02Å; E439-R559 IonicContact OE2-NH1 3.77Å; E439-R559 PolarHBondContact OE2-NH1 3.16Å; E439-D560 PolarHBondContact N-OD1 3.14Å
440	Q	63.9	Low	64.2	Low	89 Å²	89	43.8 Å²	43.8	42%	0.416	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.5	-178.9	-48.7	-166.3	15.3	0	0	113.1	S438 K442	S438-Q440 PolarHBondContact O-N 2.92Å; S438-Q440 VanDerWaalsContact O-N 3.14Å; S438-Q440 PolarHBondContact OG-N 3.45Å; S438-Q440 VanDerWaalsContact OG-N 3.11Å; Q440-K442 PolarHBondContact O-N 2.82Å
441	A	71.6	Confident	64.9	Low	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.			trans	-65.7	127.9	-170.7	0	0	0	0	0	113	S378 I379 M437 S438 V443 T468	S378-A441 WeakPolarHBondContact CA-O 3.45Å; I379-A441 HydrophobicContact CD1-CB 3.87Å; I379-A441 HydrophobicContact CG1-CB 4.34Å; I379-A441 PolarHBondContact N-O 2.63Å; M437-A441 HydrophobicContact CB-CB 4.24Å; S438-A441 WeakPolarHBondContact O-CB 3.42Å; S438-A441 PolarHBondContact O-N 3.25Å; A441-V443 HydrophobicContact CB-CG2 4.41Å; A441-T468 HydrophobicContact CB-CG2 4.21Å
442	K	79.6	Confident	65.3	Low	46 Å²	46	49.7 Å²	49.7	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.7	174.2	-63.4	172.9	177.1	-168.5	0	107.6	Q440 N466 M467 I543 D547	Q440-K442 PolarHBondContact O-N 2.82Å; K442-N466 PolarHBondContact O-OD1 3.24Å; K442-M467 HydrophobicContact CB-CB 4.28Å; K442-M467 HydrophobicContact CB-SD 4.04Å; K442-M467 VanDerWaalsContact O-CB 3.26Å; K442-M467 WeakPolarHBondContact O-CB 3.42Å; K442-M467 WeakPolarHBondContact O-CG 3.42Å; K442-M467 PolarHBondContact O-N 3.01Å; K442-I543 HydrophobicContact CB-CG2 3.89Å; K442-I543 HydrophobicContact CD-CG2 3.58Å; K442-I543 WeakPolarHBondContact CE-O 3.35Å; K442-I543 HydrophobicContact CG-CG2 3.64Å; K442-I543 PolarHBondContact NZ-O 2.95Å; K442-D547 IonicContact NZ-OD2 3.47Å; K442-D547 PolarHBondContact NZ-OD2 3.47Å
443	V	82	Confident	65.5	Low	2 Å²	2	50.3 Å²	50.3	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129	-168.5	-178.9	0	0	0	0	110.8	V376 F377 I379 A441 M464 I465	V376-V443 WeakPolarHBondContact CA-O 3.48Å; F377-V443 HydrophobicContact CE2-CB 4.13Å; F377-V443 HydrophobicContact CZ-CB 4.27Å; F377-V443 HydrophobicContact CZ-CG1 4.26Å; F377-V443 PolarHBondContact N-O 3.28Å; F377-V443 VanDerWaalsContact N-O 3.08Å; F377-V443 PolarHBondContact O-N 3.26Å; I379-V443 HydrophobicContact CD1-CG2 3.98Å; I379-V443 HydrophobicContact CG1-CG2 4.01Å; A441-V443 HydrophobicContact CB-CG2 4.41Å; V443-M464 HydrophobicContact CG1-CB 3.76Å; V443-M464 HydrophobicContact CG1-CG 4.03Å; V443-M464 HydrophobicContact CG1-SD 4.27Å; V443-I465 WeakPolarHBondContact CA-O 3.48Å
444	I	84.5	Confident	65.6	Low	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.4	167.9	-52	162.9	0	0	0	107.5	V376 M464 I465 M467 I475 Y479 I537 F540	V376-I444 HydrophobicContact CG1-CG1 4.28Å; V376-I444 HydrophobicContact CG2-CG1 4.13Å; I444-M464 CarbonylContact O-C 3.56Å; I444-M464 WeakPolarHBondContact O-CA 3.13Å; I444-I465 HydrophobicContact CB-CB 4.27Å; I444-I465 HydrophobicContact CD1-CG2 4.46Å; I444-I465 PolarHBondContact N-O 2.97Å; I444-I465 PolarHBondContact O-N 3.29Å; I444-M467 HydrophobicContact CD1-CG 4.1Å; I444-M467 HydrophobicContact CD1-SD 4.11Å; I444-M467 HydrophobicContact CG1-CG 4.02Å; I444-M467 HydrophobicContact CG1-SD 3.7Å; I444-I475 HydrophobicContact CD1-CG2 3.58Å; I444-Y479 HydrophobicContact CG2-CD2 4.35Å; I444-Y479 HydrophobicContact CG2-CE2 4.31Å; I444-I537 HydrophobicContact CD1-CD1 3.82Å; I444-I537 HydrophobicContact CG1-CD1 4.36Å; I444-I537 HydrophobicContact CG2-CD1 3.94Å; I444-F540 HydrophobicContact CD1-CE2 4.36Å
445	R	83.4	Confident	65.8	Low	58 Å²	58	58 Å²	58	22%	0.219	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.7	170.5	-179.3	-169.4	-166.6	-148.4	7.2	109.3	T374 Q375 F377 E462 G463 M464	T374-R445 CarbonylContact C-O 3.58Å; T374-R445 WeakPolarHBondContact CA-O 3.45Å; Q375-R445 PolarHBondContact N-O 2.85Å; Q375-R445 PolarHBondContact O-N 2.88Å; F377-R445 HydrophobicContact CE1-CB 3.57Å; F377-R445 HydrophobicContact CE1-CG 4.41Å; F377-R445 HydrophobicContact CZ-CB 4.2Å; R445-E462 HydrophobicContact CG-CG 4.27Å; R445-E462 IonicContact CZ-OE1 3.67Å; R445-E462 IonicContact CZ-OE2 3.49Å; R445-E462 IonicContact NE-OE1 3.19Å; R445-E462 PolarHBondContact NE-OE1 3Å; R445-E462 IonicContact NE-OE2 3.99Å; R445-E462 PolarHBondContact NE-OE2 3.09Å; R445-E462 IonicContact NH2-OE1 3.35Å; R445-E462 PolarHBondContact NH2-OE1 2.95Å; R445-E462 IonicContact NH2-OE2 2.69Å; R445-E462 PolarHBondContact NH2-OE2 3.24Å; R445-G463 WeakPolarHBondContact CA-O 3.48Å; R445-M464 HydrophobicContact CB-CG 4.32Å; R445-M464 HydrophobicContact CG-CG 4.34Å
446	Y	84.1	Confident	65.8	Low	17 Å²	17	58.6 Å²	58.6	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.8	178.1	61.6	-86.7	0	0	0	110.3	K373 I448 E462 G463 I465 N482 V483	K373-Y446 WeakPolarHBondContact O-CA 3.35Å; Y446-I448 HydrophobicContact CD2-CD1 4.06Å; Y446-I448 HydrophobicContact CD2-CG1 3.76Å; Y446-I448 HydrophobicContact CE2-CD1 3.86Å; Y446-I448 HydrophobicContact CE2-CG1 4.02Å; Y446-E462 WeakPolarHBondContact O-CA 3.17Å; Y446-G463 WeakPolarHBondContact CD1-O 3.22Å; Y446-G463 PolarHBondContact N-O 3.43Å; Y446-G463 PolarHBondContact O-N 3.04Å; Y446-I465 HydrophobicContact CE1-CD1 4.26Å; Y446-I465 HydrophobicContact CE1-CG1 4.06Å; Y446-N482 HydrophobicContact CE1-CB 4.37Å; Y446-N482 HydrophobicContact CE2-CB 4.33Å; Y446-N482 WeakPolarHBondContact OH-CB 3.32Å; Y446-V483 HydrophobicContact CD1-CG2 4.07Å; Y446-V483 HydrophobicContact CD2-CG2 3.67Å; Y446-V483 HydrophobicContact CE2-CG2 4.13Å; Y446-V483 HydrophobicContact CG-CG2 3.64Å
447	Q	79.5	Confident	65.6	Low	57 Å²	57	64.7 Å²	64.7	27%	0.266	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.7	176.7	-69.7	-178.6	-28.7	0	0	108.8	K373 E462	K373-Q447 PolarHBondContact O-N 3.34Å; Q447-E462 HydrophobicContact CG-CB 4.31Å; Q447-E462 HydrophobicContact CG-CG 4.17Å; Q447-E462 PolarHBondContact NE2-OE2 3.41Å
448	I	77.2	Confident	65	Low	17 Å²	17	70.4 Å²	70.4	9%	0.087	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123	178.9	-50.8	-176.2	0	0	0	108.6	Y446 K461 N482	Y446-I448 HydrophobicContact CD2-CD1 4.06Å; Y446-I448 HydrophobicContact CD2-CG1 3.76Å; Y446-I448 HydrophobicContact CE2-CD1 3.86Å; Y446-I448 HydrophobicContact CE2-CG1 4.02Å; I448-K461 PolarHBondContact N-O 3.08Å; I448-K461 PolarHBondContact O-N 2.83Å; I448-N482 VanDerWaalsContact CD1-O 3.27Å; I448-N482 WeakPolarHBondContact CD1-O 3.4Å
449	P	67.9	Low	64.4	Low	65 Å²	65	78.2 Å²	78.2	42%	0.422	43%	0.425	S	S	.	.			trans	-64	135.7	171.6	26.8	-32.8	0	0	0	110.4	A371 T451	A371-P449 HydrophobicContact CB-CG 4.49Å; P449-T451 PolarHBondContact O-N 2.72Å; P449-T451 VanDerWaalsContact O-N 3.15Å
450	S	61.4	Low	64.2	Low	57 Å²	57	80 Å²	80	40%	0.399	44%	0.439	S	S	.	.			trans	-62.1	115.4	178	-65.7	0	0	0	0	110	D452	S450-D452 PolarHBondContact O-N 3.46Å
451	T	60	Low	64.1	Low	119 Å²	119	83.1 Å²	83.1	73%	0.73	45%	0.451	S	S	*	.			trans	-79.5	1.2	-173.6	-19.7	0	0	0	0	113.7	P449	P449-T451 PolarHBondContact O-N 2.72Å; P449-T451 VanDerWaalsContact O-N 3.15Å
452	D	53.3	Low	64.2	Low	97 Å²	97	87 Å²	87	52%	0.519	47%	0.469	S	S	.	.	S	Bend	trans	-92.3	127.5	173.1	-56.9	-32.5	0	0	0	109.2	S450 N454 K458	S450-D452 PolarHBondContact O-N 3.46Å; D452-N454 PolarHBondContact O-N 2.55Å; D452-K458 IonicContact OD2-NZ 3.53Å; D452-K458 PolarHBondContact OD2-NZ 3.27Å
453	G	52.1	Low	64.1	Low	79 Å²	79	85.5 Å²	85.5	81%	0.814	47%	0.466	S	S	*	.	S	Bend	trans	-67.2	20	179.7	0	0	0	0	0	116.9	I455	G453-I455 PolarHBondContact O-N 3.4Å
454	N	45.1	Very low	64.2	Low	140 Å²	140	90.4 Å²	90.4	75%	0.749	49%	0.49	S	S	*	.			trans	-93.3	86.9	178.1	-106.3	-58.2	0	0	0	110.4	D452 S456	D452-N454 PolarHBondContact O-N 2.55Å; N454-S456 PolarHBondContact O-N 2.93Å
455	I	49.4	Very low	64.2	Low	168 Å²	168	90.4 Å²	90.4	86%	0.862	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.5	-166.9	-65.7	164.3	0	0	0	114.2	G453	G453-I455 PolarHBondContact O-N 3.4Å
456	S	49	Very low	64.1	Low	109 Å²	109	88.4 Å²	88.4	76%	0.762	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-7.3	-159.8	-48.2	0	0	0	0	118	N454	N454-S456 PolarHBondContact O-N 2.93Å
457	Q	47.9	Very low	64.1	Low	183 Å²	183	88.3 Å²	88.3	86%	0.855	48%	0.484	S	S	*	.	S	Bend	trans	-140.3	4.5	-164.7	-74.5	-165.2	-10.8	0	0	119.4
458	K	49.2	Very low	64	Low	143 Å²	143	86.6 Å²	86.6	62%	0.622	48%	0.478	S	S	*	.			trans	-131.7	117.8	174.7	-67.7	179.6	-168.6	165.8	0	112.3	D452	D452-K458 IonicContact OD2-NZ 3.53Å; D452-K458 PolarHBondContact OD2-NZ 3.27Å
459	Q	50.1	Low	63.9	Low	171 Å²	171	88.9 Å²	88.9	80%	0.799	51%	0.505	S	S	*	.			trans	-55.4	145.6	166.3	-65.8	-66.9	-31.8	0	0	110.1
460	P	56.1	Low	64.7	Low	64 Å²	64	89.1 Å²	89.1	42%	0.416	50%	0.5	S	S	.	.			trans	-58.8	140.1	178.1	25.7	-34.5	0	0	0	110.4	E462	P460-E462 PolarHBondContact O-N 2.66Å
461	K	63.8	Low	66.1	Low	153 Å²	153	88.6 Å²	88.6	67%	0.665	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	93.2	-178.3	-167.2	-176	179.1	-170.2	0	109.4	I448	I448-K461 PolarHBondContact N-O 3.08Å; I448-K461 PolarHBondContact O-N 2.83Å
462	E	73.1	Confident	67.7	Low	82 Å²	82	86 Å²	86	38%	0.383	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.2	170.4	-173.7	164.6	139	0	0	111.1	R445 Y446 Q447 P460	R445-E462 HydrophobicContact CG-CG 4.27Å; R445-E462 IonicContact CZ-OE1 3.67Å; R445-E462 IonicContact CZ-OE2 3.49Å; R445-E462 IonicContact NE-OE1 3.19Å; R445-E462 PolarHBondContact NE-OE1 3Å; R445-E462 IonicContact NE-OE2 3.99Å; R445-E462 PolarHBondContact NE-OE2 3.09Å; R445-E462 IonicContact NH2-OE1 3.35Å; R445-E462 PolarHBondContact NH2-OE1 2.95Å; R445-E462 IonicContact NH2-OE2 2.69Å; R445-E462 PolarHBondContact NH2-OE2 3.24Å; Y446-E462 WeakPolarHBondContact O-CA 3.17Å; Q447-E462 HydrophobicContact CG-CB 4.31Å; Q447-E462 HydrophobicContact CG-CG 4.17Å; Q447-E462 PolarHBondContact NE2-OE2 3.41Å; P460-E462 PolarHBondContact O-N 2.66Å
463	G	78.1	Confident	69.6	Low	14 Å²	14	82.9 Å²	82.9	14%	0.144	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.2	170.6	0	0	0	0	0	112	R445 Y446	R445-G463 WeakPolarHBondContact CA-O 3.48Å; Y446-G463 WeakPolarHBondContact CD1-O 3.22Å; Y446-G463 PolarHBondContact N-O 3.43Å; Y446-G463 PolarHBondContact O-N 3.04Å
464	M	82.6	Confident	71.6	Confident	105 Å²	105	80 Å²	80	52%	0.517	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	127.7	-177.2	-70.9	-175	-66.8	0	0	110	V443 I444 R445	V443-M464 HydrophobicContact CG1-CB 3.76Å; V443-M464 HydrophobicContact CG1-CG 4.03Å; V443-M464 HydrophobicContact CG1-SD 4.27Å; I444-M464 CarbonylContact O-C 3.56Å; I444-M464 WeakPolarHBondContact O-CA 3.13Å; R445-M464 HydrophobicContact CB-CG 4.32Å; R445-M464 HydrophobicContact CG-CG 4.34Å
465	I	84.7	Confident	73.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.8	171.8	-64.6	169.2	0	0	0	106.7	V443 I444 Y446 I475 E478 Y479	V443-I465 WeakPolarHBondContact CA-O 3.48Å; I444-I465 HydrophobicContact CB-CB 4.27Å; I444-I465 HydrophobicContact CD1-CG2 4.46Å; I444-I465 PolarHBondContact N-O 2.97Å; I444-I465 PolarHBondContact O-N 3.29Å; Y446-I465 HydrophobicContact CE1-CD1 4.26Å; Y446-I465 HydrophobicContact CE1-CG1 4.06Å; I465-I475 HydrophobicContact CG2-CG2 4.48Å; I465-E478 HydrophobicContact CD1-CG 4.08Å; I465-E478 HydrophobicContact CG1-CG 4.03Å; I465-E478 HydrophobicContact CG2-CG 4.3Å; I465-Y479 HydrophobicContact CD1-CD2 4.2Å
466	N	82.4	Confident	76	Confident	16 Å²	16	65.5 Å²	65.5	9%	0.086	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.4	165.9	-177.7	13.3	0	0	0	108.8	M437 K442 T468 K470 R580	M437-N466 HydrophobicContact SD-CB 4.27Å; K442-N466 PolarHBondContact O-OD1 3.24Å; N466-T468 PolarHBondContact ND2-OG1 2.96Å; N466-T468 PolarHBondContact OD1-N 2.84Å; N466-T468 PolarHBondContact OD1-OG1 2.96Å; N466-K470 VanDerWaalsContact O-CD 3.3Å; N466-K470 WeakPolarHBondContact O-CD 3.5Å; N466-K470 WeakPolarHBondContact O-CE 3.39Å; N466-K470 PolarHBondContact O-NZ 2.85Å; N466-R580 PolarHBondContact ND2-O 3.42Å; N466-R580 VanDerWaalsContact ND2-O 3.08Å
467	M	84.2	Confident	78.1	Confident	15 Å²	15	63.4 Å²	63.4	7%	0.074	33%	0.327	C	S	.	.			trans	-92.3	-18.3	179.4	-58	169.6	63.9	0	0	113	V376 K442 I444 G469 K470 I475 F540 V544	V376-M467 HydrophobicContact CG1-SD 3.87Å; K442-M467 HydrophobicContact CB-CB 4.28Å; K442-M467 HydrophobicContact CB-SD 4.04Å; K442-M467 VanDerWaalsContact O-CB 3.26Å; K442-M467 WeakPolarHBondContact O-CB 3.42Å; K442-M467 WeakPolarHBondContact O-CG 3.42Å; K442-M467 PolarHBondContact O-N 3.01Å; I444-M467 HydrophobicContact CD1-CG 4.1Å; I444-M467 HydrophobicContact CD1-SD 4.11Å; I444-M467 HydrophobicContact CG1-CG 4.02Å; I444-M467 HydrophobicContact CG1-SD 3.7Å; M467-G469 PolarHBondContact O-N 2.89Å; M467-K470 PolarHBondContact O-N 2.92Å; M467-I475 HydrophobicContact CB-CD1 3.83Å; M467-I475 HydrophobicContact CE-CD1 4.29Å; M467-I475 HydrophobicContact CG-CD1 4.11Å; M467-F540 HydrophobicContact CE-CD2 4.17Å; M467-F540 HydrophobicContact CE-CE2 3.45Å; M467-F540 VanDerWaalsContact CE-CE2 3.45Å; M467-F540 HydrophobicContact CE-CZ 3.84Å; M467-V544 HydrophobicContact CE-CG2 3.66Å
468	T	76.6	Confident	80.3	Confident	22 Å²	22	57 Å²	57	14%	0.135	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	138.2	-174.7	59.6	0	0	0	0	112	A441 N466 K470 A582	A441-T468 HydrophobicContact CB-CG2 4.21Å; N466-T468 PolarHBondContact ND2-OG1 2.96Å; N466-T468 PolarHBondContact OD1-N 2.84Å; N466-T468 PolarHBondContact OD1-OG1 2.96Å; T468-K470 PolarHBondContact O-N 2.93Å; T468-K470 VanDerWaalsContact O-N 3.07Å; T468-A582 WeakPolarHBondContact O-CB 3.39Å; T468-A582 VanDerWaalsContact OG1-CB 3.25Å; T468-A582 WeakPolarHBondContact OG1-CB 3.38Å
469	G	75	Confident	82.3	Confident	64 Å²	64	50.2 Å²	50.2	66%	0.66	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-3.2	-177.2	0	0	0	0	0	115.8	M467	M467-G469 PolarHBondContact O-N 2.89Å
470	K	84.9	Confident	84.4	Confident	71 Å²	71	42.1 Å²	42.1	31%	0.309	23%	0.23	S	C	.	.			trans	-99.4	137.1	179.9	-62.9	-176.4	-168.6	163.7	0	111.3	N466 M467 T468 C474 I475 E478	N466-K470 VanDerWaalsContact O-CD 3.3Å; N466-K470 WeakPolarHBondContact O-CD 3.5Å; N466-K470 WeakPolarHBondContact O-CE 3.39Å; N466-K470 PolarHBondContact O-NZ 2.85Å; M467-K470 PolarHBondContact O-N 2.92Å; T468-K470 PolarHBondContact O-N 2.93Å; T468-K470 VanDerWaalsContact O-N 3.07Å; K470-C474 HydrophobicContact CB-CB 4.27Å; K470-I475 HydrophobicContact CB-CD1 4.16Å; K470-I475 HydrophobicContact CB-CG1 3.7Å; K470-I475 HydrophobicContact CD-CG1 4.45Å; K470-E478 WeakPolarHBondContact CD-OE2 3.28Å; K470-E478 WeakPolarHBondContact CE-OE2 3.48Å; K470-E478 IonicContact NZ-OE1 2.73Å; K470-E478 PolarHBondContact NZ-OE1 3.43Å; K470-E478 IonicContact NZ-OE2 2.8Å; K470-E478 PolarHBondContact NZ-OE2 3.01Å
471	S	90.9	Very high	86.1	Confident	45 Å²	45	44.4 Å²	44.4	32%	0.315	24%	0.235	S	C	.	.			trans	-70.3	157.2	171.4	83.1	0	0	0	0	111.8	V473 C474 I475	S471-V473 PolarHBondContact O-N 3.18Å; S471-V473 PolarHBondContact OG-N 3.11Å; S471-C474 WeakPolarHBondContact O-CA 3.2Å; S471-C474 WeakPolarHBondContact O-CB 3.39Å; S471-C474 PolarHBondContact O-N 3.31Å; S471-C474 PolarHBondContact OG-N 2.87Å; S471-C474 PolarHBondContact OG-SG 3.34Å; S471-I475 WeakPolarHBondContact O-CG1 3.45Å; S471-I475 PolarHBondContact O-N 3.08Å
472	Y	93.1	Very high	87.2	Confident	64 Å²	64	40 Å²	40	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-56.4	-33.2	175.6	-58.5	-55.8	0	0	0	113	I475 L476 R530 L533 F540 V544	Y472-I475 PolarHBondContact O-N 3.46Å; Y472-L476 WeakPolarHBondContact O-CB 3.19Å; Y472-L476 PolarHBondContact O-N 3.07Å; Y472-R530 HydrophobicContact CD2-CB 3.9Å; Y472-R530 HydrophobicContact CD2-CG 4.36Å; Y472-R530 HydrophobicContact CE2-CB 4.28Å; Y472-R530 HydrophobicContact CE2-CG 4.27Å; Y472-R530 HydrophobicContact CG-CB 4.06Å; Y472-L533 HydrophobicContact CD1-CD1 4.43Å; Y472-F540 HydrophobicContact CD1-CE1 4.38Å; Y472-F540 AromaticContact CD1-CZ 3.96Å; Y472-F540 HydrophobicContact CD1-CZ 3.96Å; Y472-F540 HydrophobicContact CE1-CE1 4.28Å; Y472-F540 HydrophobicContact CE1-CZ 4.09Å; Y472-V544 HydrophobicContact CE1-CG1 3.88Å; Y472-V544 VanDerWaalsContact OH-CG1 3.26Å; Y472-V544 WeakPolarHBondContact OH-CG1 3.14Å
473	V	94.2	Very high	88	Confident	33 Å²	33	36.6 Å²	36.6	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-42	174.3	172.5	0	0	0	0	111.1	S471 H477 R525 L526 A529	S471-V473 PolarHBondContact O-N 3.18Å; S471-V473 PolarHBondContact OG-N 3.11Å; V473-H477 VanDerWaalsContact O-CB 3.31Å; V473-H477 WeakPolarHBondContact O-CB 3.09Å; V473-H477 PolarHBondContact O-N 3.26Å; V473-R525 HydrophobicContact CG2-CB 4.48Å; V473-R525 HydrophobicContact CG2-CG 3.83Å; V473-L526 HydrophobicContact CG2-CD2 4.1Å; V473-A529 HydrophobicContact CB-CB 4.49Å; V473-A529 HydrophobicContact CG2-CB 3.84Å
474	C	92.6	Very high	88.5	Confident	19 Å²	19	37.1 Å²	37.1	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-68.5	-45.8	177.1	-56.2	0	0	0	0	111.4	L246 K470 S471 L476 H477 E478	L246-C474 HydrophobicContact CD1-CB 4.3Å; K470-C474 HydrophobicContact CB-CB 4.27Å; S471-C474 WeakPolarHBondContact O-CA 3.2Å; S471-C474 WeakPolarHBondContact O-CB 3.39Å; S471-C474 PolarHBondContact O-N 3.31Å; S471-C474 PolarHBondContact OG-N 2.87Å; S471-C474 PolarHBondContact OG-SG 3.34Å; C474-L476 PolarHBondContact O-N 2.85Å; C474-H477 PolarHBondContact O-N 3.48Å; C474-E478 WeakPolarHBondContact O-CB 3.39Å; C474-E478 PolarHBondContact O-N 2.92Å
475	I	92.7	Very high	88.7	Confident	3 Å²	3	40 Å²	40	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-44.6	178.7	-63.3	166	0	0	0	110.4	I444 I465 M467 K470 S471 Y472 E478 Y479 L533	I444-I475 HydrophobicContact CD1-CG2 3.58Å; I465-I475 HydrophobicContact CG2-CG2 4.48Å; M467-I475 HydrophobicContact CB-CD1 3.83Å; M467-I475 HydrophobicContact CE-CD1 4.29Å; M467-I475 HydrophobicContact CG-CD1 4.11Å; K470-I475 HydrophobicContact CB-CD1 4.16Å; K470-I475 HydrophobicContact CB-CG1 3.7Å; K470-I475 HydrophobicContact CD-CG1 4.45Å; S471-I475 WeakPolarHBondContact O-CG1 3.45Å; S471-I475 PolarHBondContact O-N 3.08Å; Y472-I475 PolarHBondContact O-N 3.46Å; I475-E478 PolarHBondContact O-N 2.9Å; I475-Y479 VanDerWaalsContact O-CB 3.27Å; I475-Y479 WeakPolarHBondContact O-CB 3.26Å; I475-Y479 PolarHBondContact O-N 2.68Å; I475-L533 HydrophobicContact CB-CD1 4.03Å; I475-L533 HydrophobicContact CG2-CD1 3.82Å; I475-L533 HydrophobicContact CG2-CD2 4.1Å
476	L	94.3	Very high	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-45.5	175	178.3	63.7	0	0	0	111.5	Y472 C474 E478 Y479 C480 P488 V506 A529 A532 L533 L536	Y472-L476 WeakPolarHBondContact O-CB 3.19Å; Y472-L476 PolarHBondContact O-N 3.07Å; C474-L476 PolarHBondContact O-N 2.85Å; L476-E478 PolarHBondContact O-N 2.9Å; L476-Y479 PolarHBondContact O-N 3.15Å; L476-C480 VanDerWaalsContact O-CB 3.24Å; L476-C480 WeakPolarHBondContact O-CB 3.41Å; L476-C480 PolarHBondContact O-N 3.46Å; L476-C480 PolarHBondContact O-SG 3.04Å; L476-P488 HydrophobicContact CD2-CB 4.29Å; L476-P488 HydrophobicContact CG-CB 4.4Å; L476-P488 HydrophobicContact CG-CG 4.3Å; L476-V506 HydrophobicContact CD2-CG1 3.87Å; L476-V506 HydrophobicContact CD2-CG2 4.16Å; L476-A529 HydrophobicContact CB-CB 4.36Å; L476-A529 HydrophobicContact CD2-CB 3.8Å; L476-A532 HydrophobicContact CD1-CB 4.32Å; L476-A532 HydrophobicContact CD2-CB 4.07Å; L476-L533 HydrophobicContact CB-CD1 4.13Å; L476-L533 HydrophobicContact CB-CD2 4.23Å; L476-L533 HydrophobicContact CB-CG 4.03Å; L476-L533 HydrophobicContact CD1-CD2 4.13Å; L476-L533 HydrophobicContact CD1-CG 4.16Å; L476-L536 HydrophobicContact CD1-CD1 3.64Å
477	H	94.7	Very high	89.4	Confident	65 Å²	65	48.8 Å²	48.8	30%	0.301	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-44.7	178.7	-167.5	84.1	0	0	0	111.8	V473 C474 C480 Q481	V473-H477 VanDerWaalsContact O-CB 3.31Å; V473-H477 WeakPolarHBondContact O-CB 3.09Å; V473-H477 PolarHBondContact O-N 3.26Å; C474-H477 PolarHBondContact O-N 3.48Å; H477-C480 PolarHBondContact O-N 3.02Å; H477-Q481 PolarHBondContact CD2-NE2 2.93Å; H477-Q481 VanDerWaalsContact CD2-NE2 3.26Å; H477-Q481 PolarHBondContact NE2-NE2 3.35Å; H477-Q481 WeakPolarHBondContact O-CB 3.45Å; H477-Q481 WeakPolarHBondContact O-CG 3.37Å; H477-Q481 PolarHBondContact O-N 3.33Å
478	E	92.1	Very high	89.9	Confident	47 Å²	47	48.7 Å²	48.7	22%	0.22	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-38.7	177.4	-173.1	177.3	161.7	0	0	112.5	I465 K470 C474 I475 L476 N482	I465-E478 HydrophobicContact CD1-CG 4.08Å; I465-E478 HydrophobicContact CG1-CG 4.03Å; I465-E478 HydrophobicContact CG2-CG 4.3Å; K470-E478 WeakPolarHBondContact CD-OE2 3.28Å; K470-E478 WeakPolarHBondContact CE-OE2 3.48Å; K470-E478 IonicContact NZ-OE1 2.73Å; K470-E478 PolarHBondContact NZ-OE1 3.43Å; K470-E478 IonicContact NZ-OE2 2.8Å; K470-E478 PolarHBondContact NZ-OE2 3.01Å; C474-E478 WeakPolarHBondContact O-CB 3.39Å; C474-E478 PolarHBondContact O-N 2.92Å; I475-E478 PolarHBondContact O-N 2.9Å; L476-E478 PolarHBondContact O-N 2.9Å; E478-N482 WeakPolarHBondContact CG-ND2 3.47Å; E478-N482 VanDerWaalsContact O-CB 3.27Å; E478-N482 WeakPolarHBondContact O-CB 3.45Å; E478-N482 PolarHBondContact O-N 3.03Å; E478-N482 PolarHBondContact O-ND2 2.93Å
479	Y	93	Very high	90.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-48.7	173.5	-176.8	-96.6	0	0	0	111.4	T374 I444 I465 I475 L476 Q481 N482 V483 I484 L536 I537	T374-Y479 HydrophobicContact CG2-CE2 4.03Å; T374-Y479 WeakPolarHBondContact CG2-OH 3.28Å; I444-Y479 HydrophobicContact CG2-CD2 4.35Å; I444-Y479 HydrophobicContact CG2-CE2 4.31Å; I465-Y479 HydrophobicContact CD1-CD2 4.2Å; I475-Y479 VanDerWaalsContact O-CB 3.27Å; I475-Y479 WeakPolarHBondContact O-CB 3.26Å; I475-Y479 PolarHBondContact O-N 2.68Å; L476-Y479 PolarHBondContact O-N 3.15Å; Y479-Q481 VanDerWaalsContact C-N 3.35Å; Y479-Q481 PolarHBondContact O-N 3.46Å; Y479-N482 PolarHBondContact O-N 3.18Å; Y479-V483 HydrophobicContact CD2-CB 4.45Å; Y479-V483 HydrophobicContact CD2-CG2 3.84Å; Y479-V483 HydrophobicContact CE1-CB 4.46Å; Y479-V483 HydrophobicContact CE2-CB 4.31Å; Y479-V483 HydrophobicContact CE2-CG1 4.47Å; Y479-V483 HydrophobicContact CE2-CG2 3.79Å; Y479-V483 HydrophobicContact CG-CG2 4.38Å; Y479-V483 VanDerWaalsContact O-CB 3.28Å; Y479-V483 WeakPolarHBondContact O-CB 3.37Å; Y479-V483 PolarHBondContact O-N 3.46Å; Y479-I484 HydrophobicContact CD1-CD1 4.37Å; Y479-I484 HydrophobicContact CE1-CD1 4.22Å; Y479-I484 HydrophobicContact CE1-CG1 4.4Å; Y479-L536 HydrophobicContact CD1-CD1 4.1Å; Y479-L536 HydrophobicContact CE1-CB 3.87Å; Y479-L536 HydrophobicContact CE1-CD1 4.03Å; Y479-L536 HydrophobicContact CE1-CD2 4.43Å; Y479-L536 HydrophobicContact CE1-CG 4.35Å; Y479-L536 PolarHBondContact OH-O 3.06Å; Y479-I537 HydrophobicContact CD2-CD1 3.8Å; Y479-I537 HydrophobicContact CD2-CG1 4.45Å; Y479-I537 HydrophobicContact CE1-CD1 4.48Å; Y479-I537 HydrophobicContact CE1-CG1 4.28Å; Y479-I537 HydrophobicContact CE2-CD1 3.56Å; Y479-I537 HydrophobicContact CE2-CG1 3.75Å; Y479-I537 HydrophobicContact CG-CD1 4.35Å
480	C	93	Very high	91.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	I	π-helix	trans	-61.5	-39.3	177.3	-72.7	0	0	0	0	112.5	L476 H477 I484 R485 R486 P488	L476-C480 VanDerWaalsContact O-CB 3.24Å; L476-C480 WeakPolarHBondContact O-CB 3.41Å; L476-C480 PolarHBondContact O-N 3.46Å; L476-C480 PolarHBondContact O-SG 3.04Å; H477-C480 PolarHBondContact O-N 3.02Å; C480-I484 CarbonylContact O-C 3.6Å; C480-I484 PolarHBondContact O-N 2.94Å; C480-R485 WeakPolarHBondContact O-CA 3.26Å; C480-R485 PolarHBondContact O-N 3.41Å; C480-R486 WeakPolarHBondContact CB-O 3.36Å; C480-R486 PolarHBondContact O-N 3.27Å; C480-P488 HydrophobicContact CB-CG 4.31Å
481	Q	91.2	Very high	92.4	Very high	112 Å²	112	53.3 Å²	53.3	52%	0.523	26%	0.259	S	S	.	.	I	π-helix	trans	-64.2	-51.6	172.4	-76.9	-174.3	-0	0	0	112.4	H477 Y479 R485	H477-Q481 PolarHBondContact CD2-NE2 2.93Å; H477-Q481 VanDerWaalsContact CD2-NE2 3.26Å; H477-Q481 PolarHBondContact NE2-NE2 3.35Å; H477-Q481 WeakPolarHBondContact O-CB 3.45Å; H477-Q481 WeakPolarHBondContact O-CG 3.37Å; H477-Q481 PolarHBondContact O-N 3.33Å; Y479-Q481 VanDerWaalsContact C-N 3.35Å; Y479-Q481 PolarHBondContact O-N 3.46Å; Q481-R485 WeakPolarHBondContact O-CA 3.4Å
482	N	88.8	Confident	92.6	Very high	60 Å²	60	54.5 Å²	54.5	32%	0.321	26%	0.264	S	S	.	.	I	π-helix	trans	-76.4	-39.3	-170.6	-81	-59.1	0	0	0	113.7	Y446 I448 E478 Y479	Y446-N482 HydrophobicContact CE1-CB 4.37Å; Y446-N482 HydrophobicContact CE2-CB 4.33Å; Y446-N482 WeakPolarHBondContact OH-CB 3.32Å; I448-N482 VanDerWaalsContact CD1-O 3.27Å; I448-N482 WeakPolarHBondContact CD1-O 3.4Å; E478-N482 WeakPolarHBondContact CG-ND2 3.47Å; E478-N482 VanDerWaalsContact O-CB 3.27Å; E478-N482 WeakPolarHBondContact O-CB 3.45Å; E478-N482 PolarHBondContact O-N 3.03Å; E478-N482 PolarHBondContact O-ND2 2.93Å; Y479-N482 PolarHBondContact O-N 3.18Å
483	V	88.6	Confident	92.7	Very high	12 Å²	12	53.6 Å²	53.6	7%	0.073	27%	0.265	C	S	.	.	I	π-helix	trans	-98.7	-60.3	-171.6	-179.9	0	0	0	0	111	V372 Y446 Y479	V372-V483 HydrophobicContact CB-CG1 4.17Å; V372-V483 HydrophobicContact CG1-CG1 3.84Å; V372-V483 HydrophobicContact CG2-CG1 3.99Å; Y446-V483 HydrophobicContact CD1-CG2 4.07Å; Y446-V483 HydrophobicContact CD2-CG2 3.67Å; Y446-V483 HydrophobicContact CE2-CG2 4.13Å; Y446-V483 HydrophobicContact CG-CG2 3.64Å; Y479-V483 HydrophobicContact CD2-CB 4.45Å; Y479-V483 HydrophobicContact CD2-CG2 3.84Å; Y479-V483 HydrophobicContact CE1-CB 4.46Å; Y479-V483 HydrophobicContact CE2-CB 4.31Å; Y479-V483 HydrophobicContact CE2-CG1 4.47Å; Y479-V483 HydrophobicContact CE2-CG2 3.79Å; Y479-V483 HydrophobicContact CG-CG2 4.38Å; Y479-V483 VanDerWaalsContact O-CB 3.28Å; Y479-V483 WeakPolarHBondContact O-CB 3.37Å; Y479-V483 PolarHBondContact O-N 3.46Å
484	I	88.1	Confident	92.7	Very high	25 Å²	25	57.4 Å²	57.4	13%	0.128	29%	0.289	C	S	.	.	I	π-helix	trans	-79.5	-24.3	-173.7	-51.4	178.8	0	0	0	111.6	I369 Y479 C480 R486 I508 L536	I369-I484 HydrophobicContact CD1-CD1 4.16Å; Y479-I484 HydrophobicContact CD1-CD1 4.37Å; Y479-I484 HydrophobicContact CE1-CD1 4.22Å; Y479-I484 HydrophobicContact CE1-CG1 4.4Å; C480-I484 CarbonylContact O-C 3.6Å; C480-I484 PolarHBondContact O-N 2.94Å; I484-R486 PolarHBondContact O-N 3.49Å; I484-I508 HydrophobicContact CD1-CD1 4.13Å; I484-I508 HydrophobicContact CD1-CG2 4.26Å; I484-I508 HydrophobicContact CG2-CG2 4.07Å; I484-L536 HydrophobicContact CD1-CD1 4.24Å; I484-L536 HydrophobicContact CD1-CD2 3.89Å
485	R	88.2	Confident	92.6	Very high	166 Å²	166	59.2 Å²	59.2	63%	0.626	30%	0.297	S	S	*	.			trans	58.8	18.8	-175.4	-51.1	-176.7	-171.7	161.8	7.2	115	C480 Q481	C480-R485 WeakPolarHBondContact O-CA 3.26Å; C480-R485 PolarHBondContact O-N 3.41Å; Q481-R485 WeakPolarHBondContact O-CA 3.4Å
486	R	88.8	Confident	92.5	Very high	115 Å²	115	69.2 Å²	69.2	43%	0.434	34%	0.344	S	S	.	.	S	Bend	trans	-132.1	138.8	172.7	-52.3	-160.2	-165.1	104.3	-1.4	109	E368 C480 I484 N509	E368-R486 IonicContact OE1-NH2 3.24Å; E368-R486 IonicContact OE2-NH1 3.02Å; C480-R486 WeakPolarHBondContact CB-O 3.36Å; C480-R486 PolarHBondContact O-N 3.27Å; I484-R486 PolarHBondContact O-N 3.49Å; R486-N509 WeakPolarHBondContact CD-OD1 3.27Å; R486-N509 PolarHBondContact NH1-ND2 2.96Å; R486-N509 PolarHBondContact NH1-OD1 2.82Å
487	P	92.4	Very high	92.2	Very high	85 Å²	85	72.6 Å²	72.6	55%	0.552	36%	0.361	S	S	*	.			trans	-72.4	150.9	-176.7	30.3	-35.4	0	0	0	112
488	P	95.2	Very high	91.9	Very high	12 Å²	12	78.8 Å²	78.8	8%	0.078	39%	0.39	C	S	.	.			trans	-77.1	138.9	169.6	32.6	-31.1	0	0	0	110.1	L476 C480 Y490 V506 I508	L476-P488 HydrophobicContact CD2-CB 4.29Å; L476-P488 HydrophobicContact CG-CB 4.4Å; L476-P488 HydrophobicContact CG-CG 4.3Å; C480-P488 HydrophobicContact CB-CG 4.31Å; P488-Y490 HydrophobicContact CB-CE2 4.45Å; P488-Y490 HydrophobicContact CG-CE2 4.31Å; P488-V506 HydrophobicContact CB-CG1 4.26Å; P488-I508 HydrophobicContact CB-CG1 4.21Å
489	T	96.2	Very high	91.8	Very high	84 Å²	84	84.4 Å²	84.4	52%	0.515	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	159.5	169.9	54.1	0	0	0	0	110.5	F507	T489-F507 PolarHBondContact N-O 3.31Å; T489-F507 PolarHBondContact O-N 3.29Å; T489-F507 WeakPolarHBondContact OG1-CB 3.35Å; T489-F507 PolarHBondContact OG1-O 3.41Å
490	Y	96.1	Very high	91.7	Very high	65 Å²	65	87.1 Å²	87.1	26%	0.255	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.2	-173.6	-65.5	-94.8	0	0	0	110	P488 M504 T505 V506 R525	P488-Y490 HydrophobicContact CB-CE2 4.45Å; P488-Y490 HydrophobicContact CG-CE2 4.31Å; Y490-M504 HydrophobicContact CD1-CG 3.93Å; Y490-T505 WeakPolarHBondContact CA-O 3.46Å; Y490-V506 HydrophobicContact CD1-CG2 3.94Å; Y490-V506 HydrophobicContact CE1-CG2 3.66Å; Y490-R525 HydrophobicContact CD1-CG 3.71Å; Y490-R525 HydrophobicContact CE1-CG 3.59Å; Y490-R525 HydrophobicContact CG-CG 4.4Å
491	Q	95.9	Very high	91.7	Very high	105 Å²	105	88.9 Å²	88.9	49%	0.491	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.2	172.6	-169.3	-178.9	13.4	0	0	109.4	M504 T505 F507	Q491-M504 CarbonylContact O-C 3.56Å; Q491-M504 WeakPolarHBondContact O-CA 3.29Å; Q491-T505 PolarHBondContact N-O 3.23Å; Q491-T505 PolarHBondContact O-N 3.15Å; Q491-F507 HydrophobicContact CB-CD2 4.26Å; Q491-F507 HydrophobicContact CB-CE2 3.72Å; Q491-F507 VanDerWaalsContact OE1-CE2 3.3Å
492	T	95.5	Very high	92	Very high	70 Å²	70	87.4 Å²	87.4	43%	0.429	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.7	173.1	-50	0	0	0	0	109.6	Q503 M504	T492-Q503 CarbonylContact C-O 3.48Å; T492-Q503 WeakPolarHBondContact CA-O 3.41Å; T492-M504 HydrophobicContact CG2-CE 4.07Å; T492-M504 WeakPolarHBondContact OG1-CE 3.39Å; T492-M504 PolarHBondContact OG1-SD 3.04Å; T492-M504 VanDerWaalsContact OG1-SD 3.34Å
493	T	94.8	Very high	92.3	Very high	45 Å²	45	87.2 Å²	87.2	28%	0.276	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.8	170.3	44.6	0	0	0	0	107.8	Q503	T493-Q503 PolarHBondContact N-O 2.94Å; T493-Q503 PolarHBondContact O-N 3.07Å; T493-Q503 WeakPolarHBondContact OG1-CB 3.25Å; T493-Q503 WeakPolarHBondContact OG1-CG 3.46Å; T493-Q503 PolarHBondContact OG1-NE2 3.45Å; T493-Q503 PolarHBondContact OG1-O 3.4Å
494	V	93.7	Very high	92.7	Very high	113 Å²	113	86.7 Å²	86.7	69%	0.685	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.1	175.1	-179.3	0	0	0	0	108.2	P501	V494-P501 CarbonylContact C-O 3.59Å; V494-P501 WeakPolarHBondContact CA-O 3.39Å
495	L	91.1	Very high	93.1	Very high	58 Å²	58	86.3 Å²	86.3	30%	0.304	42%	0.423	S	S	.	.			trans	-117.2	146.8	178.7	-63.2	-178	0	0	0	110.6	N497 P501 Q503	L495-N497 HydrophobicContact CB-CB 4.29Å; L495-N497 PolarHBondContact O-N 3.18Å; L495-P501 PolarHBondContact N-O 3.16Å; L495-P501 WeakPolarHBondContact O-CA 3.17Å; L495-Q503 HydrophobicContact CD1-CB 3.77Å; L495-Q503 HydrophobicContact CD2-CB 4.45Å; L495-Q503 HydrophobicContact CG-CB 3.88Å
496	E	91.5	Very high	93.5	Very high	213 Å²	213	78.4 Å²	78.4	100%	0.995	39%	0.393	S	S	*	.	S	Bend	trans	-76.2	56.9	171.2	-61.7	178.2	174.4	0	0	111
497	N	87.8	Confident	93.9	Very high	70 Å²	70	75 Å²	75	37%	0.374	38%	0.382	S	S	.	.			trans	-135.4	107.9	-176.7	-178.5	-20.7	0	0	0	110.5	L495 K499 N500 P501	L495-N497 HydrophobicContact CB-CB 4.29Å; L495-N497 PolarHBondContact O-N 3.18Å; N497-K499 PolarHBondContact O-N 2.91Å; N497-K499 VanDerWaalsContact O-N 3.09Å; N497-K499 PolarHBondContact OD1-N 3.1Å; N497-N500 CarbonylContact O-C 3.54Å; N497-N500 VanDerWaalsContact O-C 3.28Å; N497-N500 PolarHBondContact O-N 2.65Å; N497-N500 VanDerWaalsContact O-N 3.12Å; N497-N500 PolarHBondContact OD1-N 3.41Å; N497-P501 WeakPolarHBondContact O-CA 3.06Å; N497-P501 VanDerWaalsContact O-CD 3.27Å; N497-P501 WeakPolarHBondContact O-CD 3.29Å
498	E	87.2	Confident	93.9	Very high	195 Å²	195	70.9 Å²	70.9	91%	0.911	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.5	-178.7	-58.6	178.9	155.5	0	0	113.9
499	K	90.9	Very high	93.6	Very high	165 Å²	165	73.3 Å²	73.3	72%	0.717	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-31.1	-176.4	-63.1	-176.2	-179.6	179.6	0	112.8	N497	N497-K499 PolarHBondContact O-N 2.91Å; N497-K499 VanDerWaalsContact O-N 3.09Å; N497-K499 PolarHBondContact OD1-N 3.1Å
500	N	90.3	Very high	93.3	Very high	60 Å²	60	72 Å²	72	32%	0.321	37%	0.37	S	S	.	.			trans	-143	66.7	-175.5	-69.8	-56.1	0	0	0	111.2	N497 Y502 A517 G518 Q519	N497-N500 CarbonylContact O-C 3.54Å; N497-N500 VanDerWaalsContact O-C 3.28Å; N497-N500 PolarHBondContact O-N 2.65Å; N497-N500 VanDerWaalsContact O-N 3.12Å; N497-N500 PolarHBondContact OD1-N 3.41Å; N500-Y502 PolarHBondContact O-N 2.88Å; N500-A517 HydrophobicContact CB-CB 4.17Å; N500-G518 WeakPolarHBondContact OD1-CA 3.44Å; N500-Q519 PolarHBondContact OD1-N 3.2Å
501	P	93.9	Very high	93.1	Very high	36 Å²	36	71.7 Å²	71.7	23%	0.234	37%	0.373	C	S	.	.			trans	-74.5	-10.7	-174.5	29.6	-35.3	0	0	0	113.4	V494 L495 N497	V494-P501 CarbonylContact C-O 3.59Å; V494-P501 WeakPolarHBondContact CA-O 3.39Å; L495-P501 PolarHBondContact N-O 3.16Å; L495-P501 WeakPolarHBondContact O-CA 3.17Å; N497-P501 WeakPolarHBondContact O-CA 3.06Å; N497-P501 VanDerWaalsContact O-CD 3.27Å; N497-P501 WeakPolarHBondContact O-CD 3.29Å
502	Y	95.8	Very high	93	Very high	82 Å²	82	70 Å²	70	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.3	176.1	-55.3	-77.2	0	0	0	110.7	N500 A517 G518 K521 A524	N500-Y502 PolarHBondContact O-N 2.88Å; Y502-A517 CarbonylContact O-C 3.48Å; Y502-A517 VanDerWaalsContact O-CA 3.25Å; Y502-A517 WeakPolarHBondContact O-CA 3.42Å; Y502-G518 PolarHBondContact N-O 2.92Å; Y502-G518 PolarHBondContact O-N 3.3Å; Y502-K521 HydrophobicContact CD1-CG 3.88Å; Y502-K521 HydrophobicContact CE1-CG 4.1Å; Y502-K521 HydrophobicContact CG-CG 4.28Å; Y502-A524 VanDerWaalsContact O-CB 3.3Å; Y502-A524 WeakPolarHBondContact O-CB 3.44Å
503	Q	96.1	Very high	93	Very high	56 Å²	56	67.5 Å²	67.5	26%	0.262	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.1	167.6	176.6	178.5	-101.3	0	0	110.1	T492 T493 L495 T515 G516 A517	T492-Q503 CarbonylContact C-O 3.48Å; T492-Q503 WeakPolarHBondContact CA-O 3.41Å; T493-Q503 PolarHBondContact N-O 2.94Å; T493-Q503 PolarHBondContact O-N 3.07Å; T493-Q503 WeakPolarHBondContact OG1-CB 3.25Å; T493-Q503 WeakPolarHBondContact OG1-CG 3.46Å; T493-Q503 PolarHBondContact OG1-NE2 3.45Å; T493-Q503 PolarHBondContact OG1-O 3.4Å; L495-Q503 HydrophobicContact CD1-CB 3.77Å; L495-Q503 HydrophobicContact CD2-CB 4.45Å; L495-Q503 HydrophobicContact CG-CB 3.88Å; Q503-T515 VanDerWaalsContact CD-CG2 3.46Å; Q503-T515 HydrophobicContact CG-CG2 3.51Å; Q503-G516 CarbonylContact C-O 3.54Å; Q503-G516 WeakPolarHBondContact CA-O 3.35Å; Q503-A517 HydrophobicContact CB-CB 4.43Å
504	M	96.7	Very high	92.9	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.7	-179.3	-165.4	76.5	54.8	0	0	109.3	Y490 Q491 T492 T515 G516 A524 R525 A528	Y490-M504 HydrophobicContact CD1-CG 3.93Å; Q491-M504 CarbonylContact O-C 3.56Å; Q491-M504 WeakPolarHBondContact O-CA 3.29Å; T492-M504 HydrophobicContact CG2-CE 4.07Å; T492-M504 WeakPolarHBondContact OG1-CE 3.39Å; T492-M504 PolarHBondContact OG1-SD 3.04Å; T492-M504 VanDerWaalsContact OG1-SD 3.34Å; M504-T515 CarbonylContact O-C 3.46Å; M504-T515 WeakPolarHBondContact O-CA 3.44Å; M504-G516 PolarHBondContact N-O 3.47Å; M504-G516 PolarHBondContact O-N 2.99Å; M504-A524 HydrophobicContact CB-CB 3.99Å; M504-R525 HydrophobicContact CE-CB 4.29Å; M504-R525 HydrophobicContact CG-CB 4.31Å; M504-R525 HydrophobicContact CG-CG 4.45Å; M504-A528 HydrophobicContact CB-CB 3.97Å; M504-A528 HydrophobicContact CG-CB 4.27Å; M504-A528 WeakPolarHBondContact O-CB 3.46Å
505	T	97.2	Very high	93.1	Very high	16 Å²	16	63 Å²	63	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.6	172.4	-58.4	0	0	0	0	109.7	Y490 Q491 F507 P512 G514 T515	Y490-T505 WeakPolarHBondContact CA-O 3.46Å; Q491-T505 PolarHBondContact N-O 3.23Å; Q491-T505 PolarHBondContact O-N 3.15Å; T505-F507 HydrophobicContact CG2-CD2 3.97Å; T505-F507 HydrophobicContact CG2-CE1 4.34Å; T505-F507 HydrophobicContact CG2-CE2 3.43Å; T505-F507 VanDerWaalsContact CG2-CE2 3.43Å; T505-F507 HydrophobicContact CG2-CZ 3.65Å; T505-P512 HydrophobicContact CG2-CB 3.92Å; T505-G514 WeakPolarHBondContact CA-O 3.48Å; T505-T515 WeakPolarHBondContact OG1-CG2 3.19Å; T505-T515 PolarHBondContact OG1-OG1 3.38Å
506	V	97.2	Very high	93.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.9	170.9	177.5	0	0	0	0	109.5	L476 P488 Y490 I508 P512 Y513 G514 A528 A532	L476-V506 HydrophobicContact CD2-CG1 3.87Å; L476-V506 HydrophobicContact CD2-CG2 4.16Å; P488-V506 HydrophobicContact CB-CG1 4.26Å; Y490-V506 HydrophobicContact CD1-CG2 3.94Å; Y490-V506 HydrophobicContact CE1-CG2 3.66Å; V506-I508 HydrophobicContact CG1-CG1 4.3Å; V506-P512 WeakPolarHBondContact O-CA 3.44Å; V506-Y513 PolarHBondContact O-N 3.4Å; V506-G514 PolarHBondContact N-O 3.11Å; V506-A528 HydrophobicContact CG2-CB 3.86Å; V506-A528 WeakPolarHBondContact CG2-O 3.22Å; V506-A532 HydrophobicContact CB-CB 3.9Å; V506-A532 HydrophobicContact CG1-CB 3.82Å; V506-A532 HydrophobicContact CG2-CB 3.99Å
507	F	96.2	Very high	93.5	Very high	43 Å²	43	51.8 Å²	51.8	19%	0.189	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.4	171.3	-66.4	-93.5	0	0	0	111.3	T489 Q491 T505 G510 N511 P512	T489-F507 PolarHBondContact N-O 3.31Å; T489-F507 PolarHBondContact O-N 3.29Å; T489-F507 WeakPolarHBondContact OG1-CB 3.35Å; T489-F507 PolarHBondContact OG1-O 3.41Å; Q491-F507 HydrophobicContact CB-CD2 4.26Å; Q491-F507 HydrophobicContact CB-CE2 3.72Å; Q491-F507 VanDerWaalsContact OE1-CE2 3.3Å; T505-F507 HydrophobicContact CG2-CD2 3.97Å; T505-F507 HydrophobicContact CG2-CE1 4.34Å; T505-F507 HydrophobicContact CG2-CE2 3.43Å; T505-F507 VanDerWaalsContact CG2-CE2 3.43Å; T505-F507 HydrophobicContact CG2-CZ 3.65Å; F507-G510 WeakPolarHBondContact CD1-O 3.42Å; F507-N511 CarbonylContact C-O 3.58Å; F507-N511 VanDerWaalsContact CA-O 3.27Å; F507-N511 WeakPolarHBondContact CA-O 3.39Å; F507-P512 HydrophobicContact CD1-CB 4.03Å; F507-P512 HydrophobicContact CE1-CB 3.78Å; F507-P512 HydrophobicContact CE1-CG 4.29Å; F507-P512 HydrophobicContact CZ-CB 4.38Å
508	I	92.9	Very high	93.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.8	172.3	-51.6	170	0	0	0	106.7	I484 P488 V506 G510 N511 Y513 L536	I484-I508 HydrophobicContact CD1-CD1 4.13Å; I484-I508 HydrophobicContact CD1-CG2 4.26Å; I484-I508 HydrophobicContact CG2-CG2 4.07Å; P488-I508 HydrophobicContact CB-CG1 4.21Å; V506-I508 HydrophobicContact CG1-CG1 4.3Å; I508-G510 PolarHBondContact O-N 3.22Å; I508-G510 VanDerWaalsContact O-N 3.12Å; I508-N511 PolarHBondContact N-O 3.38Å; I508-N511 PolarHBondContact O-N 2.71Å; I508-Y513 HydrophobicContact CB-CD2 3.72Å; I508-Y513 HydrophobicContact CB-CE2 3.66Å; I508-Y513 HydrophobicContact CD1-CD2 3.96Å; I508-Y513 HydrophobicContact CD1-CE2 4.38Å; I508-Y513 HydrophobicContact CD1-CG 4.08Å; I508-Y513 HydrophobicContact CG1-CD2 3.91Å; I508-Y513 HydrophobicContact CG1-CE2 4.32Å; I508-Y513 HydrophobicContact CG1-CG 4.46Å; I508-L536 HydrophobicContact CD1-CD1 3.72Å; I508-L536 HydrophobicContact CD1-CD2 4.44Å
509	N	88.5	Confident	94.1	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	18.3	-170.4	-47.2	-22.6	0	0	0	114.2	R486 N511	R486-N509 WeakPolarHBondContact CD-OD1 3.27Å; R486-N509 PolarHBondContact NH1-ND2 2.96Å; R486-N509 PolarHBondContact NH1-OD1 2.82Å; N509-N511 VanDerWaalsContact C-N 3.31Å
510	G	89.5	Confident	94.2	Very high	56 Å²	56	40.5 Å²	40.5	58%	0.577	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	-8	-172.4	0	0	0	0	0	115	F507 I508	F507-G510 WeakPolarHBondContact CD1-O 3.42Å; I508-G510 PolarHBondContact O-N 3.22Å; I508-G510 VanDerWaalsContact O-N 3.12Å
511	N	92.5	Very high	94.4	Very high	59 Å²	59	41.4 Å²	41.4	32%	0.316	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138.5	174.7	-62.4	-29.3	0	0	0	110.3	F507 I508 N509 Y513	F507-N511 CarbonylContact C-O 3.58Å; F507-N511 VanDerWaalsContact CA-O 3.27Å; F507-N511 WeakPolarHBondContact CA-O 3.39Å; I508-N511 PolarHBondContact N-O 3.38Å; I508-N511 PolarHBondContact O-N 2.71Å; N509-N511 VanDerWaalsContact C-N 3.31Å; N511-Y513 HydrophobicContact CB-CE2 3.93Å; N511-Y513 VanDerWaalsContact O-CD2 3.28Å; N511-Y513 WeakPolarHBondContact O-CD2 3.44Å
512	P	94.5	Very high	94.4	Very high	70 Å²	70	44 Å²	44	46%	0.455	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134	174.9	29.8	-33.1	0	0	0	111.3	T505 V506 F507	T505-P512 HydrophobicContact CG2-CB 3.92Å; V506-P512 WeakPolarHBondContact O-CA 3.44Å; F507-P512 HydrophobicContact CD1-CB 4.03Å; F507-P512 HydrophobicContact CE1-CB 3.78Å; F507-P512 HydrophobicContact CE1-CG 4.29Å; F507-P512 HydrophobicContact CZ-CB 4.38Å
513	Y	94	Very high	94.3	Very high	17 Å²	17	42.4 Å²	42.4	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-18.3	179	-80.9	-95.6	0	0	0	114.3	I369 V506 I508 N511 A532 V535 L536	I369-Y513 HydrophobicContact CD1-CE1 4.18Å; I369-Y513 VanDerWaalsContact CD1-OH 3.3Å; I369-Y513 WeakPolarHBondContact CD1-OH 3.2Å; V506-Y513 PolarHBondContact O-N 3.4Å; I508-Y513 HydrophobicContact CB-CD2 3.72Å; I508-Y513 HydrophobicContact CB-CE2 3.66Å; I508-Y513 HydrophobicContact CD1-CD2 3.96Å; I508-Y513 HydrophobicContact CD1-CE2 4.38Å; I508-Y513 HydrophobicContact CD1-CG 4.08Å; I508-Y513 HydrophobicContact CG1-CD2 3.91Å; I508-Y513 HydrophobicContact CG1-CE2 4.32Å; I508-Y513 HydrophobicContact CG1-CG 4.46Å; N511-Y513 HydrophobicContact CB-CE2 3.93Å; N511-Y513 VanDerWaalsContact O-CD2 3.28Å; N511-Y513 WeakPolarHBondContact O-CD2 3.44Å; Y513-A532 WeakPolarHBondContact O-CA 2.99Å; Y513-V535 HydrophobicContact CD1-CG1 3.91Å; Y513-V535 HydrophobicContact CE1-CG1 4.5Å; Y513-V535 WeakPolarHBondContact O-CG2 3.32Å; Y513-L536 HydrophobicContact CD1-CD2 3.68Å; Y513-L536 HydrophobicContact CD1-CG 3.92Å; Y513-L536 HydrophobicContact CE1-CD2 3.53Å; Y513-L536 HydrophobicContact CE1-CG 4.28Å
514	G	94.4	Very high	94.3	Very high	11 Å²	11	39.8 Å²	39.8	11%	0.113	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	138.1	178.5	0	0	0	0	0	113.4	T505 V506	T505-G514 WeakPolarHBondContact CA-O 3.48Å; V506-G514 PolarHBondContact N-O 3.11Å
515	T	96.6	Very high	94.3	Very high	52 Å²	52	44.6 Å²	44.6	32%	0.319	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.2	-177.7	-55.9	0	0	0	0	110.7	Q503 M504 T505 K531	Q503-T515 VanDerWaalsContact CD-CG2 3.46Å; Q503-T515 HydrophobicContact CG-CG2 3.51Å; M504-T515 CarbonylContact O-C 3.46Å; M504-T515 WeakPolarHBondContact O-CA 3.44Å; T505-T515 WeakPolarHBondContact OG1-CG2 3.19Å; T505-T515 PolarHBondContact OG1-OG1 3.38Å; T515-K531 WeakPolarHBondContact O-CD 3.28Å; T515-K531 WeakPolarHBondContact O-CE 3.38Å; T515-K531 PolarHBondContact O-NZ 3.21Å
516	G	95.6	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.6	-178.1	0	0	0	0	0	112.1	Q503 M504	Q503-G516 CarbonylContact C-O 3.54Å; Q503-G516 WeakPolarHBondContact CA-O 3.35Å; M504-G516 PolarHBondContact N-O 3.47Å; M504-G516 PolarHBondContact O-N 2.99Å
517	A	95.7	Very high	94	Very high	37 Å²	37	49 Å²	49	31%	0.306	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.9	175.3	0	0	0	0	0	110.4	N500 Y502 Q503	N500-A517 HydrophobicContact CB-CB 4.17Å; Y502-A517 CarbonylContact O-C 3.48Å; Y502-A517 VanDerWaalsContact O-CA 3.25Å; Y502-A517 WeakPolarHBondContact O-CA 3.42Å; Q503-A517 HydrophobicContact CB-CB 4.43Å
518	G	93.9	Very high	94.1	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	159.7	-177.4	0	0	0	0	0	113.9	N500 Y502 S520	N500-G518 WeakPolarHBondContact OD1-CA 3.44Å; Y502-G518 PolarHBondContact N-O 2.92Å; Y502-G518 PolarHBondContact O-N 3.3Å; G518-S520 PolarHBondContact O-N 3.08Å
519	Q	93.5	Very high	94.2	Very high	149 Å²	149	46.9 Å²	46.9	70%	0.696	26%	0.261	S	S	*	.	S	Bend	trans	-59.9	-12.1	173	71.3	-174.7	37.4	0	0	114.6	N500	N500-Q519 PolarHBondContact OD1-N 3.2Å
520	S	94.1	Very high	94.5	Very high	39 Å²	39	46.5 Å²	46.5	27%	0.273	26%	0.255	S	S	.	.	S	Bend	trans	-148.3	158	175.2	74.5	0	0	0	0	111.7	G518 K522 C523 A524	G518-S520 PolarHBondContact O-N 3.08Å; S520-K522 PolarHBondContact O-N 3.48Å; S520-K522 VanDerWaalsContact O-N 3.11Å; S520-K522 PolarHBondContact OG-N 3.16Å; S520-C523 PolarHBondContact O-N 3.46Å; S520-C523 PolarHBondContact OG-N 3.03Å; S520-C523 PolarHBondContact OG-SG 2.93Å; S520-A524 PolarHBondContact O-N 3.02Å
521	K	93.3	Very high	94.7	Very high	80 Å²	80	47.3 Å²	47.3	35%	0.348	24%	0.243	S	C	.	.	H	α-helix	trans	-48.9	-36.9	171.1	-57.5	176.5	-167.2	164.4	0	112	E252 Y502 R525	E252-K521 IonicContact OE1-NZ 3.19Å; E252-K521 IonicContact OE2-NZ 3.59Å; E252-K521 PolarHBondContact OE2-NZ 3.1Å; E252-K521 VanDerWaalsContact OE2-NZ 3.11Å; Y502-K521 HydrophobicContact CD1-CG 3.88Å; Y502-K521 HydrophobicContact CE1-CG 4.1Å; Y502-K521 HydrophobicContact CG-CG 4.28Å; K521-R525 VanDerWaalsContact O-CB 3.27Å; K521-R525 WeakPolarHBondContact O-CB 3.47Å; K521-R525 PolarHBondContact O-N 3.15Å
522	K	94	Very high	94.8	Very high	91 Å²	91	44.5 Å²	44.5	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-47.5	179.2	-162.8	168.5	-175.6	169.3	0	111.1	D250 S520 L526	D250-K522 IonicContact OD1-NZ 3.04Å; D250-K522 PolarHBondContact OD1-NZ 3.35Å; D250-K522 IonicContact OD2-NZ 2.65Å; S520-K522 PolarHBondContact O-N 3.48Å; S520-K522 VanDerWaalsContact O-N 3.11Å; S520-K522 PolarHBondContact OG-N 3.16Å; K522-L526 WeakPolarHBondContact O-CG 3.43Å; K522-L526 PolarHBondContact O-N 3.15Å; K522-L526 VanDerWaalsContact O-N 3.16Å
523	C	94.1	Very high	94.8	Very high	48 Å²	48	41.2 Å²	41.2	32%	0.324	21%	0.206	S	C	.	.	H	α-helix	trans	-66	-47.5	176.7	-59.1	0	0	0	0	112	S520 R525 L526 E527	S520-C523 PolarHBondContact O-N 3.46Å; S520-C523 PolarHBondContact OG-N 3.03Å; S520-C523 PolarHBondContact OG-SG 2.93Å; C523-R525 VanDerWaalsContact C-N 3.31Å; C523-R525 PolarHBondContact O-N 3.46Å; C523-L526 PolarHBondContact O-N 3.26Å; C523-E527 PolarHBondContact O-N 3.03Å
524	A	96.1	Very high	94.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-41.8	179	0	0	0	0	0	111.9	Y502 M504 S520 E527 A528	Y502-A524 VanDerWaalsContact O-CB 3.3Å; Y502-A524 WeakPolarHBondContact O-CB 3.44Å; M504-A524 HydrophobicContact CB-CB 3.99Å; S520-A524 PolarHBondContact O-N 3.02Å; A524-E527 PolarHBondContact O-N 2.76Å; A524-A528 VanDerWaalsContact O-CB 3.25Å; A524-A528 WeakPolarHBondContact O-CB 3.38Å; A524-A528 PolarHBondContact O-N 3.34Å
525	R	96.1	Very high	94.5	Very high	102 Å²	102	45.3 Å²	45.3	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-40.3	176.3	-164.9	-172.4	-66.9	147.2	-1.3	113	V473 Y490 M504 K521 C523 A529	V473-R525 HydrophobicContact CG2-CB 4.48Å; V473-R525 HydrophobicContact CG2-CG 3.83Å; Y490-R525 HydrophobicContact CD1-CG 3.71Å; Y490-R525 HydrophobicContact CE1-CG 3.59Å; Y490-R525 HydrophobicContact CG-CG 4.4Å; M504-R525 HydrophobicContact CE-CB 4.29Å; M504-R525 HydrophobicContact CG-CB 4.31Å; M504-R525 HydrophobicContact CG-CG 4.45Å; K521-R525 VanDerWaalsContact O-CB 3.27Å; K521-R525 WeakPolarHBondContact O-CB 3.47Å; K521-R525 PolarHBondContact O-N 3.15Å; C523-R525 VanDerWaalsContact C-N 3.31Å; C523-R525 PolarHBondContact O-N 3.46Å; R525-A529 WeakPolarHBondContact O-CB 3.3Å; R525-A529 PolarHBondContact O-N 3.07Å
526	L	95.1	Very high	94.2	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.277	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-46.1	175.6	-73.8	164.3	0	0	0	111.7	V473 K522 C523 A529 R530	V473-L526 HydrophobicContact CG2-CD2 4.1Å; K522-L526 WeakPolarHBondContact O-CG 3.43Å; K522-L526 PolarHBondContact O-N 3.15Å; K522-L526 VanDerWaalsContact O-N 3.16Å; C523-L526 PolarHBondContact O-N 3.26Å; L526-A529 PolarHBondContact O-N 3.23Å; L526-R530 PolarHBondContact O-N 3.49Å
527	E	94.2	Very high	93.9	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-68.9	-37.1	-179.8	176.6	59.9	-173.6	0	0	112.3	C523 A524 R530 K531	C523-E527 PolarHBondContact O-N 3.03Å; A524-E527 PolarHBondContact O-N 2.76Å; E527-R530 PolarHBondContact O-N 2.92Å; E527-R530 IonicContact OE1-CZ 3.13Å; E527-R530 IonicContact OE1-NE 2.66Å; E527-R530 IonicContact OE1-NH2 3.21Å; E527-R530 PolarHBondContact OE1-NH2 3.26Å; E527-R530 IonicContact OE2-CZ 2.55Å; E527-R530 IonicContact OE2-NE 2.84Å; E527-R530 PolarHBondContact OE2-NE 2.96Å; E527-R530 IonicContact OE2-NH2 3.35Å; E527-R530 PolarHBondContact OE2-NH2 2.88Å; E527-K531 PolarHBondContact O-N 3.21Å; E527-K531 VanDerWaalsContact O-N 3.11Å; E527-K531 WeakPolarHBondContact OE1-CE 3.34Å; E527-K531 IonicContact OE1-NZ 2.9Å
528	A	96.8	Very high	93.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-41.2	174.3	0	0	0	0	0	111.4	M504 V506 A524 K531 A532	M504-A528 HydrophobicContact CB-CB 3.97Å; M504-A528 HydrophobicContact CG-CB 4.27Å; M504-A528 WeakPolarHBondContact O-CB 3.46Å; V506-A528 HydrophobicContact CG2-CB 3.86Å; V506-A528 WeakPolarHBondContact CG2-O 3.22Å; A524-A528 VanDerWaalsContact O-CB 3.25Å; A524-A528 WeakPolarHBondContact O-CB 3.38Å; A524-A528 PolarHBondContact O-N 3.34Å; A528-K531 PolarHBondContact O-N 2.71Å; A528-A532 WeakPolarHBondContact O-CB 3.39Å; A528-A532 PolarHBondContact O-N 2.82Å
529	A	96.2	Very high	92.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-36.5	175.2	0	0	0	0	0	112.9	V473 L476 R525 L526 A532 L533	V473-A529 HydrophobicContact CB-CB 4.49Å; V473-A529 HydrophobicContact CG2-CB 3.84Å; L476-A529 HydrophobicContact CB-CB 4.36Å; L476-A529 HydrophobicContact CD2-CB 3.8Å; R525-A529 WeakPolarHBondContact O-CB 3.3Å; R525-A529 PolarHBondContact O-N 3.07Å; L526-A529 PolarHBondContact O-N 3.23Å; A529-A532 PolarHBondContact O-N 3.3Å; A529-L533 WeakPolarHBondContact O-CG 3.35Å; A529-L533 PolarHBondContact O-N 2.88Å
530	R	94.2	Very high	92.4	Very high	54 Å²	54	41.6 Å²	41.6	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-54.7	172.1	-174.8	-170.9	66.8	83.2	-4.3	110.9	Y472 L526 E527 A532 L533 E534 F540	Y472-R530 HydrophobicContact CD2-CB 3.9Å; Y472-R530 HydrophobicContact CD2-CG 4.36Å; Y472-R530 HydrophobicContact CE2-CB 4.28Å; Y472-R530 HydrophobicContact CE2-CG 4.27Å; Y472-R530 HydrophobicContact CG-CB 4.06Å; L526-R530 PolarHBondContact O-N 3.49Å; E527-R530 PolarHBondContact O-N 2.92Å; E527-R530 IonicContact OE1-CZ 3.13Å; E527-R530 IonicContact OE1-NE 2.66Å; E527-R530 IonicContact OE1-NH2 3.21Å; E527-R530 PolarHBondContact OE1-NH2 3.26Å; E527-R530 IonicContact OE2-CZ 2.55Å; E527-R530 IonicContact OE2-NE 2.84Å; E527-R530 PolarHBondContact OE2-NE 2.96Å; E527-R530 IonicContact OE2-NH2 3.35Å; E527-R530 PolarHBondContact OE2-NH2 2.88Å; R530-A532 VanDerWaalsContact C-N 3.33Å; R530-A532 PolarHBondContact O-N 3.46Å; R530-L533 WeakPolarHBondContact O-CB 3.44Å; R530-L533 PolarHBondContact O-N 2.83Å; R530-L533 VanDerWaalsContact O-N 3.16Å; R530-E534 WeakPolarHBondContact CG-OE1 3.18Å; R530-E534 IonicContact CZ-OE1 3.58Å; R530-E534 IonicContact NH1-OE1 3.79Å; R530-E534 PolarHBondContact NH1-OE1 3.36Å; R530-E534 IonicContact NH1-OE2 2.7Å; R530-E534 PolarHBondContact NH1-OE2 2.99Å; R530-E534 WeakPolarHBondContact O-CG 3.26Å; R530-E534 PolarHBondContact O-N 2.69Å; R530-E534 VanDerWaalsContact O-N 3.1Å; R530-F540 HydrophobicContact CG-CE1 4.48Å
531	K	94	Very high	91.7	Very high	73 Å²	73	44.6 Å²	44.6	32%	0.317	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-38.9	179.9	-67.2	179.9	-170.4	-177.6	0	112.7	T515 E527 A528 L533 E534 V535	T515-K531 WeakPolarHBondContact O-CD 3.28Å; T515-K531 WeakPolarHBondContact O-CE 3.38Å; T515-K531 PolarHBondContact O-NZ 3.21Å; E527-K531 PolarHBondContact O-N 3.21Å; E527-K531 VanDerWaalsContact O-N 3.11Å; E527-K531 WeakPolarHBondContact OE1-CE 3.34Å; E527-K531 IonicContact OE1-NZ 2.9Å; A528-K531 PolarHBondContact O-N 2.71Å; K531-L533 VanDerWaalsContact C-N 3.35Å; K531-L533 PolarHBondContact O-N 2.82Å; K531-E534 PolarHBondContact O-N 3.24Å; K531-V535 PolarHBondContact O-N 2.9Å; K531-V535 VanDerWaalsContact O-N 3.08Å
532	A	95.2	Very high	90.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-37.8	175.6	0	0	0	0	0	112.7	L476 V506 Y513 A528 A529 R530 E534 V535 L536	L476-A532 HydrophobicContact CD1-CB 4.32Å; L476-A532 HydrophobicContact CD2-CB 4.07Å; V506-A532 HydrophobicContact CB-CB 3.9Å; V506-A532 HydrophobicContact CG1-CB 3.82Å; V506-A532 HydrophobicContact CG2-CB 3.99Å; Y513-A532 WeakPolarHBondContact O-CA 2.99Å; A528-A532 WeakPolarHBondContact O-CB 3.39Å; A528-A532 PolarHBondContact O-N 2.82Å; A529-A532 PolarHBondContact O-N 3.3Å; R530-A532 VanDerWaalsContact C-N 3.33Å; R530-A532 PolarHBondContact O-N 3.46Å; A532-E534 VanDerWaalsContact C-N 3.33Å; A532-V535 PolarHBondContact O-N 3.24Å; A532-L536 WeakPolarHBondContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CD1 3.48Å; A532-L536 WeakPolarHBondContact O-CG 3.37Å; A532-L536 PolarHBondContact O-N 3Å
533	L	93	Very high	89.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-35.2	173	-77.6	165.2	0	0	0	112.5	Y472 I475 L476 A529 R530 K531 L536 I537 F540	Y472-L533 HydrophobicContact CD1-CD1 4.43Å; I475-L533 HydrophobicContact CB-CD1 4.03Å; I475-L533 HydrophobicContact CG2-CD1 3.82Å; I475-L533 HydrophobicContact CG2-CD2 4.1Å; L476-L533 HydrophobicContact CB-CD1 4.13Å; L476-L533 HydrophobicContact CB-CD2 4.23Å; L476-L533 HydrophobicContact CB-CG 4.03Å; L476-L533 HydrophobicContact CD1-CD2 4.13Å; L476-L533 HydrophobicContact CD1-CG 4.16Å; A529-L533 WeakPolarHBondContact O-CG 3.35Å; A529-L533 PolarHBondContact O-N 2.88Å; R530-L533 WeakPolarHBondContact O-CB 3.44Å; R530-L533 PolarHBondContact O-N 2.83Å; R530-L533 VanDerWaalsContact O-N 3.16Å; K531-L533 VanDerWaalsContact C-N 3.35Å; K531-L533 PolarHBondContact O-N 2.82Å; L533-L536 PolarHBondContact O-N 3.41Å; L533-I537 HydrophobicContact CD2-CD1 3.99Å; L533-I537 WeakPolarHBondContact O-CB 3.26Å; L533-I537 PolarHBondContact O-N 3.36Å; L533-F540 HydrophobicContact CB-CD1 4.21Å; L533-F540 HydrophobicContact CB-CD2 4.05Å; L533-F540 HydrophobicContact CB-CE1 3.91Å; L533-F540 HydrophobicContact CB-CE2 3.76Å; L533-F540 HydrophobicContact CB-CG 4.26Å; L533-F540 HydrophobicContact CB-CZ 3.69Å; L533-F540 HydrophobicContact CD1-CE1 4.42Å; L533-F540 HydrophobicContact CD1-CE2 3.81Å; L533-F540 HydrophobicContact CD1-CZ 3.56Å; L533-F540 HydrophobicContact CD2-CE2 4.31Å; L533-F540 HydrophobicContact CG-CE2 4.17Å; L533-F540 HydrophobicContact CG-CZ 4.18Å
534	E	91.6	Very high	88.4	Confident	28 Å²	28	42.7 Å²	42.7	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-69.3	-35.6	177.5	-68.4	171.7	-169.2	0	0	112.6	R530 K531 A532 F540 Q541	R530-E534 WeakPolarHBondContact CG-OE1 3.18Å; R530-E534 IonicContact CZ-OE1 3.58Å; R530-E534 IonicContact NH1-OE1 3.79Å; R530-E534 PolarHBondContact NH1-OE1 3.36Å; R530-E534 IonicContact NH1-OE2 2.7Å; R530-E534 PolarHBondContact NH1-OE2 2.99Å; R530-E534 WeakPolarHBondContact O-CG 3.26Å; R530-E534 PolarHBondContact O-N 2.69Å; R530-E534 VanDerWaalsContact O-N 3.1Å; K531-E534 PolarHBondContact O-N 3.24Å; A532-E534 VanDerWaalsContact C-N 3.33Å; E534-F540 HydrophobicContact CG-CB 4.35Å; E534-F540 HydrophobicContact CG-CD1 3.54Å; E534-F540 HydrophobicContact CG-CE1 4.26Å; E534-F540 HydrophobicContact CG-CG 4.33Å; E534-Q541 HydrophobicContact CB-CG 4.24Å; E534-Q541 VanDerWaalsContact CD-CG 3.49Å; E534-Q541 HydrophobicContact CG-CG 3.63Å; E534-Q541 PolarHBondContact OE2-NE2 3.03Å
535	V	91.7	Very high	86.5	Confident	87 Å²	87	46.3 Å²	46.3	53%	0.527	23%	0.234	S	C	.	.	H	α-helix	trans	-72.1	-35	172	175.3	0	0	0	0	112	Y513 K531 A532	Y513-V535 HydrophobicContact CD1-CG1 3.91Å; Y513-V535 HydrophobicContact CE1-CG1 4.5Å; Y513-V535 WeakPolarHBondContact O-CG2 3.32Å; K531-V535 PolarHBondContact O-N 2.9Å; K531-V535 VanDerWaalsContact O-N 3.08Å; A532-V535 PolarHBondContact O-N 3.24Å
536	L	90.8	Very high	84.4	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.063	25%	0.25	C	C	.	.	H	α-helix	trans	-80.6	-20.7	-179.2	-73.4	170.3	0	0	0	114.6	I369 L476 Y479 I484 I508 Y513 A532 L533	I369-L536 HydrophobicContact CD1-CD2 3.87Å; L476-L536 HydrophobicContact CD1-CD1 3.64Å; Y479-L536 HydrophobicContact CD1-CD1 4.1Å; Y479-L536 HydrophobicContact CE1-CB 3.87Å; Y479-L536 HydrophobicContact CE1-CD1 4.03Å; Y479-L536 HydrophobicContact CE1-CD2 4.43Å; Y479-L536 HydrophobicContact CE1-CG 4.35Å; Y479-L536 PolarHBondContact OH-O 3.06Å; I484-L536 HydrophobicContact CD1-CD1 4.24Å; I484-L536 HydrophobicContact CD1-CD2 3.89Å; I508-L536 HydrophobicContact CD1-CD1 3.72Å; I508-L536 HydrophobicContact CD1-CD2 4.44Å; Y513-L536 HydrophobicContact CD1-CD2 3.68Å; Y513-L536 HydrophobicContact CD1-CG 3.92Å; Y513-L536 HydrophobicContact CE1-CD2 3.53Å; Y513-L536 HydrophobicContact CE1-CG 4.28Å; A532-L536 WeakPolarHBondContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CD1 3.48Å; A532-L536 WeakPolarHBondContact O-CG 3.37Å; A532-L536 PolarHBondContact O-N 3Å; L533-L536 PolarHBondContact O-N 3.41Å
537	I	88.8	Confident	82.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.261	C	S	.	.			trans	-143.3	96.1	-171.6	-50.4	170.1	0	0	0	109.1	V376 I444 Y479 L533 D539 F540	V376-I537 HydrophobicContact CG2-CG2 3.47Å; V376-I537 VanDerWaalsContact CG2-CG2 3.47Å; I444-I537 HydrophobicContact CD1-CD1 3.82Å; I444-I537 HydrophobicContact CG1-CD1 4.36Å; I444-I537 HydrophobicContact CG2-CD1 3.94Å; Y479-I537 HydrophobicContact CD2-CD1 3.8Å; Y479-I537 HydrophobicContact CD2-CG1 4.45Å; Y479-I537 HydrophobicContact CE1-CD1 4.48Å; Y479-I537 HydrophobicContact CE1-CG1 4.28Å; Y479-I537 HydrophobicContact CE2-CD1 3.56Å; Y479-I537 HydrophobicContact CE2-CG1 3.75Å; Y479-I537 HydrophobicContact CG-CD1 4.35Å; L533-I537 HydrophobicContact CD2-CD1 3.99Å; L533-I537 WeakPolarHBondContact O-CB 3.26Å; L533-I537 PolarHBondContact O-N 3.36Å; I537-D539 PolarHBondContact O-N 3.31Å; I537-F540 HydrophobicContact CB-CB 4.18Å; I537-F540 HydrophobicContact CD1-CD2 4.3Å; I537-F540 HydrophobicContact CG2-CB 4.37Å; I537-F540 WeakPolarHBondContact O-CB 3.45Å; I537-F540 PolarHBondContact O-N 3.28Å
538	P	83.8	Confident	79.7	Confident	109 Å²	109	52.2 Å²	52.2	71%	0.708	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.2	-173.5	-28.7	36.2	0	0	0	115.8
539	D	81.3	Confident	77.2	Confident	42 Å²	42	60.4 Å²	60.4	23%	0.225	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.3	178	-72.2	-35.4	0	0	0	114.1	V376 I537 Q541 K542	V376-D539 HydrophobicContact CB-CB 4.33Å; V376-D539 HydrophobicContact CG2-CB 4.23Å; I537-D539 PolarHBondContact O-N 3.31Å; D539-Q541 PolarHBondContact O-N 2.89Å; D539-K542 HydrophobicContact CB-CD 4.4Å; D539-K542 WeakPolarHBondContact O-CB 3.38Å; D539-K542 PolarHBondContact O-N 3.46Å; D539-K542 WeakPolarHBondContact OD1-CE 3.21Å; D539-K542 IonicContact OD1-NZ 2.59Å; D539-K542 PolarHBondContact OD1-NZ 2.84Å
540	F	85.2	Confident	74.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-60.7	-44.4	-170.9	-167.6	-94.4	0	0	0	113.3	I444 M467 Y472 R530 L533 E534 I537 K542 I543 V544	I444-F540 HydrophobicContact CD1-CE2 4.36Å; M467-F540 HydrophobicContact CE-CD2 4.17Å; M467-F540 HydrophobicContact CE-CE2 3.45Å; M467-F540 VanDerWaalsContact CE-CE2 3.45Å; M467-F540 HydrophobicContact CE-CZ 3.84Å; Y472-F540 HydrophobicContact CD1-CE1 4.38Å; Y472-F540 AromaticContact CD1-CZ 3.96Å; Y472-F540 HydrophobicContact CD1-CZ 3.96Å; Y472-F540 HydrophobicContact CE1-CE1 4.28Å; Y472-F540 HydrophobicContact CE1-CZ 4.09Å; R530-F540 HydrophobicContact CG-CE1 4.48Å; L533-F540 HydrophobicContact CB-CD1 4.21Å; L533-F540 HydrophobicContact CB-CD2 4.05Å; L533-F540 HydrophobicContact CB-CE1 3.91Å; L533-F540 HydrophobicContact CB-CE2 3.76Å; L533-F540 HydrophobicContact CB-CG 4.26Å; L533-F540 HydrophobicContact CB-CZ 3.69Å; L533-F540 HydrophobicContact CD1-CE1 4.42Å; L533-F540 HydrophobicContact CD1-CE2 3.81Å; L533-F540 HydrophobicContact CD1-CZ 3.56Å; L533-F540 HydrophobicContact CD2-CE2 4.31Å; L533-F540 HydrophobicContact CG-CE2 4.17Å; L533-F540 HydrophobicContact CG-CZ 4.18Å; E534-F540 HydrophobicContact CG-CB 4.35Å; E534-F540 HydrophobicContact CG-CD1 3.54Å; E534-F540 HydrophobicContact CG-CE1 4.26Å; E534-F540 HydrophobicContact CG-CG 4.33Å; I537-F540 HydrophobicContact CB-CB 4.18Å; I537-F540 HydrophobicContact CD1-CD2 4.3Å; I537-F540 HydrophobicContact CG2-CB 4.37Å; I537-F540 WeakPolarHBondContact O-CB 3.45Å; I537-F540 PolarHBondContact O-N 3.28Å; F540-K542 VanDerWaalsContact C-N 3.29Å; F540-K542 PolarHBondContact O-N 3.33Å; F540-I543 PolarHBondContact O-N 3.45Å; F540-V544 HydrophobicContact CD1-CB 4.23Å; F540-V544 HydrophobicContact CD1-CG2 3.88Å; F540-V544 HydrophobicContact CE1-CB 4.11Å; F540-V544 HydrophobicContact CE1-CG1 4.15Å; F540-V544 HydrophobicContact CE1-CG2 3.65Å; F540-V544 HydrophobicContact CE2-CG2 4.31Å; F540-V544 HydrophobicContact CG-CG2 4.35Å; F540-V544 HydrophobicContact CZ-CG2 3.87Å; F540-V544 WeakPolarHBondContact O-CG2 3.11Å; F540-V544 PolarHBondContact O-N 2.87Å
541	Q	80.8	Confident	72.4	Confident	102 Å²	102	71 Å²	71	48%	0.477	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-37.4	-179.4	-69.9	-174.9	-16.6	0	0	112.6	E534 D539 I543 V544 C545	E534-Q541 HydrophobicContact CB-CG 4.24Å; E534-Q541 VanDerWaalsContact CD-CG 3.49Å; E534-Q541 HydrophobicContact CG-CG 3.63Å; E534-Q541 PolarHBondContact OE2-NE2 3.03Å; D539-Q541 PolarHBondContact O-N 2.89Å; Q541-I543 PolarHBondContact O-N 3.45Å; Q541-V544 PolarHBondContact O-N 3.36Å; Q541-C545 VanDerWaalsContact O-CB 3.3Å; Q541-C545 WeakPolarHBondContact O-CB 3.31Å; Q541-C545 PolarHBondContact O-N 3.08Å; Q541-C545 PolarHBondContact O-SG 3.13Å; Q541-C545 VanDerWaalsContact O-SG 3.41Å
542	K	73.8	Confident	70	Confident	141 Å²	141	69.8 Å²	69.8	61%	0.613	39%	0.389	S	S	*	.	H	α-helix	trans	-57	-24	-176.8	-60.9	176.7	178.7	171	0	113.9	D539 F540	D539-K542 HydrophobicContact CB-CD 4.4Å; D539-K542 WeakPolarHBondContact O-CB 3.38Å; D539-K542 PolarHBondContact O-N 3.46Å; D539-K542 WeakPolarHBondContact OD1-CE 3.21Å; D539-K542 IonicContact OD1-NZ 2.59Å; D539-K542 PolarHBondContact OD1-NZ 2.84Å; F540-K542 VanDerWaalsContact C-N 3.29Å; F540-K542 PolarHBondContact O-N 3.33Å
543	I	69.7	Low	67.8	Low	24 Å²	24	74.9 Å²	74.9	12%	0.123	42%	0.423	C	S	.	.	H	α-helix	trans	-118.2	-16.9	-172.4	-76.4	156	0	0	0	111.9	V376 F377 K442 F540 Q541	V376-I543 HydrophobicContact CB-CD1 3.86Å; V376-I543 HydrophobicContact CG1-CB 4.26Å; V376-I543 HydrophobicContact CG1-CD1 3.79Å; V376-I543 HydrophobicContact CG1-CG2 4.08Å; V376-I543 VanDerWaalsContact O-CD1 3.23Å; V376-I543 WeakPolarHBondContact O-CD1 3.45Å; F377-I543 VanDerWaalsContact CA-CD1 3.44Å; K442-I543 HydrophobicContact CB-CG2 3.89Å; K442-I543 HydrophobicContact CD-CG2 3.58Å; K442-I543 WeakPolarHBondContact CE-O 3.35Å; K442-I543 HydrophobicContact CG-CG2 3.64Å; K442-I543 PolarHBondContact NZ-O 2.95Å; F540-I543 PolarHBondContact O-N 3.45Å; Q541-I543 PolarHBondContact O-N 3.45Å
544	V	68.3	Low	66.1	Low	13 Å²	13	77.8 Å²	77.8	8%	0.079	44%	0.44	C	S	.	.	H	α-helix	trans	-99.7	-37.4	179.6	176.2	0	0	0	0	112.5	M467 Y472 F540 Q541 N546 D547	M467-V544 HydrophobicContact CE-CG2 3.66Å; Y472-V544 HydrophobicContact CE1-CG1 3.88Å; Y472-V544 VanDerWaalsContact OH-CG1 3.26Å; Y472-V544 WeakPolarHBondContact OH-CG1 3.14Å; F540-V544 HydrophobicContact CD1-CB 4.23Å; F540-V544 HydrophobicContact CD1-CG2 3.88Å; F540-V544 HydrophobicContact CE1-CB 4.11Å; F540-V544 HydrophobicContact CE1-CG1 4.15Å; F540-V544 HydrophobicContact CE1-CG2 3.65Å; F540-V544 HydrophobicContact CE2-CG2 4.31Å; F540-V544 HydrophobicContact CG-CG2 4.35Å; F540-V544 HydrophobicContact CZ-CG2 3.87Å; F540-V544 WeakPolarHBondContact O-CG2 3.11Å; F540-V544 PolarHBondContact O-N 2.87Å; Q541-V544 PolarHBondContact O-N 3.36Å; V544-N546 VanDerWaalsContact C-N 3.26Å; V544-N546 PolarHBondContact O-N 3.31Å; V544-D547 PolarHBondContact O-N 2.86Å
545	C	56.3	Low	64.6	Low	76 Å²	76	80.6 Å²	80.6	51%	0.514	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.7	-172.4	-63.8	0	0	0	0	115	Q541	Q541-C545 VanDerWaalsContact O-CB 3.3Å; Q541-C545 WeakPolarHBondContact O-CB 3.31Å; Q541-C545 PolarHBondContact O-N 3.08Å; Q541-C545 PolarHBondContact O-SG 3.13Å; Q541-C545 VanDerWaalsContact O-SG 3.41Å
546	N	51.8	Low	63.3	Low	135 Å²	135	77 Å²	77	72%	0.722	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-17	178.8	-69.7	6.4	0	0	0	113.8	V544	V544-N546 VanDerWaalsContact C-N 3.26Å; V544-N546 PolarHBondContact O-N 3.31Å
547	D	51.3	Low	62.3	Low	95 Å²	95	77.5 Å²	77.5	51%	0.508	44%	0.442	S	S	.	.	S	Bend	trans	-109.1	92.6	179.2	-72.3	-45.9	0	0	0	110.9	K442 V544 H549	K442-D547 IonicContact NZ-OD2 3.47Å; K442-D547 PolarHBondContact NZ-OD2 3.47Å; V544-D547 PolarHBondContact O-N 2.86Å; D547-H549 PolarHBondContact O-N 3.33Å; D547-H549 VanDerWaalsContact O-N 3.09Å
548	S	39.8	Very low	61.5	Low	104 Å²	104	82.5 Å²	82.5	73%	0.727	47%	0.469	S	S	*	.			trans	-67.5	105.6	174.5	53.5	0	0	0	0	111.5
549	H	44.6	Very low	60.7	Low	172 Å²	172	82 Å²	82	80%	0.796	45%	0.453	S	S	*	.			trans	61.3	48	162.1	-57.7	-73.4	0	0	0	118.2	D547 T551	D547-H549 PolarHBondContact O-N 3.33Å; D547-H549 VanDerWaalsContact O-N 3.09Å; H549-T551 PolarHBondContact O-N 2.84Å
550	Q	44.8	Very low	60.4	Low	154 Å²	154	80.3 Å²	80.3	72%	0.72	44%	0.444	S	S	*	.			trans	-92.9	75.8	154.8	-67.7	-159.5	28.5	0	0	111.6
551	T	44.2	Very low	60.2	Low	124 Å²	124	81.2 Å²	81.2	76%	0.761	45%	0.449	S	S	*	.			trans	-87.8	11.8	163.8	50.5	0	0	0	0	112.8	H549	H549-T551 PolarHBondContact O-N 2.84Å
552	G	43.5	Very low	60.1	Low	46 Å²	46	81.5 Å²	81.5	47%	0.474	45%	0.45	S	S	.	.	S	Bend	trans	-77.5	171.8	168.3	0	0	0	0	0	112.2	V554	G552-V554 PolarHBondContact O-N 2.62Å
553	P	49.4	Very low	60.4	Low	108 Å²	108	77.3 Å²	77.3	70%	0.701	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-61.7	126.1	167.2	28.3	-33.1	0	0	0	108.9	V555	P553-V555 PolarHBondContact O-N 2.92Å; P553-V555 VanDerWaalsContact O-N 3.11Å
554	V	56.7	Low	61.1	Low	60 Å²	60	76.3 Å²	76.3	36%	0.364	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-58.3	118.7	177.1	-179.7	0	0	0	0	108.3	G552 A556	G552-V554 PolarHBondContact O-N 2.62Å; V554-A556 PolarHBondContact O-N 3.2Å
555	V	61.1	Low	62	Low	88 Å²	88	78.9 Å²	78.9	53%	0.533	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-64.9	123	174.2	-179.1	0	0	0	0	107.5	P553 S557	P553-V555 PolarHBondContact O-N 2.92Å; P553-V555 VanDerWaalsContact O-N 3.11Å; V555-S557 PolarHBondContact O-N 2.79Å
556	A	63.8	Low	63.3	Low	10 Å²	10	80.5 Å²	80.5	8%	0.083	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-62	123.6	178.1	0	0	0	0	0	108.7	V554 M561 L583	V554-A556 PolarHBondContact O-N 3.2Å; A556-M561 HydrophobicContact CB-CG 3.94Å; A556-M561 HydrophobicContact CB-SD 4.48Å; A556-L583 HydrophobicContact CB-CD2 3.5Å
557	S	68.7	Low	65	Low	23 Å²	23	74.6 Å²	74.6	16%	0.161	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-66.7	150.2	175.2	74.8	0	0	0	0	109.9	V555 R559 D560 M561	V555-S557 PolarHBondContact O-N 2.79Å; S557-R559 PolarHBondContact O-N 3.04Å; S557-R559 VanDerWaalsContact O-N 3.08Å; S557-D560 WeakPolarHBondContact CB-OD2 3.49Å; S557-D560 PolarHBondContact N-OD2 3.09Å; S557-D560 WeakPolarHBondContact O-CA 3.41Å; S557-D560 WeakPolarHBondContact O-CB 3.28Å; S557-D560 PolarHBondContact O-N 2.82Å; S557-D560 PolarHBondContact OG-N 3Å; S557-D560 PolarHBondContact OG-OD2 2.79Å; S557-M561 PolarHBondContact O-N 3.04Å
558	D	71.9	Confident	66.9	Low	106 Å²	106	72.7 Å²	72.7	57%	0.567	42%	0.417	S	S	*	.	H	α-helix	trans	-55.3	-32.6	178.3	-70.2	-61.7	0	0	0	112.3	M561 Q562	D558-M561 PolarHBondContact O-N 3.19Å; D558-M561 WeakPolarHBondContact OD1-CE 3.22Å; D558-Q562 WeakPolarHBondContact O-CB 3.39Å; D558-Q562 WeakPolarHBondContact O-CG 3.36Å; D558-Q562 PolarHBondContact O-N 2.67Å
559	R	68.4	Low	69.5	Low	99 Å²	99	67.9 Å²	67.9	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-40.1	173.4	-61.6	-176	-179.7	176.1	-4.5	112.4	D429 E439 S557 M561 Q562 L563	D429-R559 IonicContact OD2-CZ 2.61Å; D429-R559 IonicContact OD2-NH1 2.94Å; D429-R559 PolarHBondContact OD2-NH1 3.08Å; D429-R559 IonicContact OD2-NH2 3.25Å; D429-R559 PolarHBondContact OD2-NH2 2.84Å; E439-R559 IonicContact OE1-NH1 3.79Å; E439-R559 PolarHBondContact OE1-NH1 2.98Å; E439-R559 VanDerWaalsContact OE1-NH1 3.13Å; E439-R559 WeakPolarHBondContact OE2-CD 3.17Å; E439-R559 IonicContact OE2-CZ 2.82Å; E439-R559 IonicContact OE2-NE 3.02Å; E439-R559 IonicContact OE2-NH1 3.77Å; E439-R559 PolarHBondContact OE2-NH1 3.16Å; S557-R559 PolarHBondContact O-N 3.04Å; S557-R559 VanDerWaalsContact O-N 3.08Å; R559-M561 VanDerWaalsContact C-N 3.33Å; R559-Q562 PolarHBondContact O-N 2.83Å; R559-L563 PolarHBondContact O-N 3.27Å
560	D	75.1	Confident	71.8	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-32.9	174.9	-62.8	-52.7	0	0	0	111.8	S438 E439 S557 F564 M581	S438-D560 WeakPolarHBondContact CA-OD1 3.23Å; S438-D560 WeakPolarHBondContact CB-OD1 3.43Å; S438-D560 VanDerWaalsContact OG-CG 3.23Å; S438-D560 PolarHBondContact OG-OD1 2.96Å; S438-D560 PolarHBondContact OG-OD2 3.11Å; E439-D560 PolarHBondContact N-OD1 3.14Å; S557-D560 WeakPolarHBondContact CB-OD2 3.49Å; S557-D560 PolarHBondContact N-OD2 3.09Å; S557-D560 WeakPolarHBondContact O-CA 3.41Å; S557-D560 WeakPolarHBondContact O-CB 3.28Å; S557-D560 PolarHBondContact O-N 2.82Å; S557-D560 PolarHBondContact OG-N 3Å; S557-D560 PolarHBondContact OG-OD2 2.79Å; D560-F564 WeakPolarHBondContact O-CD2 3.31Å; D560-M581 HydrophobicContact CB-CE 4.04Å
561	M	79.5	Confident	74	Confident	18 Å²	18	56 Å²	56	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-71.6	-38.3	172.8	-66.3	-165.4	-74.1	0	0	112.4	A556 S557 D558 R559 L563 F564 S657 R661	A556-M561 HydrophobicContact CB-CG 3.94Å; A556-M561 HydrophobicContact CB-SD 4.48Å; S557-M561 PolarHBondContact O-N 3.04Å; D558-M561 PolarHBondContact O-N 3.19Å; D558-M561 WeakPolarHBondContact OD1-CE 3.22Å; R559-M561 VanDerWaalsContact C-N 3.33Å; M561-L563 PolarHBondContact O-N 2.8Å; M561-F564 WeakPolarHBondContact O-CB 3.47Å; M561-F564 PolarHBondContact O-N 2.86Å; M561-S657 VanDerWaalsContact O-CB 3.28Å; M561-S657 WeakPolarHBondContact O-CB 3.39Å; M561-R661 HydrophobicContact CE-CG 4.02Å; M561-R661 HydrophobicContact SD-CG 3.66Å
562	Q	80.3	Confident	76.3	Confident	109 Å²	109	54.8 Å²	54.8	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-28.8	177.9	-77.7	163.3	15.2	0	0	113.1	D558 R559 F564 D565	D558-Q562 WeakPolarHBondContact O-CB 3.39Å; D558-Q562 WeakPolarHBondContact O-CG 3.36Å; D558-Q562 PolarHBondContact O-N 2.67Å; R559-Q562 PolarHBondContact O-N 2.83Å; Q562-F564 PolarHBondContact O-N 3.13Å; Q562-F564 VanDerWaalsContact O-N 3.09Å; Q562-D565 WeakPolarHBondContact CA-OD2 3.33Å; Q562-D565 WeakPolarHBondContact O-CB 3.35Å; Q562-D565 PolarHBondContact O-N 3.17Å
563	L	79	Confident	78.5	Confident	52 Å²	52	59.9 Å²	59.9	27%	0.272	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.4	172.4	-68	170.2	0	0	0	113.6	L434 M436 R559 M561 M581	L434-L563 HydrophobicContact CD1-CD2 4.13Å; M436-L563 HydrophobicContact CE-CD1 4.41Å; M436-L563 HydrophobicContact CE-CD2 4.27Å; R559-L563 PolarHBondContact O-N 3.27Å; M561-L563 PolarHBondContact O-N 2.8Å; L563-M581 HydrophobicContact CD1-CE 3.51Å; L563-M581 HydrophobicContact CD1-SD 4.42Å
564	F	85.6	Confident	80.5	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.013	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1.3	177	-65.5	-91	0	0	0	113.9	D560 M561 Q562 S566 I567 L574 L577 M581 L583 W656 L660	D560-F564 WeakPolarHBondContact O-CD2 3.31Å; M561-F564 WeakPolarHBondContact O-CB 3.47Å; M561-F564 PolarHBondContact O-N 2.86Å; Q562-F564 PolarHBondContact O-N 3.13Å; Q562-F564 VanDerWaalsContact O-N 3.09Å; F564-S566 PolarHBondContact O-N 3.01Å; F564-I567 HydrophobicContact CD1-CD1 3.88Å; F564-I567 HydrophobicContact CE1-CD1 4.37Å; F564-I567 HydrophobicContact CG-CD1 4.5Å; F564-I567 PolarHBondContact O-N 3.06Å; F564-I567 VanDerWaalsContact O-N 3.1Å; F564-L574 HydrophobicContact CD1-CD2 3.7Å; F564-L574 HydrophobicContact CE1-CD2 3.8Å; F564-L577 HydrophobicContact CE1-CB 3.9Å; F564-L577 HydrophobicContact CZ-CB 4.15Å; F564-M581 HydrophobicContact CE2-CB 4.42Å; F564-M581 HydrophobicContact CE2-CG 3.89Å; F564-M581 HydrophobicContact CZ-CB 4.38Å; F564-M581 HydrophobicContact CZ-CG 3.77Å; F564-L583 HydrophobicContact CD2-CD1 4.14Å; F564-L583 HydrophobicContact CE2-CD1 3.4Å; F564-L583 HydrophobicContact CZ-CD1 3.89Å; F564-W656 HydrophobicContact CB-CB 4.25Å; F564-W656 HydrophobicContact CD1-CB 4.27Å; F564-W656 AromaticContact CD1-CD1 3.44Å; F564-W656 VanDerWaalsContact CD1-CD1 3.44Å; F564-W656 HydrophobicContact CD1-CG 4.16Å; F564-W656 AromaticContact CE1-CD1 3.89Å; F564-W656 AromaticContact CG-CD1 3.94Å; F564-L660 HydrophobicContact CB-CD1 4.49Å; F564-L660 HydrophobicContact CD2-CD1 4.11Å; F564-L660 HydrophobicContact CG-CD1 4.22Å
565	D	85.8	Confident	82.1	Confident	67 Å²	67	54.7 Å²	54.7	36%	0.358	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.6	175.3	-71.2	-23.6	0	0	0	112.3	Q562 T655 S657 R661	Q562-D565 WeakPolarHBondContact CA-OD2 3.33Å; Q562-D565 WeakPolarHBondContact O-CB 3.35Å; Q562-D565 PolarHBondContact O-N 3.17Å; D565-T655 WeakPolarHBondContact O-CG2 3.49Å; D565-S657 WeakPolarHBondContact CA-OG 3.34Å; D565-S657 WeakPolarHBondContact OD1-CB 3.35Å; D565-S657 PolarHBondContact OD1-OG 2.89Å; D565-R661 IonicContact OD1-CZ 3.33Å; D565-R661 IonicContact OD1-NH1 2.99Å; D565-R661 IonicContact OD1-NH2 2.72Å; D565-R661 PolarHBondContact OD1-NH2 2.81Å
566	S	83.5	Confident	83.4	Confident	111 Å²	111	55.5 Å²	55.5	78%	0.776	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	8.2	176	67.8	0	0	0	0	114.3	F564	F564-S566 PolarHBondContact O-N 3.01Å
567	I	87.6	Confident	84.5	Confident	11 Å²	11	56 Å²	56	6%	0.056	29%	0.291	C	S	.	.	S	Bend	trans	-120	120.1	-171.2	-52.1	-176.5	0	0	0	109.8	F564 D571 L574 L577 T655 W656	F564-I567 HydrophobicContact CD1-CD1 3.88Å; F564-I567 HydrophobicContact CE1-CD1 4.37Å; F564-I567 HydrophobicContact CG-CD1 4.5Å; F564-I567 PolarHBondContact O-N 3.06Å; F564-I567 VanDerWaalsContact O-N 3.1Å; I567-D571 HydrophobicContact CG2-CB 3.68Å; I567-L574 HydrophobicContact CB-CD2 4.48Å; I567-L574 HydrophobicContact CG2-CD2 3.6Å; I567-L574 HydrophobicContact CG2-CG 3.95Å; I567-L577 HydrophobicContact CD1-CD1 3.74Å; I567-T655 WeakPolarHBondContact O-CA 3.4Å; I567-W656 PolarHBondContact O-N 2.93Å
568	S	92.2	Very high	85.5	Confident	55 Å²	55	54.9 Å²	54.9	39%	0.385	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-69.8	150.4	178.7	64.6	0	0	0	0	111.7	T570 D571 L574 N654	S568-T570 PolarHBondContact O-N 2.91Å; S568-T570 PolarHBondContact OG-OG1 2.91Å; S568-D571 WeakPolarHBondContact O-CB 3.39Å; S568-D571 PolarHBondContact O-N 3.22Å; S568-L574 VanDerWaalsContact O-CD1 3.31Å; S568-L574 WeakPolarHBondContact O-CD1 3.38Å; S568-N654 VanDerWaalsContact CA-O 3.27Å; S568-N654 WeakPolarHBondContact CA-O 3.27Å
569	V	93.4	Very high	86.1	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.4	178	174	0	0	0	0	113.1	L574 Q643 L646 A647 V653 N654 W656 L659	V569-L574 VanDerWaalsContact O-CD1 3.28Å; V569-L574 WeakPolarHBondContact O-CD1 3.49Å; V569-Q643 WeakPolarHBondContact O-CB 3.46Å; V569-Q643 WeakPolarHBondContact O-CG 3.44Å; V569-L646 HydrophobicContact CG1-CB 4.3Å; V569-A647 HydrophobicContact CB-CB 4.33Å; V569-A647 HydrophobicContact CG1-CB 3.81Å; V569-V653 WeakPolarHBondContact CG2-O 3.49Å; V569-N654 PolarHBondContact N-O 3.39Å; V569-W656 HydrophobicContact CB-CE3 4.46Å; V569-W656 HydrophobicContact CG1-CE3 4.17Å; V569-W656 HydrophobicContact CG1-CZ3 4.21Å; V569-W656 HydrophobicContact CG2-CE3 4.43Å; V569-L659 HydrophobicContact CB-CD1 4.2Å; V569-L659 HydrophobicContact CG1-CD1 3.52Å; V569-L659 HydrophobicContact CG2-CD1 3.55Å; V569-L659 HydrophobicContact CG2-CG 3.95Å
570	T	92.8	Very high	86.8	Confident	55 Å²	55	52.5 Å²	52.5	34%	0.337	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8	-177.3	51.5	0	0	0	0	115	S568 P572 A647	S568-T570 PolarHBondContact O-N 2.91Å; S568-T570 PolarHBondContact OG-OG1 2.91Å; T570-P572 WeakPolarHBondContact O-CD 3.35Å; T570-A647 HydrophobicContact CG2-CB 3.96Å
571	D	92.2	Very high	87.1	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	27%	0.274	C	S	.	.			trans	-70.2	121.6	-179.5	-172.6	-40	0	0	0	111.6	I567 S568 R573 L574 Q643	I567-D571 HydrophobicContact CG2-CB 3.68Å; S568-D571 WeakPolarHBondContact O-CB 3.39Å; S568-D571 PolarHBondContact O-N 3.22Å; D571-R573 PolarHBondContact O-N 3.27Å; D571-R573 WeakPolarHBondContact OD1-CB 3.28Å; D571-R573 WeakPolarHBondContact OD1-CG 3.41Å; D571-R573 PolarHBondContact OD1-N 3.47Å; D571-R573 IonicContact OD1-NE 3.77Å; D571-R573 PolarHBondContact OD1-NE 3.44Å; D571-R573 IonicContact OD2-CZ 3.77Å; D571-R573 VanDerWaalsContact OD2-CZ 3.24Å; D571-R573 IonicContact OD2-NE 3Å; D571-R573 PolarHBondContact OD2-NE 2.85Å; D571-R573 IonicContact OD2-NH2 2.67Å; D571-R573 PolarHBondContact OD2-NH2 3.4Å; D571-L574 HydrophobicContact CB-CD1 4.38Å; D571-L574 HydrophobicContact CB-CG 4.16Å; D571-L574 WeakPolarHBondContact O-CB 3.31Å; D571-L574 WeakPolarHBondContact O-CG 3.31Å; D571-L574 PolarHBondContact O-N 2.99Å; D571-Q643 PolarHBondContact O-NE2 3.17Å; D571-Q643 VanDerWaalsContact O-NE2 3.13Å
572	P	91.1	Very high	87.1	Confident	97 Å²	97	53.4 Å²	53.4	63%	0.63	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.7	-179.1	-26.2	35.9	0	0	0	115.2	T570 L574 L640	T570-P572 WeakPolarHBondContact O-CD 3.35Å; P572-L574 VanDerWaalsContact C-N 3.34Å; P572-L640 HydrophobicContact CB-CD2 4.02Å
573	R	90.3	Very high	87.4	Confident	153 Å²	153	48.9 Å²	48.9	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.5	179	-56.6	174.7	-67	167.1	0.7	113	D571 Y575 E576 L577	D571-R573 PolarHBondContact O-N 3.27Å; D571-R573 WeakPolarHBondContact OD1-CB 3.28Å; D571-R573 WeakPolarHBondContact OD1-CG 3.41Å; D571-R573 PolarHBondContact OD1-N 3.47Å; D571-R573 IonicContact OD1-NE 3.77Å; D571-R573 PolarHBondContact OD1-NE 3.44Å; D571-R573 IonicContact OD2-CZ 3.77Å; D571-R573 VanDerWaalsContact OD2-CZ 3.24Å; D571-R573 IonicContact OD2-NE 3Å; D571-R573 PolarHBondContact OD2-NE 2.85Å; D571-R573 IonicContact OD2-NH2 2.67Å; D571-R573 PolarHBondContact OD2-NH2 3.4Å; R573-Y575 VanDerWaalsContact C-N 3.27Å; R573-Y575 PolarHBondContact O-N 3.49Å; R573-Y575 VanDerWaalsContact O-N 3.16Å; R573-E576 PolarHBondContact O-N 2.88Å; R573-E576 VanDerWaalsContact O-N 3.12Å; R573-L577 HydrophobicContact CB-CD1 3.97Å; R573-L577 HydrophobicContact CB-CG 4.33Å; R573-L577 WeakPolarHBondContact O-CG 3.49Å; R573-L577 PolarHBondContact O-N 2.94Å
574	L	90.9	Very high	87.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-31.8	-172.2	-81.4	172.8	0	0	0	114.7	F564 I567 S568 V569 D571 P572 S578 P586 W656	F564-L574 HydrophobicContact CD1-CD2 3.7Å; F564-L574 HydrophobicContact CE1-CD2 3.8Å; I567-L574 HydrophobicContact CB-CD2 4.48Å; I567-L574 HydrophobicContact CG2-CD2 3.6Å; I567-L574 HydrophobicContact CG2-CG 3.95Å; S568-L574 VanDerWaalsContact O-CD1 3.31Å; S568-L574 WeakPolarHBondContact O-CD1 3.38Å; V569-L574 VanDerWaalsContact O-CD1 3.28Å; V569-L574 WeakPolarHBondContact O-CD1 3.49Å; D571-L574 HydrophobicContact CB-CD1 4.38Å; D571-L574 HydrophobicContact CB-CG 4.16Å; D571-L574 WeakPolarHBondContact O-CB 3.31Å; D571-L574 WeakPolarHBondContact O-CG 3.31Å; D571-L574 PolarHBondContact O-N 2.99Å; P572-L574 VanDerWaalsContact C-N 3.34Å; L574-S578 VanDerWaalsContact O-CB 3.26Å; L574-S578 WeakPolarHBondContact O-CB 3.44Å; L574-S578 PolarHBondContact O-N 2.7Å; L574-S578 PolarHBondContact O-OG 2.85Å; L574-P586 HydrophobicContact CB-CG 4.33Å; L574-W656 HydrophobicContact CD1-CB 4.05Å; L574-W656 HydrophobicContact CD1-CD2 3.69Å; L574-W656 HydrophobicContact CD1-CE3 3.62Å; L574-W656 HydrophobicContact CD1-CG 3.89Å; L574-W656 HydrophobicContact CD1-CZ3 4.38Å; L574-W656 HydrophobicContact CD2-CB 3.67Å; L574-W656 HydrophobicContact CD2-CD2 3.9Å; L574-W656 HydrophobicContact CD2-CG 3.38Å; L574-W656 HydrophobicContact CG-CD2 4.35Å; L574-W656 HydrophobicContact CG-CG 4.26Å
575	Y	91.8	Very high	88.2	Confident	60 Å²	60	48.3 Å²	48.3	24%	0.235	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-53.5	174.8	168.5	-99.3	0	0	0	111.3	R573 L577 S578 V579 T585 R635 H639	R573-Y575 VanDerWaalsContact C-N 3.27Å; R573-Y575 PolarHBondContact O-N 3.49Å; R573-Y575 VanDerWaalsContact O-N 3.16Å; Y575-L577 VanDerWaalsContact C-N 3.34Å; Y575-L577 PolarHBondContact O-N 3.36Å; Y575-S578 PolarHBondContact O-N 2.73Å; Y575-V579 HydrophobicContact CD2-CG2 4.39Å; Y575-V579 HydrophobicContact CE1-CG2 4.46Å; Y575-V579 HydrophobicContact CE2-CG2 3.96Å; Y575-V579 WeakPolarHBondContact O-CG2 3.43Å; Y575-V579 PolarHBondContact O-N 3.18Å; Y575-T585 HydrophobicContact CD2-CG2 4.4Å; Y575-T585 HydrophobicContact CE2-CG2 4.22Å; Y575-R635 WeakPolarHBondContact OH-CD 3.39Å; Y575-H639 HydrophobicContact CD2-CB 4.14Å; Y575-H639 AromaticContact CD2-CD2 3.2Å; Y575-H639 WeakPolarHBondContact CD2-CD2 3.28Å; Y575-H639 AromaticContact CD2-CE1 3.9Å; Y575-H639 AromaticContact CD2-CG 3.48Å; Y575-H639 VanDerWaalsContact CD2-CG 3.48Å; Y575-H639 AromaticContact CD2-ND1 3.89Å; Y575-H639 AromaticContact CD2-NE2 3.53Å; Y575-H639 AromaticContact CE2-CD2 3.36Å; Y575-H639 WeakPolarHBondContact CE2-CD2 3.46Å; Y575-H639 AromaticContact CE2-CE1 3.85Å; Y575-H639 AromaticContact CE2-NE2 3.25Å; Y575-H639 WeakPolarHBondContact CE2-NE2 3.38Å; Y575-H639 HydrophobicContact CG-CB 4.42Å; Y575-H639 AromaticContact CG-CD2 3.96Å
576	E	88.2	Confident	88.7	Confident	104 Å²	104	45.1 Å²	45.1	49%	0.486	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-41.6	178.3	178.4	63.3	-154.5	0	0	111.1	R573 V579 R580	R573-E576 PolarHBondContact O-N 2.88Å; R573-E576 VanDerWaalsContact O-N 3.12Å; E576-V579 PolarHBondContact O-N 3.48Å; E576-R580 WeakPolarHBondContact O-CB 3.44Å; E576-R580 VanDerWaalsContact O-CG 3.28Å; E576-R580 WeakPolarHBondContact O-CG 3.18Å; E576-R580 PolarHBondContact O-N 3.23Å
577	L	87.2	Confident	89.3	Confident	20 Å²	20	40.9 Å²	40.9	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-44.3	177.1	-67.6	173.1	0	0	0	112	M436 F564 I567 R573 Y575 V579 R580 M581	M436-L577 HydrophobicContact SD-CD2 3.97Å; F564-L577 HydrophobicContact CE1-CB 3.9Å; F564-L577 HydrophobicContact CZ-CB 4.15Å; I567-L577 HydrophobicContact CD1-CD1 3.74Å; R573-L577 HydrophobicContact CB-CD1 3.97Å; R573-L577 HydrophobicContact CB-CG 4.33Å; R573-L577 WeakPolarHBondContact O-CG 3.49Å; R573-L577 PolarHBondContact O-N 2.94Å; Y575-L577 VanDerWaalsContact C-N 3.34Å; Y575-L577 PolarHBondContact O-N 3.36Å; L577-V579 VanDerWaalsContact C-N 3.35Å; L577-V579 PolarHBondContact O-N 3.35Å; L577-R580 PolarHBondContact O-N 2.93Å; L577-M581 WeakPolarHBondContact O-CB 3.47Å; L577-M581 WeakPolarHBondContact O-CG 3.33Å; L577-M581 PolarHBondContact O-N 3.39Å
578	S	88	Confident	89.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-44.2	177.4	-55.7	0	0	0	0	111.1	L574 Y575 M581 A582 L583	L574-S578 VanDerWaalsContact O-CB 3.26Å; L574-S578 WeakPolarHBondContact O-CB 3.44Å; L574-S578 PolarHBondContact O-N 2.7Å; L574-S578 PolarHBondContact O-OG 2.85Å; Y575-S578 PolarHBondContact O-N 2.73Å; S578-M581 PolarHBondContact O-N 3.48Å; S578-A582 PolarHBondContact O-N 2.89Å; S578-L583 PolarHBondContact O-N 3.42Å
579	V	86.1	Confident	89.6	Confident	70 Å²	70	40.9 Å²	40.9	42%	0.424	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-42.5	175.6	171.6	0	0	0	0	111.7	Y575 E576 L577 A582 T585	Y575-V579 HydrophobicContact CD2-CG2 4.39Å; Y575-V579 HydrophobicContact CE1-CG2 4.46Å; Y575-V579 HydrophobicContact CE2-CG2 3.96Å; Y575-V579 WeakPolarHBondContact O-CG2 3.43Å; Y575-V579 PolarHBondContact O-N 3.18Å; E576-V579 PolarHBondContact O-N 3.48Å; L577-V579 VanDerWaalsContact C-N 3.35Å; L577-V579 PolarHBondContact O-N 3.35Å; V579-A582 PolarHBondContact O-N 2.74Å; V579-T585 HydrophobicContact CG2-CG2 4.05Å
580	R	81.7	Confident	89.7	Confident	85 Å²	85	40.7 Å²	40.7	32%	0.321	21%	0.207	S	C	.	.	H	α-helix	trans	-62.2	-43.1	175.4	-77.7	-176.8	74.3	85.9	5.8	112.3	M436 M437 N466 E576 L577 A582	M436-R580 PolarHBondContact O-NE 3.28Å; M436-R580 PolarHBondContact O-NH2 2.89Å; M436-R580 VanDerWaalsContact O-NH2 3.07Å; M437-R580 HydrophobicContact CE-CB 3.54Å; M437-R580 HydrophobicContact CE-CG 3.93Å; M437-R580 WeakPolarHBondContact CE-O 3.18Å; N466-R580 PolarHBondContact ND2-O 3.42Å; N466-R580 VanDerWaalsContact ND2-O 3.08Å; E576-R580 WeakPolarHBondContact O-CB 3.44Å; E576-R580 VanDerWaalsContact O-CG 3.28Å; E576-R580 WeakPolarHBondContact O-CG 3.18Å; E576-R580 PolarHBondContact O-N 3.23Å; L577-R580 PolarHBondContact O-N 2.93Å; R580-A582 VanDerWaalsContact C-N 3.29Å; R580-A582 PolarHBondContact O-N 2.84Å
581	M	81.1	Confident	89.7	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-80.1	-6.1	-178.5	-60.4	-62.2	-67.1	0	0	113.7	M437 S438 D560 L563 F564 L577 S578 L583	M437-M581 VanDerWaalsContact CA-SD 3.56Å; S438-M581 PolarHBondContact N-SD 2.98Å; S438-M581 VanDerWaalsContact N-SD 3.45Å; D560-M581 HydrophobicContact CB-CE 4.04Å; L563-M581 HydrophobicContact CD1-CE 3.51Å; L563-M581 HydrophobicContact CD1-SD 4.42Å; F564-M581 HydrophobicContact CE2-CB 4.42Å; F564-M581 HydrophobicContact CE2-CG 3.89Å; F564-M581 HydrophobicContact CZ-CB 4.38Å; F564-M581 HydrophobicContact CZ-CG 3.77Å; L577-M581 WeakPolarHBondContact O-CB 3.47Å; L577-M581 WeakPolarHBondContact O-CG 3.33Å; L577-M581 PolarHBondContact O-N 3.39Å; S578-M581 PolarHBondContact O-N 3.48Å; M581-L583 VanDerWaalsContact C-N 3.28Å; M581-L583 HydrophobicContact CB-CB 4.49Å; M581-L583 HydrophobicContact CB-CD1 3.76Å; M581-L583 HydrophobicContact CB-CG 3.75Å; M581-L583 HydrophobicContact CG-CD1 4.47Å; M581-L583 PolarHBondContact O-N 3.09Å
582	A	81.5	Confident	89.6	Confident	36 Å²	36	39.7 Å²	39.7	30%	0.298	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	34.4	-170.1	0	0	0	0	0	114.3	T468 S578 V579 R580	T468-A582 WeakPolarHBondContact O-CB 3.39Å; T468-A582 VanDerWaalsContact OG1-CB 3.25Å; T468-A582 WeakPolarHBondContact OG1-CB 3.38Å; S578-A582 PolarHBondContact O-N 2.89Å; V579-A582 PolarHBondContact O-N 2.74Å; R580-A582 VanDerWaalsContact C-N 3.29Å; R580-A582 PolarHBondContact O-N 2.84Å
583	L	85.3	Confident	89.7	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.073	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-97.3	161	175.8	-60.9	176.5	0	0	0	111	A556 F564 S578 M581 T585 L660	A556-L583 HydrophobicContact CB-CD2 3.5Å; F564-L583 HydrophobicContact CD2-CD1 4.14Å; F564-L583 HydrophobicContact CE2-CD1 3.4Å; F564-L583 HydrophobicContact CZ-CD1 3.89Å; S578-L583 PolarHBondContact O-N 3.42Å; M581-L583 VanDerWaalsContact C-N 3.28Å; M581-L583 HydrophobicContact CB-CB 4.49Å; M581-L583 HydrophobicContact CB-CD1 3.76Å; M581-L583 HydrophobicContact CB-CG 3.75Å; M581-L583 HydrophobicContact CG-CD1 4.47Å; M581-L583 PolarHBondContact O-N 3.09Å; L583-T585 PolarHBondContact O-N 2.97Å; L583-L660 HydrophobicContact CD1-CD1 3.92Å
584	P	88.8	Confident	89.7	Confident	32 Å²	32	28.1 Å²	28.1	21%	0.208	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-55.1	128.6	177.9	-25.2	34.5	0	0	0	112.1	L589 P665	P584-L589 HydrophobicContact CB-CB 4.39Å; P584-L589 HydrophobicContact CB-CD1 4.07Å; P584-L589 HydrophobicContact CG-CD1 4.36Å; P584-P665 HydrophobicContact CG-CG 4.11Å
585	T	93.5	Very high	89.6	Confident	11 Å²	11	32.5 Å²	32.5	7%	0.067	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-64	158.4	175.2	74.3	0	0	0	0	110.3	Y575 V579 L583 Y587 N588 L589 H639	Y575-T585 HydrophobicContact CD2-CG2 4.4Å; Y575-T585 HydrophobicContact CE2-CG2 4.22Å; V579-T585 HydrophobicContact CG2-CG2 4.05Å; L583-T585 PolarHBondContact O-N 2.97Å; T585-Y587 PolarHBondContact O-N 3.19Å; T585-N588 PolarHBondContact O-N 3.12Å; T585-N588 VanDerWaalsContact OG1-CG 3.23Å; T585-N588 PolarHBondContact OG1-N 2.79Å; T585-N588 PolarHBondContact OG1-ND2 2.85Å; T585-N588 PolarHBondContact OG1-OD1 2.88Å; T585-L589 PolarHBondContact O-N 3.35Å; T585-H639 PolarHBondContact OG1-CE1 3.4Å
586	P	95.4	Very high	89.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-19.2	-176.1	-27.3	35.3	0	0	0	116	L574 L590 H639 A642 Q643 W656	L574-P586 HydrophobicContact CB-CG 4.33Å; P586-L590 PolarHBondContact O-N 2.81Å; P586-H639 HydrophobicContact CB-CB 4.45Å; P586-A642 VanDerWaalsContact O-CB 3.28Å; P586-A642 WeakPolarHBondContact O-CB 3.45Å; P586-Q643 HydrophobicContact CB-CG 3.78Å; P586-Q643 HydrophobicContact CG-CG 4.08Å; P586-W656 HydrophobicContact CB-CH2 3.69Å; P586-W656 HydrophobicContact CB-CZ2 4.19Å; P586-W656 HydrophobicContact CB-CZ3 4.4Å; P586-W656 HydrophobicContact CG-CH2 3.93Å; P586-W656 HydrophobicContact CG-CZ2 3.98Å
587	Y	95.8	Very high	89.2	Confident	23 Å²	23	31.8 Å²	31.8	9%	0.09	17%	0.17	C	C	.	.	H	α-helix	trans	-81.8	-41.2	172	-174.8	-97	0	0	0	111.3	T585 L589 L590 V591 E601 L604 R638 H639 A642	T585-Y587 PolarHBondContact O-N 3.19Å; Y587-L589 VanDerWaalsContact C-N 3.28Å; Y587-L589 PolarHBondContact O-N 2.86Å; Y587-L590 WeakPolarHBondContact O-CB 3.3Å; Y587-L590 PolarHBondContact O-N 3.09Å; Y587-L590 VanDerWaalsContact O-N 3.09Å; Y587-V591 HydrophobicContact CD1-CG2 3.9Å; Y587-V591 HydrophobicContact CE1-CG2 3.44Å; Y587-V591 VanDerWaalsContact CE1-CG2 3.44Å; Y587-V591 PolarHBondContact O-N 3.31Å; Y587-E601 PolarHBondContact OH-OE1 3.45Å; Y587-L604 HydrophobicContact CE2-CD2 3.9Å; Y587-R638 HydrophobicContact CD2-CG 3.26Å; Y587-R638 HydrophobicContact CE2-CG 3.76Å; Y587-R638 HydrophobicContact CG-CG 3.71Å; Y587-H639 WeakPolarHBondContact CB-ND1 3.28Å; Y587-H639 PolarHBondContact N-ND1 3.04Å; Y587-A642 HydrophobicContact CD2-CB 4.35Å
588	N	93.7	Very high	89	Confident	64 Å²	64	36.4 Å²	36.4	34%	0.342	20%	0.203	S	C	.	.	H	α-helix	trans	-68.7	-32.1	-179	-58	4	0	0	0	110.6	T585 E592	T585-N588 PolarHBondContact O-N 3.12Å; T585-N588 VanDerWaalsContact OG1-CG 3.23Å; T585-N588 PolarHBondContact OG1-N 2.79Å; T585-N588 PolarHBondContact OG1-ND2 2.85Å; T585-N588 PolarHBondContact OG1-OD1 2.88Å; N588-E592 VanDerWaalsContact O-CB 3.27Å; N588-E592 WeakPolarHBondContact O-CB 3.38Å; N588-E592 PolarHBondContact O-N 2.9Å
589	L	93.6	Very high	88.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-69.8	-32.8	171	-157.2	72.6	0	0	0	112.7	P584 T585 Y587 C593 L646 W656 L659 L660	P584-L589 HydrophobicContact CB-CB 4.39Å; P584-L589 HydrophobicContact CB-CD1 4.07Å; P584-L589 HydrophobicContact CG-CD1 4.36Å; T585-L589 PolarHBondContact O-N 3.35Å; Y587-L589 VanDerWaalsContact C-N 3.28Å; Y587-L589 PolarHBondContact O-N 2.86Å; L589-C593 WeakPolarHBondContact O-CB 3.25Å; L589-C593 PolarHBondContact O-N 2.98Å; L589-L646 HydrophobicContact CB-CD1 4.48Å; L589-W656 HydrophobicContact CB-CH2 4.22Å; L589-W656 HydrophobicContact CB-CZ2 4.36Å; L589-W656 HydrophobicContact CD2-CH2 3.47Å; L589-W656 VanDerWaalsContact CD2-CH2 3.47Å; L589-W656 HydrophobicContact CD2-CZ2 3.51Å; L589-W656 HydrophobicContact CD2-CZ3 4.17Å; L589-W656 HydrophobicContact CG-CH2 4.48Å; L589-L659 HydrophobicContact CD2-CB 3.81Å; L589-L660 HydrophobicContact CD1-CD2 4.41Å; L589-L660 HydrophobicContact CD2-CD2 4.42Å
590	L	94.6	Very high	88.8	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-48.2	171.6	172.6	68.7	0	0	0	111.6	P586 Y587 E592 C593 L594 L604 L620 A642 L645 L646 L649	P586-L590 PolarHBondContact O-N 2.81Å; Y587-L590 WeakPolarHBondContact O-CB 3.3Å; Y587-L590 PolarHBondContact O-N 3.09Å; Y587-L590 VanDerWaalsContact O-N 3.09Å; L590-E592 PolarHBondContact O-N 3.18Å; L590-C593 WeakPolarHBondContact O-CB 3.16Å; L590-C593 PolarHBondContact O-N 3.18Å; L590-C593 VanDerWaalsContact O-N 3.08Å; L590-L594 HydrophobicContact CD1-CG 4.43Å; L590-L594 HydrophobicContact CG-CD1 4.45Å; L590-L594 WeakPolarHBondContact O-CG 3.25Å; L590-L594 PolarHBondContact O-N 3.16Å; L590-L604 HydrophobicContact CD2-CD1 4.17Å; L590-L604 HydrophobicContact CD2-CD2 3.99Å; L590-L620 HydrophobicContact CD2-CD2 3.74Å; L590-A642 HydrophobicContact CB-CB 4.19Å; L590-A642 HydrophobicContact CD2-CB 3.8Å; L590-L645 HydrophobicContact CD1-CD2 4.05Å; L590-L645 HydrophobicContact CD1-CG 4.27Å; L590-L645 HydrophobicContact CD2-CD2 3.91Å; L590-L646 HydrophobicContact CB-CD1 4.21Å; L590-L646 HydrophobicContact CB-CD2 4.4Å; L590-L646 HydrophobicContact CB-CG 4.21Å; L590-L646 HydrophobicContact CD1-CD2 4.15Å; L590-L646 HydrophobicContact CD1-CG 4.21Å; L590-L649 HydrophobicContact CD1-CD1 4.05Å
591	V	92.9	Very high	89	Confident	25 Å²	25	37.5 Å²	37.5	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-39	176.2	171.5	0	0	0	0	110.7	Y587 L594 N595	Y587-V591 HydrophobicContact CD1-CG2 3.9Å; Y587-V591 HydrophobicContact CE1-CG2 3.44Å; Y587-V591 VanDerWaalsContact CE1-CG2 3.44Å; Y587-V591 PolarHBondContact O-N 3.31Å; V591-L594 PolarHBondContact O-N 3.35Å; V591-N595 WeakPolarHBondContact O-CB 3.41Å; V591-N595 PolarHBondContact O-N 3.36Å; V591-N595 PolarHBondContact O-ND2 3.26Å; V591-N595 VanDerWaalsContact O-ND2 3.14Å
592	E	90.7	Very high	89.2	Confident	30 Å²	30	41.9 Å²	41.9	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-40.2	173.5	178.8	54.7	-153.9	0	0	113.2	N588 L590 N595 R596 Y663 K668	N588-E592 VanDerWaalsContact O-CB 3.27Å; N588-E592 WeakPolarHBondContact O-CB 3.38Å; N588-E592 PolarHBondContact O-N 2.9Å; L590-E592 PolarHBondContact O-N 3.18Å; E592-N595 PolarHBondContact O-N 2.92Å; E592-R596 WeakPolarHBondContact O-CG 3.5Å; E592-R596 PolarHBondContact O-N 2.98Å; E592-R596 VanDerWaalsContact O-N 3.11Å; E592-R596 IonicContact OE1-CZ 3.19Å; E592-R596 VanDerWaalsContact OE1-CZ 3.25Å; E592-R596 IonicContact OE1-NE 2.59Å; E592-R596 PolarHBondContact OE1-NE 2.91Å; E592-R596 IonicContact OE1-NH2 3.77Å; E592-R596 PolarHBondContact OE1-NH2 3.46Å; E592-Y663 VanDerWaalsContact CG-O 3.31Å; E592-Y663 WeakPolarHBondContact CG-O 3.32Å; E592-K668 VanDerWaalsContact OE1-CE 3.23Å; E592-K668 WeakPolarHBondContact OE1-CE 3.45Å; E592-K668 IonicContact OE1-NZ 3.71Å; E592-K668 PolarHBondContact OE1-NZ 2.91Å; E592-K668 WeakPolarHBondContact OE2-CE 3.46Å; E592-K668 IonicContact OE2-NZ 2.66Å; E592-K668 PolarHBondContact OE2-NZ 2.96Å
593	C	92.1	Very high	89.5	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-43.9	171.8	173.7	0	0	0	0	112.2	L589 L590 R596 S597 L646 Y663	L589-C593 WeakPolarHBondContact O-CB 3.25Å; L589-C593 PolarHBondContact O-N 2.98Å; L590-C593 WeakPolarHBondContact O-CB 3.16Å; L590-C593 PolarHBondContact O-N 3.18Å; L590-C593 VanDerWaalsContact O-N 3.08Å; C593-R596 PolarHBondContact O-N 3.49Å; C593-S597 WeakPolarHBondContact O-CB 3.49Å; C593-S597 PolarHBondContact O-N 3.43Å; C593-S597 PolarHBondContact O-OG 2.89Å; C593-L646 HydrophobicContact CB-CD2 4.18Å; C593-Y663 HydrophobicContact CB-CD1 4Å; C593-Y663 HydrophobicContact CB-CD2 4.31Å; C593-Y663 HydrophobicContact CB-CE1 3.87Å; C593-Y663 HydrophobicContact CB-CE2 4.18Å; C593-Y663 HydrophobicContact CB-CG 4.23Å
594	L	91.4	Very high	89.8	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-46.9	176	-66	177.8	0	0	0	111.7	L590 V591 R596 S597 C598 V599 L604 L622	L590-L594 HydrophobicContact CD1-CG 4.43Å; L590-L594 HydrophobicContact CG-CD1 4.45Å; L590-L594 WeakPolarHBondContact O-CG 3.25Å; L590-L594 PolarHBondContact O-N 3.16Å; V591-L594 PolarHBondContact O-N 3.35Å; L594-R596 PolarHBondContact O-N 2.88Å; L594-S597 CarbonylContact O-C 3.53Å; L594-S597 PolarHBondContact O-N 3.38Å; L594-S597 VanDerWaalsContact O-N 3.08Å; L594-C598 PolarHBondContact O-N 3.49Å; L594-C598 VanDerWaalsContact O-N 3.16Å; L594-V599 HydrophobicContact CB-CB 4.32Å; L594-V599 HydrophobicContact CD2-CB 3.99Å; L594-V599 HydrophobicContact CD2-CG1 3.97Å; L594-V599 PolarHBondContact O-N 2.83Å; L594-L604 HydrophobicContact CD1-CB 4.18Å; L594-L604 HydrophobicContact CD1-CD1 4.37Å; L594-L604 HydrophobicContact CD1-CD2 3.92Å; L594-L604 HydrophobicContact CD1-CG 4.38Å; L594-L622 HydrophobicContact CD1-CD1 4.5Å; L594-L622 HydrophobicContact CD2-CD1 3.68Å; L594-L622 HydrophobicContact CD2-CD2 3.57Å; L594-L622 HydrophobicContact CD2-CG 4.27Å
595	N	88.7	Confident	90	Very high	91 Å²	91	47.7 Å²	47.7	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-42.8	178.5	-74.5	-30.5	0	0	0	112.3	V591 E592 S597 C598	V591-N595 WeakPolarHBondContact O-CB 3.41Å; V591-N595 PolarHBondContact O-N 3.36Å; V591-N595 PolarHBondContact O-ND2 3.26Å; V591-N595 VanDerWaalsContact O-ND2 3.14Å; E592-N595 PolarHBondContact O-N 2.92Å; N595-S597 VanDerWaalsContact C-N 3.31Å; N595-C598 PolarHBondContact O-N 3.03Å
596	R	86.4	Confident	90	Very high	84 Å²	84	50.2 Å²	50.2	32%	0.317	28%	0.281	S	S	.	.	H	α-helix	trans	-70.5	-27.2	175.7	-68.4	-169.2	-157.5	-170.3	7.5	113.7	E592 C593 L594 C598 M662 Y663 S667	E592-R596 WeakPolarHBondContact O-CG 3.5Å; E592-R596 PolarHBondContact O-N 2.98Å; E592-R596 VanDerWaalsContact O-N 3.11Å; E592-R596 IonicContact OE1-CZ 3.19Å; E592-R596 VanDerWaalsContact OE1-CZ 3.25Å; E592-R596 IonicContact OE1-NE 2.59Å; E592-R596 PolarHBondContact OE1-NE 2.91Å; E592-R596 IonicContact OE1-NH2 3.77Å; E592-R596 PolarHBondContact OE1-NH2 3.46Å; C593-R596 PolarHBondContact O-N 3.49Å; L594-R596 PolarHBondContact O-N 2.88Å; R596-C598 PolarHBondContact O-N 3.2Å; R596-M662 PolarHBondContact NH1-O 2.85Å; R596-Y663 HydrophobicContact CB-CE1 4.4Å; R596-Y663 PolarHBondContact NH2-O 3.22Å; R596-S667 PolarHBondContact NH1-O 3.46Å; R596-S667 PolarHBondContact NH1-OG 2.9Å; R596-S667 PolarHBondContact NH2-OG 3.26Å
597	S	85.5	Confident	89.9	Confident	66 Å²	66	54.6 Å²	54.6	46%	0.462	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	5.7	176.6	-52.7	0	0	0	0	112.8	C593 L594 N595 V599	C593-S597 WeakPolarHBondContact O-CB 3.49Å; C593-S597 PolarHBondContact O-N 3.43Å; C593-S597 PolarHBondContact O-OG 2.89Å; L594-S597 CarbonylContact O-C 3.53Å; L594-S597 PolarHBondContact O-N 3.38Å; L594-S597 VanDerWaalsContact O-N 3.08Å; N595-S597 VanDerWaalsContact C-N 3.31Å; S597-V599 PolarHBondContact O-N 3.31Å
598	C	82.9	Confident	89.7	Confident	117 Å²	117	56.8 Å²	56.8	79%	0.791	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	32.2	-173.3	-61.2	0	0	0	0	113.7	L594 N595 R596	L594-C598 PolarHBondContact O-N 3.49Å; L594-C598 VanDerWaalsContact O-N 3.16Å; N595-C598 PolarHBondContact O-N 3.03Å; R596-C598 PolarHBondContact O-N 3.2Å
599	V	85	Confident	89.6	Confident	14 Å²	14	57.5 Å²	57.5	9%	0.085	32%	0.319	C	S	.	.			trans	-97.1	119.5	177.7	-176.6	0	0	0	0	109.3	L594 S597 D603 L622	L594-V599 HydrophobicContact CB-CB 4.32Å; L594-V599 HydrophobicContact CD2-CB 3.99Å; L594-V599 HydrophobicContact CD2-CG1 3.97Å; L594-V599 PolarHBondContact O-N 2.83Å; S597-V599 PolarHBondContact O-N 3.31Å; V599-D603 HydrophobicContact CG1-CB 3.91Å; V599-L622 HydrophobicContact CG1-CD1 4.08Å
600	P	84.3	Confident	89.4	Confident	68 Å²	68	61.3 Å²	61.3	44%	0.442	35%	0.346	S	S	.	.			trans	-60.6	142.3	176.8	-25.4	36.2	0	0	0	112.6	S602 D603	P600-S602 VanDerWaalsContact CB-OG 3.3Å; P600-S602 WeakPolarHBondContact CB-OG 3.09Å; P600-S602 PolarHBondContact O-N 3.18Å; P600-S602 VanDerWaalsContact O-N 3.09Å; P600-D603 WeakPolarHBondContact O-CB 3.2Å; P600-D603 PolarHBondContact O-N 2.97Å
601	E	84.9	Confident	88.8	Confident	95 Å²	95	67.1 Å²	67.1	44%	0.444	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-62.6	-17.6	174.7	-166.5	173.8	-175.8	0	0	112.2	Y587 D603 L604	Y587-E601 PolarHBondContact OH-OE1 3.45Å; E601-D603 VanDerWaalsContact C-N 3.26Å; E601-D603 PolarHBondContact O-N 3.42Å; E601-L604 VanDerWaalsContact O-CB 3.31Å; E601-L604 WeakPolarHBondContact O-CB 3.33Å; E601-L604 PolarHBondContact O-N 3.26Å
602	S	85.9	Confident	88.3	Confident	100 Å²	100	68.4 Å²	68.4	70%	0.699	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23.5	170.6	53.3	0	0	0	0	114.5	P600 L604	P600-S602 VanDerWaalsContact CB-OG 3.3Å; P600-S602 WeakPolarHBondContact CB-OG 3.09Å; P600-S602 PolarHBondContact O-N 3.18Å; P600-S602 VanDerWaalsContact O-N 3.09Å; S602-L604 PolarHBondContact O-N 2.93Å
603	D	88.1	Confident	87.8	Confident	52 Å²	52	79.4 Å²	79.4	28%	0.278	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-69.8	-20.9	172.3	-77.3	16	0	0	0	111.4	V599 P600 E601 K605 L622 R623	V599-D603 HydrophobicContact CG1-CB 3.91Å; P600-D603 WeakPolarHBondContact O-CB 3.2Å; P600-D603 PolarHBondContact O-N 2.97Å; E601-D603 VanDerWaalsContact C-N 3.26Å; E601-D603 PolarHBondContact O-N 3.42Å; D603-K605 PolarHBondContact O-N 3.15Å; D603-K605 VanDerWaalsContact O-N 3.17Å; D603-L622 HydrophobicContact CB-CD1 4.03Å; D603-R623 IonicContact OD2-CZ 3.26Å; D603-R623 IonicContact OD2-NE 2.82Å; D603-R623 PolarHBondContact OD2-NE 3.28Å; D603-R623 IonicContact OD2-NH2 3.11Å; D603-R623 PolarHBondContact OD2-NH2 3.48Å
604	L	91.5	Very high	87.2	Confident	12 Å²	12	84 Å²	84	6%	0.063	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	78.7	-173.4	-170.1	68.8	0	0	0	111.9	Y587 L590 L594 E601 S602 S606 L620 Q621 L622 L645	Y587-L604 HydrophobicContact CE2-CD2 3.9Å; L590-L604 HydrophobicContact CD2-CD1 4.17Å; L590-L604 HydrophobicContact CD2-CD2 3.99Å; L594-L604 HydrophobicContact CD1-CB 4.18Å; L594-L604 HydrophobicContact CD1-CD1 4.37Å; L594-L604 HydrophobicContact CD1-CD2 3.92Å; L594-L604 HydrophobicContact CD1-CG 4.38Å; E601-L604 VanDerWaalsContact O-CB 3.31Å; E601-L604 WeakPolarHBondContact O-CB 3.33Å; E601-L604 PolarHBondContact O-N 3.26Å; S602-L604 PolarHBondContact O-N 2.93Å; L604-S606 PolarHBondContact O-N 2.9Å; L604-L620 HydrophobicContact CD1-CD1 3.73Å; L604-L620 HydrophobicContact CD1-CD2 4.14Å; L604-L620 HydrophobicContact CD1-CG 3.79Å; L604-L620 HydrophobicContact CD2-CD1 4.15Å; L604-L620 HydrophobicContact CG-CD1 3.72Å; L604-L620 HydrophobicContact CG-CG 4.36Å; L604-Q621 CarbonylContact C-O 3.59Å; L604-L622 HydrophobicContact CB-CD1 4.49Å; L604-L622 HydrophobicContact CD1-CB 4.12Å; L604-L622 HydrophobicContact CD1-CD1 4.18Å; L604-L645 HydrophobicContact CD1-CD2 3.77Å
605	K	93.1	Very high	87	Confident	141 Å²	141	88.8 Å²	88.8	61%	0.613	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	129	179.5	-64	175.4	-175.7	174.9	0	110.5	D603 L620 Q621	D603-K605 PolarHBondContact O-N 3.15Å; D603-K605 VanDerWaalsContact O-N 3.17Å; K605-L620 WeakPolarHBondContact O-CA 3.35Å; K605-Q621 HydrophobicContact CB-CB 4.34Å; K605-Q621 PolarHBondContact N-O 3Å; K605-Q621 PolarHBondContact O-N 2.7Å
606	S	93.7	Very high	87.2	Confident	64 Å²	64	87 Å²	87	45%	0.448	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.1	177.2	66.3	0	0	0	0	112.9	L604 T619	L604-S606 PolarHBondContact O-N 2.9Å; S606-T619 WeakPolarHBondContact CA-O 3.27Å
607	N	93.1	Very high	87.6	Confident	91 Å²	91	85.1 Å²	85.1	49%	0.487	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.7	-176.2	-171.2	-81	0	0	0	111.3	I609 F618 T619	N607-I609 WeakPolarHBondContact OD1-CG1 3.24Å; N607-F618 CarbonylContact O-C 3.53Å; N607-F618 WeakPolarHBondContact O-CA 3.33Å; N607-T619 PolarHBondContact N-O 2.95Å; N607-T619 PolarHBondContact O-N 3.47Å
608	M	92.5	Very high	88.1	Confident	70 Å²	70	82.2 Å²	82.2	35%	0.345	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117.4	175.7	-171.5	177.3	178.3	0	0	111.1	H616 F617 F618 K634	M608-H616 HydrophobicContact CE-CB 3.51Å; M608-F617 CarbonylContact C-O 3.41Å; M608-F617 WeakPolarHBondContact CA-O 3.28Å; M608-F618 HydrophobicContact CB-CD2 4.11Å; M608-F618 HydrophobicContact CG-CD2 4.37Å; M608-K634 HydrophobicContact SD-CB 3.68Å; M608-K634 HydrophobicContact SD-CG 4.11Å
609	I	91.3	Very high	88.7	Confident	79 Å²	79	77.9 Å²	77.9	41%	0.405	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.8	-176.4	-51.7	179	0	0	0	110	N607 H616 F617	N607-I609 WeakPolarHBondContact OD1-CG1 3.24Å; I609-H616 WeakPolarHBondContact O-CA 3.27Å; I609-F617 PolarHBondContact N-O 2.91Å; I609-F617 PolarHBondContact O-N 2.87Å
610	S	88.1	Confident	89.2	Confident	80 Å²	80	77.2 Å²	77.2	56%	0.559	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.9	171.8	55	0	0	0	0	111.7	G612	S610-G612 PolarHBondContact O-N 3.24Å
611	Q	83.7	Confident	89.7	Confident	123 Å²	123	77.5 Å²	77.5	58%	0.575	41%	0.407	S	S	*	.			trans	-90.4	76.3	173.1	-161.1	-177.5	26.8	0	0	110.2	K615 F617	Q611-K615 HydrophobicContact CB-CB 4.4Å; Q611-K615 PolarHBondContact N-O 3.12Å; Q611-F617 HydrophobicContact CB-CD2 4.25Å; Q611-F617 HydrophobicContact CB-CE2 3.99Å
612	G	82.6	Confident	90	Very high	52 Å²	52	73.4 Å²	73.4	54%	0.536	39%	0.389	S	S	.	.	S	Bend	trans	78.2	-168.4	-174.6	0	0	0	0	0	113.7	S610 S614	S610-G612 PolarHBondContact O-N 3.24Å; G612-S614 VanDerWaalsContact C-N 3.26Å; G612-S614 PolarHBondContact O-N 3.49Å
613	R	79.8	Confident	90	Very high	261 Å²	261	76 Å²	76	99%	0.985	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-4	-162.1	-63.2	-178.2	-179.2	153.7	1.3	117
614	S	79.2	Confident	89.9	Confident	99 Å²	99	81.8 Å²	81.8	69%	0.692	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158	3.6	-169.2	-160.5	0	0	0	0	115.5	G612	G612-S614 VanDerWaalsContact C-N 3.26Å; G612-S614 PolarHBondContact O-N 3.49Å
615	K	86.5	Confident	89.9	Confident	106 Å²	106	84.7 Å²	84.7	46%	0.461	42%	0.421	S	S	.	.			trans	-117.8	111.2	176.4	-62.4	178.4	-178	178.6	0	108.2	Q611 F617	Q611-K615 HydrophobicContact CB-CB 4.4Å; Q611-K615 PolarHBondContact N-O 3.12Å; K615-F617 HydrophobicContact CB-CE2 4.38Å
616	H	93.1	Very high	89.9	Confident	52 Å²	52	81.1 Å²	81.1	24%	0.241	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.6	172.5	-54.2	-84.2	0	0	0	109.3	M608 I609 R630 C631	M608-H616 HydrophobicContact CE-CB 3.51Å; I609-H616 WeakPolarHBondContact O-CA 3.27Å; H616-R630 WeakPolarHBondContact O-CA 3.36Å; H616-C631 PolarHBondContact O-N 3Å
617	F	94.6	Very high	90	Very high	45 Å²	45	78.2 Å²	78.2	20%	0.197	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.2	171.5	-66.6	-89.3	0	0	0	108.3	M608 I609 Q611 K615 K628 V629 R630	M608-F617 CarbonylContact C-O 3.41Å; M608-F617 WeakPolarHBondContact CA-O 3.28Å; I609-F617 PolarHBondContact N-O 2.91Å; I609-F617 PolarHBondContact O-N 2.87Å; Q611-F617 HydrophobicContact CB-CD2 4.25Å; Q611-F617 HydrophobicContact CB-CE2 3.99Å; K615-F617 HydrophobicContact CB-CE2 4.38Å; F617-K628 HydrophobicContact CB-CG 4.25Å; F617-K628 HydrophobicContact CD1-CG 4.31Å; F617-V629 CarbonylContact C-O 3.58Å; F617-V629 VanDerWaalsContact CA-O 3.28Å; F617-V629 WeakPolarHBondContact CA-O 3.25Å; F617-R630 HydrophobicContact CD1-CB 4.27Å; F617-R630 HydrophobicContact CE1-CB 4.08Å
618	F	96.1	Very high	90.1	Very high	6 Å²	6	80.2 Å²	80.2	3%	0.026	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.7	171	-166.4	-83.6	0	0	0	108	N607 M608 L620 K628 V629 K634 G637 R638 S641	N607-F618 CarbonylContact O-C 3.53Å; N607-F618 WeakPolarHBondContact O-CA 3.33Å; M608-F618 HydrophobicContact CB-CD2 4.11Å; M608-F618 HydrophobicContact CG-CD2 4.37Å; F618-L620 HydrophobicContact CE1-CB 4.4Å; F618-L620 HydrophobicContact CE1-CD1 4.38Å; F618-K628 WeakPolarHBondContact O-CA 3.36Å; F618-V629 PolarHBondContact N-O 2.71Å; F618-V629 PolarHBondContact O-N 3.44Å; F618-K634 HydrophobicContact CE2-CG 4.05Å; F618-G637 VanDerWaalsContact CB-CA 3.5Å; F618-G637 WeakPolarHBondContact CD1-O 3.38Å; F618-G637 VanDerWaalsContact CG-C 3.47Å; F618-R638 HydrophobicContact CE1-CB 4.29Å; F618-R638 HydrophobicContact CE2-CB 4.38Å; F618-R638 HydrophobicContact CZ-CB 3.96Å; F618-S641 VanDerWaalsContact CD1-OG 3.23Å; F618-S641 WeakPolarHBondContact CD1-OG 3.41Å; F618-S641 WeakPolarHBondContact CE1-OG 3.43Å
619	T	95.9	Very high	90.2	Very high	25 Å²	25	77.8 Å²	77.8	15%	0.153	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.1	176.8	-53.8	0	0	0	0	108.7	S606 N607 T626 V627	S606-T619 WeakPolarHBondContact CA-O 3.27Å; N607-T619 PolarHBondContact N-O 2.95Å; N607-T619 PolarHBondContact O-N 3.47Å; T619-T626 HydrophobicContact CG2-CG2 3.97Å; T619-V627 CarbonylContact C-O 3.52Å; T619-V627 VanDerWaalsContact CA-O 3.25Å; T619-V627 WeakPolarHBondContact CA-O 3.47Å; T619-V627 WeakPolarHBondContact CG2-O 3.27Å
620	L	95.2	Very high	90.3	Very high	1 Å²	1	81.9 Å²	81.9	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.5	173.3	-168.2	67	0	0	0	107.6	L590 L604 K605 F618 V627 A642 L645	L590-L620 HydrophobicContact CD2-CD2 3.74Å; L604-L620 HydrophobicContact CD1-CD1 3.73Å; L604-L620 HydrophobicContact CD1-CD2 4.14Å; L604-L620 HydrophobicContact CD1-CG 3.79Å; L604-L620 HydrophobicContact CD2-CD1 4.15Å; L604-L620 HydrophobicContact CG-CD1 3.72Å; L604-L620 HydrophobicContact CG-CG 4.36Å; K605-L620 WeakPolarHBondContact O-CA 3.35Å; F618-L620 HydrophobicContact CE1-CB 4.4Å; F618-L620 HydrophobicContact CE1-CD1 4.38Å; L620-V627 PolarHBondContact N-O 2.61Å; L620-V627 PolarHBondContact O-N 2.94Å; L620-A642 HydrophobicContact CD2-CB 4.39Å; L620-L645 HydrophobicContact CD2-CB 4.36Å; L620-L645 HydrophobicContact CD2-CD2 3.71Å; L620-L645 HydrophobicContact CG-CD2 4.03Å
621	Q	94.1	Very high	90.5	Very high	73 Å²	73	78.4 Å²	78.4	34%	0.341	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.8	-177.4	175.8	178.4	15.7	0	0	109.8	L604 K605 R623 H625 T626	L604-Q621 CarbonylContact C-O 3.59Å; K605-Q621 HydrophobicContact CB-CB 4.34Å; K605-Q621 PolarHBondContact N-O 3Å; K605-Q621 PolarHBondContact O-N 2.7Å; Q621-R623 PolarHBondContact NE2-O 3.41Å; Q621-R623 VanDerWaalsContact NE2-O 3.16Å; Q621-H625 WeakPolarHBondContact CA-O 3.47Å; Q621-T626 HydrophobicContact CB-CG2 4.45Å; Q621-T626 WeakPolarHBondContact CG-OG1 3.41Å
622	L	92.1	Very high	90.8	Very high	10 Å²	10	80.2 Å²	80.2	5%	0.052	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	103.2	173.9	-178	74.7	0	0	0	108.5	L594 V599 D603 L604 E624 H625 L645 L649	L594-L622 HydrophobicContact CD1-CD1 4.5Å; L594-L622 HydrophobicContact CD2-CD1 3.68Å; L594-L622 HydrophobicContact CD2-CD2 3.57Å; L594-L622 HydrophobicContact CD2-CG 4.27Å; V599-L622 HydrophobicContact CG1-CD1 4.08Å; D603-L622 HydrophobicContact CB-CD1 4.03Å; L604-L622 HydrophobicContact CB-CD1 4.49Å; L604-L622 HydrophobicContact CD1-CB 4.12Å; L604-L622 HydrophobicContact CD1-CD1 4.18Å; L622-E624 PolarHBondContact O-N 2.95Å; L622-H625 PolarHBondContact N-O 2.95Å; L622-H625 WeakPolarHBondContact O-CB 3.31Å; L622-H625 PolarHBondContact O-N 3.5Å; L622-L645 HydrophobicContact CB-CD1 4.3Å; L622-L645 HydrophobicContact CB-CD2 3.95Å; L622-L645 HydrophobicContact CD2-CD2 4.39Å; L622-L649 HydrophobicContact CD2-CD1 3.97Å; L622-L649 HydrophobicContact CD2-CD2 4.15Å
623	R	85.6	Confident	91.2	Very high	153 Å²	153	81.8 Å²	81.8	58%	0.577	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	-120.2	-171.5	-55.4	177.6	-177.4	171.7	-0.1	109.9	D603 Q621	D603-R623 IonicContact OD2-CZ 3.26Å; D603-R623 IonicContact OD2-NE 2.82Å; D603-R623 PolarHBondContact OD2-NE 3.28Å; D603-R623 IonicContact OD2-NH2 3.11Å; D603-R623 PolarHBondContact OD2-NH2 3.48Å; Q621-R623 PolarHBondContact NE2-O 3.41Å; Q621-R623 VanDerWaalsContact NE2-O 3.16Å
624	E	86.8	Confident	91.8	Very high	174 Å²	174	73.4 Å²	73.4	81%	0.813	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.5	175.7	-67.4	155.5	-140.8	0	0	113.2	L622 T626	L622-E624 PolarHBondContact O-N 2.95Å; E624-T626 PolarHBondContact O-N 3.29Å
625	H	91.1	Very high	92.5	Very high	73 Å²	73	72.2 Å²	72.2	34%	0.338	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	93.8	-171.2	-65.9	93.4	0	0	0	111.8	Q621 L622 L645	Q621-H625 WeakPolarHBondContact CA-O 3.47Å; L622-H625 PolarHBondContact N-O 2.95Å; L622-H625 WeakPolarHBondContact O-CB 3.31Å; L622-H625 PolarHBondContact O-N 3.5Å; H625-L645 HydrophobicContact CB-CD1 3.6Å
626	T	93.9	Very high	92.8	Very high	66 Å²	66	69.6 Å²	69.6	41%	0.405	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.5	177.9	-56.5	0	0	0	0	111.9	T619 Q621 E624 R648	T619-T626 HydrophobicContact CG2-CG2 3.97Å; Q621-T626 HydrophobicContact CB-CG2 4.45Å; Q621-T626 WeakPolarHBondContact CG-OG1 3.41Å; E624-T626 PolarHBondContact O-N 3.29Å; T626-R648 PolarHBondContact O-NH1 3.25Å
627	V	95.7	Very high	92.8	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.5	-179.4	170.6	0	0	0	0	109.6	T619 L620 V629 H644 L645	T619-V627 CarbonylContact C-O 3.52Å; T619-V627 VanDerWaalsContact CA-O 3.25Å; T619-V627 WeakPolarHBondContact CA-O 3.47Å; T619-V627 WeakPolarHBondContact CG2-O 3.27Å; L620-V627 PolarHBondContact N-O 2.61Å; L620-V627 PolarHBondContact O-N 2.94Å; V627-V629 HydrophobicContact CG1-CG2 3.75Å; V627-H644 HydrophobicContact CG1-CB 3.55Å; V627-H644 HydrophobicContact CG2-CB 4.38Å; V627-L645 HydrophobicContact CG2-CB 4.02Å; V627-L645 HydrophobicContact CG2-CD1 4.17Å
628	K	94.6	Very high	92.9	Very high	132 Å²	132	69.1 Å²	69.1	57%	0.574	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	118.8	177.2	-178	177.3	179.2	179.2	0	110.5	F617 F618	F617-K628 HydrophobicContact CB-CG 4.25Å; F617-K628 HydrophobicContact CD1-CG 4.31Å; F618-K628 WeakPolarHBondContact O-CA 3.36Å
629	V	94.5	Very high	92.9	Very high	20 Å²	20	69 Å²	69	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.7	-173.1	-165.4	0	0	0	0	111.2	F617 F618 V627 L640	F617-V629 CarbonylContact C-O 3.58Å; F617-V629 VanDerWaalsContact CA-O 3.28Å; F617-V629 WeakPolarHBondContact CA-O 3.25Å; F618-V629 PolarHBondContact N-O 2.71Å; F618-V629 PolarHBondContact O-N 3.44Å; V627-V629 HydrophobicContact CG1-CG2 3.75Å; V629-L640 HydrophobicContact CB-CB 4.47Å; V629-L640 HydrophobicContact CG1-CB 3.92Å; V629-L640 HydrophobicContact CG1-CD1 4.19Å
630	R	93.4	Very high	92.9	Very high	164 Å²	164	68.8 Å²	68.8	62%	0.619	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.5	172.7	-178.6	-178.1	174.2	-168.9	-2.9	110.4	H616 F617	H616-R630 WeakPolarHBondContact O-CA 3.36Å; F617-R630 HydrophobicContact CD1-CB 4.27Å; F617-R630 HydrophobicContact CE1-CB 4.08Å
631	C	92.3	Very high	93	Very high	7 Å²	7	68.8 Å²	68.8	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	168.8	-179.9	58.7	0	0	0	0	112.3	H616	H616-C631 PolarHBondContact O-N 3Å
632	K	90.5	Very high	93.1	Very high	161 Å²	161	65.3 Å²	65.3	70%	0.7	29%	0.289	S	S	*	.	S	Bend	trans	-95.6	-34.6	171.9	-51.6	176.6	-160.8	90.3	0	111.3	E636	K632-E636 WeakPolarHBondContact CA-OE2 3.49Å; K632-E636 VanDerWaalsContact CB-OE2 3.24Å; K632-E636 WeakPolarHBondContact CB-OE2 3.46Å; K632-E636 VanDerWaalsContact CG-OE2 3.26Å; K632-E636 WeakPolarHBondContact CG-OE2 3.28Å; K632-E636 PolarHBondContact N-OE2 2.8Å; K632-E636 IonicContact NZ-OE1 3.7Å; K632-E636 PolarHBondContact NZ-OE1 3.47Å; K632-E636 IonicContact NZ-OE2 3.72Å
633	N	91.2	Very high	93.3	Very high	85 Å²	85	64.9 Å²	64.9	46%	0.455	29%	0.287	S	S	.	.	S	Bend	trans	-143.8	168.5	178.6	69.5	37.1	0	0	0	111.8	R635 E636 G637	N633-R635 PolarHBondContact O-N 3.44Å; N633-R635 PolarHBondContact OD1-N 3.48Å; N633-E636 VanDerWaalsContact OD1-CB 3.31Å; N633-E636 WeakPolarHBondContact OD1-CB 3.2Å; N633-E636 PolarHBondContact OD1-N 3.11Å; N633-G637 PolarHBondContact O-N 3.07Å
634	K	92.2	Very high	93.8	Very high	85 Å²	85	61 Å²	61	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-39.2	-176	-171.5	-179.8	165.7	-154.1	0	113.3	E242 M608 F618 G637 R638	E242-K634 WeakPolarHBondContact OE2-CD 3.32Å; E242-K634 IonicContact OE2-NZ 3.5Å; E242-K634 PolarHBondContact OE2-NZ 3.4Å; M608-K634 HydrophobicContact SD-CB 3.68Å; M608-K634 HydrophobicContact SD-CG 4.11Å; F618-K634 HydrophobicContact CE2-CG 4.05Å; K634-G637 PolarHBondContact O-N 3.08Å; K634-R638 WeakPolarHBondContact O-CB 3.48Å; K634-R638 PolarHBondContact O-N 2.91Å
635	R	92.6	Very high	94.2	Very high	75 Å²	75	52.7 Å²	52.7	28%	0.283	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-49.9	179.9	-171.8	-178	-64.5	-121.3	10.8	112.1	E243 G244 E245 Y575 N633 G637 R638 H639	E243-R635 PolarHBondContact O-NH2 3.33Å; G244-R635 VanDerWaalsContact O-CZ 3.31Å; G244-R635 PolarHBondContact O-NH1 3.39Å; G244-R635 PolarHBondContact O-NH2 3.13Å; E245-R635 VanDerWaalsContact CG-NH1 3.27Å; E245-R635 IonicContact OE1-NH1 3.81Å; E245-R635 PolarHBondContact OE1-NH1 3.08Å; Y575-R635 WeakPolarHBondContact OH-CD 3.39Å; N633-R635 PolarHBondContact O-N 3.44Å; N633-R635 PolarHBondContact OD1-N 3.48Å; R635-G637 VanDerWaalsContact C-N 3.3Å; R635-G637 PolarHBondContact O-N 3.48Å; R635-R638 WeakPolarHBondContact O-CB 3.32Å; R635-R638 PolarHBondContact O-N 2.99Å; R635-H639 PolarHBondContact O-CD2 3.38Å; R635-H639 PolarHBondContact O-N 2.96Å
636	E	92.7	Very high	94.4	Very high	51 Å²	51	49.2 Å²	49.2	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-44.4	173.5	-177.6	-173.8	-130	0	0	110.7	K632 N633 R638 H639 L640	K632-E636 WeakPolarHBondContact CA-OE2 3.49Å; K632-E636 VanDerWaalsContact CB-OE2 3.24Å; K632-E636 WeakPolarHBondContact CB-OE2 3.46Å; K632-E636 VanDerWaalsContact CG-OE2 3.26Å; K632-E636 WeakPolarHBondContact CG-OE2 3.28Å; K632-E636 PolarHBondContact N-OE2 2.8Å; K632-E636 IonicContact NZ-OE1 3.7Å; K632-E636 PolarHBondContact NZ-OE1 3.47Å; K632-E636 IonicContact NZ-OE2 3.72Å; N633-E636 VanDerWaalsContact OD1-CB 3.31Å; N633-E636 WeakPolarHBondContact OD1-CB 3.2Å; N633-E636 PolarHBondContact OD1-N 3.11Å; E636-R638 PolarHBondContact O-N 3.45Å; E636-H639 PolarHBondContact O-N 2.95Å; E636-L640 HydrophobicContact CG-CD1 3.77Å; E636-L640 HydrophobicContact CG-CG 4.24Å; E636-L640 WeakPolarHBondContact O-CB 3.23Å; E636-L640 VanDerWaalsContact O-CG 3.27Å; E636-L640 WeakPolarHBondContact O-CG 3.27Å; E636-L640 PolarHBondContact O-N 2.99Å
637	G	94.3	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-48.3	173.8	0	0	0	0	0	113.2	F618 N633 K634 R635 S641	F618-G637 VanDerWaalsContact CB-CA 3.5Å; F618-G637 WeakPolarHBondContact CD1-O 3.38Å; F618-G637 VanDerWaalsContact CG-C 3.47Å; N633-G637 PolarHBondContact O-N 3.07Å; K634-G637 PolarHBondContact O-N 3.08Å; R635-G637 VanDerWaalsContact C-N 3.3Å; R635-G637 PolarHBondContact O-N 3.48Å; G637-S641 WeakPolarHBondContact O-CB 3.39Å; G637-S641 PolarHBondContact O-N 2.86Å; G637-S641 PolarHBondContact O-OG 3.47Å
638	R	95.5	Very high	94.3	Very high	86 Å²	86	53.8 Å²	53.8	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-56	-53.5	175.7	178.6	-176.3	-84.5	175.7	-8.7	111.7	Y587 F618 K634 R635 E636 S641 A642	Y587-R638 HydrophobicContact CD2-CG 3.26Å; Y587-R638 HydrophobicContact CE2-CG 3.76Å; Y587-R638 HydrophobicContact CG-CG 3.71Å; F618-R638 HydrophobicContact CE1-CB 4.29Å; F618-R638 HydrophobicContact CE2-CB 4.38Å; F618-R638 HydrophobicContact CZ-CB 3.96Å; K634-R638 WeakPolarHBondContact O-CB 3.48Å; K634-R638 PolarHBondContact O-N 2.91Å; R635-R638 WeakPolarHBondContact O-CB 3.32Å; R635-R638 PolarHBondContact O-N 2.99Å; E636-R638 PolarHBondContact O-N 3.45Å; R638-S641 PolarHBondContact O-N 3.2Å; R638-S641 PolarHBondContact O-OG 3.11Å; R638-A642 WeakPolarHBondContact O-CB 3.45Å; R638-A642 PolarHBondContact O-N 3.45Å
639	H	96.6	Very high	94.2	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-70.2	-39.9	-176.7	-60.2	-63.9	0	0	0	113.6	Y575 T585 P586 Y587 R635 E636 A642 Q643	Y575-H639 HydrophobicContact CD2-CB 4.14Å; Y575-H639 AromaticContact CD2-CD2 3.2Å; Y575-H639 WeakPolarHBondContact CD2-CD2 3.28Å; Y575-H639 AromaticContact CD2-CE1 3.9Å; Y575-H639 AromaticContact CD2-CG 3.48Å; Y575-H639 VanDerWaalsContact CD2-CG 3.48Å; Y575-H639 AromaticContact CD2-ND1 3.89Å; Y575-H639 AromaticContact CD2-NE2 3.53Å; Y575-H639 AromaticContact CE2-CD2 3.36Å; Y575-H639 WeakPolarHBondContact CE2-CD2 3.46Å; Y575-H639 AromaticContact CE2-CE1 3.85Å; Y575-H639 AromaticContact CE2-NE2 3.25Å; Y575-H639 WeakPolarHBondContact CE2-NE2 3.38Å; Y575-H639 HydrophobicContact CG-CB 4.42Å; Y575-H639 AromaticContact CG-CD2 3.96Å; T585-H639 PolarHBondContact OG1-CE1 3.4Å; P586-H639 HydrophobicContact CB-CB 4.45Å; Y587-H639 WeakPolarHBondContact CB-ND1 3.28Å; Y587-H639 PolarHBondContact N-ND1 3.04Å; R635-H639 PolarHBondContact O-CD2 3.38Å; R635-H639 PolarHBondContact O-N 2.96Å; E636-H639 PolarHBondContact O-N 2.95Å; H639-A642 PolarHBondContact O-N 3.33Å; H639-Q643 WeakPolarHBondContact O-CG 3.49Å; H639-Q643 PolarHBondContact O-N 3Å
640	L	96.2	Very high	94.1	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-38	175.9	-64.9	176.9	0	0	0	111.8	P572 V629 E636 Q643 H644	P572-L640 HydrophobicContact CB-CD2 4.02Å; V629-L640 HydrophobicContact CB-CB 4.47Å; V629-L640 HydrophobicContact CG1-CB 3.92Å; V629-L640 HydrophobicContact CG1-CD1 4.19Å; E636-L640 HydrophobicContact CG-CD1 3.77Å; E636-L640 HydrophobicContact CG-CG 4.24Å; E636-L640 WeakPolarHBondContact O-CB 3.23Å; E636-L640 VanDerWaalsContact O-CG 3.27Å; E636-L640 WeakPolarHBondContact O-CG 3.27Å; E636-L640 PolarHBondContact O-N 2.99Å; L640-Q643 WeakPolarHBondContact O-CB 3.49Å; L640-Q643 PolarHBondContact O-N 3.5Å; L640-H644 PolarHBondContact O-CD2 3.38Å; L640-H644 VanDerWaalsContact O-CD2 3.28Å; L640-H644 PolarHBondContact O-N 2.94Å; L640-H644 VanDerWaalsContact O-N 3.16Å
641	S	96.3	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-35.3	175.4	68.6	0	0	0	0	112.1	F618 G637 R638 H644 L645	F618-S641 VanDerWaalsContact CD1-OG 3.23Å; F618-S641 WeakPolarHBondContact CD1-OG 3.41Å; F618-S641 WeakPolarHBondContact CE1-OG 3.43Å; G637-S641 WeakPolarHBondContact O-CB 3.39Å; G637-S641 PolarHBondContact O-N 2.86Å; G637-S641 PolarHBondContact O-OG 3.47Å; R638-S641 PolarHBondContact O-N 3.2Å; R638-S641 PolarHBondContact O-OG 3.11Å; S641-H644 PolarHBondContact O-N 3.03Å; S641-L645 WeakPolarHBondContact O-CB 3.48Å; S641-L645 PolarHBondContact O-N 2.94Å
642	A	96.8	Very high	93.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-40.5	173.5	0	0	0	0	0	113	P586 Y587 L590 L620 R638 H639 L645 L646	P586-A642 VanDerWaalsContact O-CB 3.28Å; P586-A642 WeakPolarHBondContact O-CB 3.45Å; Y587-A642 HydrophobicContact CD2-CB 4.35Å; L590-A642 HydrophobicContact CB-CB 4.19Å; L590-A642 HydrophobicContact CD2-CB 3.8Å; L620-A642 HydrophobicContact CD2-CB 4.39Å; R638-A642 WeakPolarHBondContact O-CB 3.45Å; R638-A642 PolarHBondContact O-N 3.45Å; H639-A642 PolarHBondContact O-N 3.33Å; A642-L645 PolarHBondContact O-N 3.25Å; A642-L646 WeakPolarHBondContact O-CB 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.42Å; A642-L646 PolarHBondContact O-N 3.27Å
643	Q	96.2	Very high	94	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-55	-52.7	170.8	-72.6	168.6	-1.8	0	0	111.8	V569 D571 P586 H639 L640 L645 L646 A647	V569-Q643 WeakPolarHBondContact O-CB 3.46Å; V569-Q643 WeakPolarHBondContact O-CG 3.44Å; D571-Q643 PolarHBondContact O-NE2 3.17Å; D571-Q643 VanDerWaalsContact O-NE2 3.13Å; P586-Q643 HydrophobicContact CB-CG 3.78Å; P586-Q643 HydrophobicContact CG-CG 4.08Å; H639-Q643 WeakPolarHBondContact O-CG 3.49Å; H639-Q643 PolarHBondContact O-N 3Å; L640-Q643 WeakPolarHBondContact O-CB 3.49Å; L640-Q643 PolarHBondContact O-N 3.5Å; Q643-L645 PolarHBondContact O-N 3.31Å; Q643-L646 PolarHBondContact O-N 2.67Å; Q643-A647 WeakPolarHBondContact O-CB 3.5Å; Q643-A647 PolarHBondContact O-N 3.17Å
644	H	96.1	Very high	94	Very high	72 Å²	72	47.9 Å²	47.9	33%	0.333	23%	0.232	S	C	.	.	H	α-helix	trans	-69.6	-19.3	-179.4	-79.6	-68.4	0	0	0	113.7	V627 L640 S641 R648	V627-H644 HydrophobicContact CG1-CB 3.55Å; V627-H644 HydrophobicContact CG2-CB 4.38Å; L640-H644 PolarHBondContact O-CD2 3.38Å; L640-H644 VanDerWaalsContact O-CD2 3.28Å; L640-H644 PolarHBondContact O-N 2.94Å; L640-H644 VanDerWaalsContact O-N 3.16Å; S641-H644 PolarHBondContact O-N 3.03Å; H644-R648 WeakPolarHBondContact O-CG 3.37Å
645	L	95.3	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-82.1	-46.2	172.1	-175.5	56.9	0	0	0	111.1	L590 L604 L620 L622 H625 V627 S641 A642 Q643 A647 R648 L649	L590-L645 HydrophobicContact CD1-CD2 4.05Å; L590-L645 HydrophobicContact CD1-CG 4.27Å; L590-L645 HydrophobicContact CD2-CD2 3.91Å; L604-L645 HydrophobicContact CD1-CD2 3.77Å; L620-L645 HydrophobicContact CD2-CB 4.36Å; L620-L645 HydrophobicContact CD2-CD2 3.71Å; L620-L645 HydrophobicContact CG-CD2 4.03Å; L622-L645 HydrophobicContact CB-CD1 4.3Å; L622-L645 HydrophobicContact CB-CD2 3.95Å; L622-L645 HydrophobicContact CD2-CD2 4.39Å; H625-L645 HydrophobicContact CB-CD1 3.6Å; V627-L645 HydrophobicContact CG2-CB 4.02Å; V627-L645 HydrophobicContact CG2-CD1 4.17Å; S641-L645 WeakPolarHBondContact O-CB 3.48Å; S641-L645 PolarHBondContact O-N 2.94Å; A642-L645 PolarHBondContact O-N 3.25Å; Q643-L645 PolarHBondContact O-N 3.31Å; L645-A647 VanDerWaalsContact C-N 3.3Å; L645-A647 PolarHBondContact O-N 3.03Å; L645-R648 WeakPolarHBondContact O-CA 3.46Å; L645-R648 WeakPolarHBondContact O-CB 3.27Å; L645-R648 PolarHBondContact O-N 3.22Å; L645-L649 HydrophobicContact CG-CD1 4.23Å; L645-L649 WeakPolarHBondContact O-CG 3.23Å; L645-L649 PolarHBondContact O-N 3.09Å
646	L	95.3	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.2	-43.5	172.6	-76.9	166.5	0	0	0	111.7	V569 L589 L590 C593 A642 Q643 R648 L649 H650 W656 L659	V569-L646 HydrophobicContact CG1-CB 4.3Å; L589-L646 HydrophobicContact CB-CD1 4.48Å; L590-L646 HydrophobicContact CB-CD1 4.21Å; L590-L646 HydrophobicContact CB-CD2 4.4Å; L590-L646 HydrophobicContact CB-CG 4.21Å; L590-L646 HydrophobicContact CD1-CD2 4.15Å; L590-L646 HydrophobicContact CD1-CG 4.21Å; C593-L646 HydrophobicContact CB-CD2 4.18Å; A642-L646 WeakPolarHBondContact O-CB 3.28Å; A642-L646 WeakPolarHBondContact O-CG 3.42Å; A642-L646 PolarHBondContact O-N 3.27Å; Q643-L646 PolarHBondContact O-N 2.67Å; L646-R648 PolarHBondContact O-N 2.94Å; L646-R648 VanDerWaalsContact O-N 3.11Å; L646-L649 PolarHBondContact O-N 3.5Å; L646-H650 PolarHBondContact O-N 2.96Å; L646-W656 HydrophobicContact CD1-CH2 3.93Å; L646-W656 HydrophobicContact CD1-CZ3 3.96Å; L646-L659 HydrophobicContact CB-CD1 3.88Å; L646-L659 HydrophobicContact CD1-CD1 4.24Å; L646-L659 HydrophobicContact CG-CD1 4.47Å
647	A	94.9	Very high	93.9	Very high	33 Å²	33	39.5 Å²	39.5	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-65.8	-7.9	175.1	0	0	0	0	0	114.9	V569 T570 Q643 L645	V569-A647 HydrophobicContact CB-CB 4.33Å; V569-A647 HydrophobicContact CG1-CB 3.81Å; T570-A647 HydrophobicContact CG2-CB 3.96Å; Q643-A647 WeakPolarHBondContact O-CB 3.5Å; Q643-A647 PolarHBondContact O-N 3.17Å; L645-A647 VanDerWaalsContact C-N 3.3Å; L645-A647 PolarHBondContact O-N 3.03Å
648	R	93.6	Very high	93.8	Very high	133 Å²	133	40.2 Å²	40.2	50%	0.502	21%	0.207	S	C	.	.	H	α-helix	trans	-105.2	-28.7	172.7	-76.5	175.1	167.3	178.1	-7.8	112.9	T626 H644 L645 L646 H650	T626-R648 PolarHBondContact O-NH1 3.25Å; H644-R648 WeakPolarHBondContact O-CG 3.37Å; L645-R648 WeakPolarHBondContact O-CA 3.46Å; L645-R648 WeakPolarHBondContact O-CB 3.27Å; L645-R648 PolarHBondContact O-N 3.22Å; L646-R648 PolarHBondContact O-N 2.94Å; L646-R648 VanDerWaalsContact O-N 3.11Å; R648-H650 VanDerWaalsContact C-N 3.33Å
649	L	92.2	Very high	93.6	Very high	49 Å²	49	36.1 Å²	36.1	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-73.8	-27.9	171	-64.4	173.2	0	0	0	112	L590 L622 L645 L646 P651	L590-L649 HydrophobicContact CD1-CD1 4.05Å; L622-L649 HydrophobicContact CD2-CD1 3.97Å; L622-L649 HydrophobicContact CD2-CD2 4.15Å; L645-L649 HydrophobicContact CG-CD1 4.23Å; L645-L649 WeakPolarHBondContact O-CG 3.23Å; L645-L649 PolarHBondContact O-N 3.09Å; L646-L649 PolarHBondContact O-N 3.5Å; L649-P651 VanDerWaalsContact C-CD 3.5Å
650	H	92.2	Very high	93.3	Very high	19 Å²	19	36.1 Å²	36.1	9%	0.088	19%	0.192	C	C	.	.			trans	-125.7	67.2	-179.6	-63.4	-69.1	0	0	0	112.2	L646 R648 E652 V653 L659 Y663	L646-H650 PolarHBondContact O-N 2.96Å; R648-H650 VanDerWaalsContact C-N 3.33Å; H650-E652 VanDerWaalsContact C-OE2 3.28Å; H650-E652 WeakPolarHBondContact CA-OE1 3.38Å; H650-E652 VanDerWaalsContact CA-OE2 3.31Å; H650-E652 WeakPolarHBondContact CA-OE2 3.27Å; H650-E652 WeakPolarHBondContact CB-OE1 3.4Å; H650-E652 IonicContact CG-OE1 3.4Å; H650-E652 IonicContact ND1-OE1 3.59Å; H650-E652 PolarHBondContact ND1-OE1 3.22Å; H650-E652 PolarHBondContact O-N 3.05Å; H650-V653 HydrophobicContact CB-CB 4.12Å; H650-V653 HydrophobicContact CB-CG2 4.41Å; H650-V653 PolarHBondContact O-N 3.06Å; H650-L659 HydrophobicContact CB-CD2 3.93Å; H650-Y663 AromaticContact CE1-CE2 3.76Å; H650-Y663 AromaticContact CE1-CZ 3.92Å; H650-Y663 PolarHBondContact CE1-OH 3.4Å; H650-Y663 AromaticContact NE2-CE2 3.4Å; H650-Y663 WeakPolarHBondContact NE2-CE2 3.47Å; H650-Y663 AromaticContact NE2-CZ 3.72Å; H650-Y663 PolarHBondContact NE2-OH 2.76Å
651	P	90.8	Very high	92.9	Very high	111 Å²	111	40.4 Å²	40.4	72%	0.721	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	175.3	27.3	-36.2	0	0	0	113.2	L649	L649-P651 VanDerWaalsContact C-CD 3.5Å
652	E	91.4	Very high	92.6	Very high	121 Å²	121	43.6 Å²	43.6	57%	0.565	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.1	175.2	75.2	-64.5	159.6	0	0	114.2	H650	H650-E652 VanDerWaalsContact C-OE2 3.28Å; H650-E652 WeakPolarHBondContact CA-OE1 3.38Å; H650-E652 VanDerWaalsContact CA-OE2 3.31Å; H650-E652 WeakPolarHBondContact CA-OE2 3.27Å; H650-E652 WeakPolarHBondContact CB-OE1 3.4Å; H650-E652 IonicContact CG-OE1 3.4Å; H650-E652 IonicContact ND1-OE1 3.59Å; H650-E652 PolarHBondContact ND1-OE1 3.22Å; H650-E652 PolarHBondContact O-N 3.05Å
653	V	91.9	Very high	92.2	Very high	21 Å²	21	45.1 Å²	45.1	13%	0.127	23%	0.228	C	C	.	.			trans	-115.7	99.9	-177.4	-175.9	0	0	0	0	111.9	V569 H650 T655 L659 M662	V569-V653 WeakPolarHBondContact CG2-O 3.49Å; H650-V653 HydrophobicContact CB-CB 4.12Å; H650-V653 HydrophobicContact CB-CG2 4.41Å; H650-V653 PolarHBondContact O-N 3.06Å; V653-T655 WeakPolarHBondContact CG1-O 3.37Å; V653-L659 HydrophobicContact CB-CD2 4.09Å; V653-L659 HydrophobicContact CG1-CD2 3.92Å; V653-L659 HydrophobicContact CG1-CG 3.96Å; V653-M662 HydrophobicContact CB-CE 4.31Å; V653-M662 HydrophobicContact CG2-CE 3.55Å; V653-M662 HydrophobicContact CG2-SD 4.25Å
654	N	91	Very high	91.7	Very high	124 Å²	124	45.3 Å²	45.3	66%	0.663	23%	0.23	S	C	*	.			trans	-83.8	-20.7	178.9	60.8	3.3	0	0	0	114.6	S568 V569	S568-N654 VanDerWaalsContact CA-O 3.27Å; S568-N654 WeakPolarHBondContact CA-O 3.27Å; V569-N654 PolarHBondContact N-O 3.39Å
655	T	93.3	Very high	90.8	Very high	35 Å²	35	43.3 Å²	43.3	22%	0.215	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-106.9	143.7	-174.4	45.7	0	0	0	0	112.9	D565 I567 V653 S657 G658 L659	D565-T655 WeakPolarHBondContact O-CG2 3.49Å; I567-T655 WeakPolarHBondContact O-CA 3.4Å; V653-T655 WeakPolarHBondContact CG1-O 3.37Å; T655-S657 VanDerWaalsContact C-N 3.3Å; T655-S657 PolarHBondContact O-N 2.99Å; T655-G658 PolarHBondContact O-N 3.12Å; T655-L659 PolarHBondContact O-N 2.87Å
656	W	92.7	Very high	89.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-31.6	179.2	-170.6	-106.3	0	0	0	112.8	F564 I567 V569 L574 P586 L589 L646 G658 L659 L660	F564-W656 HydrophobicContact CB-CB 4.25Å; F564-W656 HydrophobicContact CD1-CB 4.27Å; F564-W656 AromaticContact CD1-CD1 3.44Å; F564-W656 VanDerWaalsContact CD1-CD1 3.44Å; F564-W656 HydrophobicContact CD1-CG 4.16Å; F564-W656 AromaticContact CE1-CD1 3.89Å; F564-W656 AromaticContact CG-CD1 3.94Å; I567-W656 PolarHBondContact O-N 2.93Å; V569-W656 HydrophobicContact CB-CE3 4.46Å; V569-W656 HydrophobicContact CG1-CE3 4.17Å; V569-W656 HydrophobicContact CG1-CZ3 4.21Å; V569-W656 HydrophobicContact CG2-CE3 4.43Å; L574-W656 HydrophobicContact CD1-CB 4.05Å; L574-W656 HydrophobicContact CD1-CD2 3.69Å; L574-W656 HydrophobicContact CD1-CE3 3.62Å; L574-W656 HydrophobicContact CD1-CG 3.89Å; L574-W656 HydrophobicContact CD1-CZ3 4.38Å; L574-W656 HydrophobicContact CD2-CB 3.67Å; L574-W656 HydrophobicContact CD2-CD2 3.9Å; L574-W656 HydrophobicContact CD2-CG 3.38Å; L574-W656 HydrophobicContact CG-CD2 4.35Å; L574-W656 HydrophobicContact CG-CG 4.26Å; P586-W656 HydrophobicContact CB-CH2 3.69Å; P586-W656 HydrophobicContact CB-CZ2 4.19Å; P586-W656 HydrophobicContact CB-CZ3 4.4Å; P586-W656 HydrophobicContact CG-CH2 3.93Å; P586-W656 HydrophobicContact CG-CZ2 3.98Å; L589-W656 HydrophobicContact CB-CH2 4.22Å; L589-W656 HydrophobicContact CB-CZ2 4.36Å; L589-W656 HydrophobicContact CD2-CH2 3.47Å; L589-W656 VanDerWaalsContact CD2-CH2 3.47Å; L589-W656 HydrophobicContact CD2-CZ2 3.51Å; L589-W656 HydrophobicContact CD2-CZ3 4.17Å; L589-W656 HydrophobicContact CG-CH2 4.48Å; L646-W656 HydrophobicContact CD1-CH2 3.93Å; L646-W656 HydrophobicContact CD1-CZ3 3.96Å; W656-G658 VanDerWaalsContact C-N 3.28Å; W656-G658 PolarHBondContact O-N 3.05Å; W656-L659 HydrophobicContact CE3-CD1 3.83Å; W656-L659 HydrophobicContact CZ3-CD1 3.66Å; W656-L659 PolarHBondContact O-N 3.28Å; W656-L660 VanDerWaalsContact CD1-CD1 3.5Å; W656-L660 WeakPolarHBondContact O-CG 3.49Å; W656-L660 PolarHBondContact O-N 3.35Å
657	S	90	Very high	89	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-30.7	173.4	59.3	0	0	0	0	113.2	M561 D565 T655 L660 R661	M561-S657 VanDerWaalsContact O-CB 3.28Å; M561-S657 WeakPolarHBondContact O-CB 3.39Å; D565-S657 WeakPolarHBondContact CA-OG 3.34Å; D565-S657 WeakPolarHBondContact OD1-CB 3.35Å; D565-S657 PolarHBondContact OD1-OG 2.89Å; T655-S657 VanDerWaalsContact C-N 3.3Å; T655-S657 PolarHBondContact O-N 2.99Å; S657-L660 PolarHBondContact O-N 2.85Å; S657-R661 WeakPolarHBondContact O-CG 3.3Å; S657-R661 PolarHBondContact O-N 2.86Å; S657-R661 PolarHBondContact O-NE 3.34Å; S657-R661 PolarHBondContact OG-NH2 2.95Å; S657-R661 VanDerWaalsContact OG-NH2 3.08Å
658	G	90.9	Very high	87.8	Confident	14 Å²	14	50.7 Å²	50.7	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-48.6	171.8	0	0	0	0	0	111.8	T655 W656 L660 R661 M662	T655-G658 PolarHBondContact O-N 3.12Å; W656-G658 VanDerWaalsContact C-N 3.28Å; W656-G658 PolarHBondContact O-N 3.05Å; G658-L660 VanDerWaalsContact C-N 3.31Å; G658-L660 PolarHBondContact O-N 2.84Å; G658-R661 PolarHBondContact O-N 2.92Å; G658-M662 PolarHBondContact O-N 3.43Å
659	L	92	Very high	86.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-35.8	175.6	-64	-175.5	0	0	0	112.3	V569 L589 L646 H650 V653 T655 W656 M662 Y663	V569-L659 HydrophobicContact CB-CD1 4.2Å; V569-L659 HydrophobicContact CG1-CD1 3.52Å; V569-L659 HydrophobicContact CG2-CD1 3.55Å; V569-L659 HydrophobicContact CG2-CG 3.95Å; L589-L659 HydrophobicContact CD2-CB 3.81Å; L646-L659 HydrophobicContact CB-CD1 3.88Å; L646-L659 HydrophobicContact CD1-CD1 4.24Å; L646-L659 HydrophobicContact CG-CD1 4.47Å; H650-L659 HydrophobicContact CB-CD2 3.93Å; V653-L659 HydrophobicContact CB-CD2 4.09Å; V653-L659 HydrophobicContact CG1-CD2 3.92Å; V653-L659 HydrophobicContact CG1-CG 3.96Å; T655-L659 PolarHBondContact O-N 2.87Å; W656-L659 HydrophobicContact CE3-CD1 3.83Å; W656-L659 HydrophobicContact CZ3-CD1 3.66Å; W656-L659 PolarHBondContact O-N 3.28Å; L659-M662 HydrophobicContact CD2-CE 3.68Å; L659-M662 PolarHBondContact O-N 2.89Å; L659-Y663 PolarHBondContact O-N 2.88Å
660	L	90.3	Very high	84.6	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-37.2	173.5	-73.2	171.6	0	0	0	112.5	F564 L583 L589 W656 S657 G658 M662 G664	F564-L660 HydrophobicContact CB-CD1 4.49Å; F564-L660 HydrophobicContact CD2-CD1 4.11Å; F564-L660 HydrophobicContact CG-CD1 4.22Å; L583-L660 HydrophobicContact CD1-CD1 3.92Å; L589-L660 HydrophobicContact CD1-CD2 4.41Å; L589-L660 HydrophobicContact CD2-CD2 4.42Å; W656-L660 VanDerWaalsContact CD1-CD1 3.5Å; W656-L660 WeakPolarHBondContact O-CG 3.49Å; W656-L660 PolarHBondContact O-N 3.35Å; S657-L660 PolarHBondContact O-N 2.85Å; G658-L660 VanDerWaalsContact C-N 3.31Å; G658-L660 PolarHBondContact O-N 2.84Å; L660-M662 VanDerWaalsContact C-N 3.34Å; L660-G664 WeakPolarHBondContact O-CA 3.4Å; L660-G664 PolarHBondContact O-N 3.06Å
661	R	88.9	Confident	83	Confident	110 Å²	110	57.4 Å²	57.4	42%	0.415	32%	0.316	S	S	.	.	H	α-helix	trans	-69.4	-30.4	173.8	-78.4	-178.6	-79.3	-112.4	0.6	112.8	M561 D565 S657 G658 S667	M561-R661 HydrophobicContact CE-CG 4.02Å; M561-R661 HydrophobicContact SD-CG 3.66Å; D565-R661 IonicContact OD1-CZ 3.33Å; D565-R661 IonicContact OD1-NH1 2.99Å; D565-R661 IonicContact OD1-NH2 2.72Å; D565-R661 PolarHBondContact OD1-NH2 2.81Å; S657-R661 WeakPolarHBondContact O-CG 3.3Å; S657-R661 PolarHBondContact O-N 2.86Å; S657-R661 PolarHBondContact O-NE 3.34Å; S657-R661 PolarHBondContact OG-NH2 2.95Å; S657-R661 VanDerWaalsContact OG-NH2 3.08Å; G658-R661 PolarHBondContact O-N 2.92Å; R661-S667 VanDerWaalsContact O-CB 3.29Å; R661-S667 WeakPolarHBondContact O-CB 3.27Å
662	M	88.4	Confident	81.4	Confident	67 Å²	67	61.1 Å²	61.1	33%	0.33	32%	0.316	S	S	.	.	H	α-helix	trans	-81.3	-38.9	175.9	-66.1	-165.4	-56.2	0	0	114.2	R596 V653 G658 L659 L660 S667	R596-M662 PolarHBondContact NH1-O 2.85Å; V653-M662 HydrophobicContact CB-CE 4.31Å; V653-M662 HydrophobicContact CG2-CE 3.55Å; V653-M662 HydrophobicContact CG2-SD 4.25Å; G658-M662 PolarHBondContact O-N 3.43Å; L659-M662 HydrophobicContact CD2-CE 3.68Å; L659-M662 PolarHBondContact O-N 2.89Å; L660-M662 VanDerWaalsContact C-N 3.34Å; M662-S667 PolarHBondContact O-OG 2.66Å
663	Y	89.8	Confident	79.8	Confident	33 Å²	33	59.7 Å²	59.7	13%	0.129	31%	0.313	C	S	.	.	H	α-helix	trans	-126.2	-8.1	-169.3	-63.3	-70.2	0	0	0	115.3	E592 C593 R596 H650 L659 S667	E592-Y663 VanDerWaalsContact CG-O 3.31Å; E592-Y663 WeakPolarHBondContact CG-O 3.32Å; C593-Y663 HydrophobicContact CB-CD1 4Å; C593-Y663 HydrophobicContact CB-CD2 4.31Å; C593-Y663 HydrophobicContact CB-CE1 3.87Å; C593-Y663 HydrophobicContact CB-CE2 4.18Å; C593-Y663 HydrophobicContact CB-CG 4.23Å; R596-Y663 HydrophobicContact CB-CE1 4.4Å; R596-Y663 PolarHBondContact NH2-O 3.22Å; H650-Y663 AromaticContact CE1-CE2 3.76Å; H650-Y663 AromaticContact CE1-CZ 3.92Å; H650-Y663 PolarHBondContact CE1-OH 3.4Å; H650-Y663 AromaticContact NE2-CE2 3.4Å; H650-Y663 WeakPolarHBondContact NE2-CE2 3.47Å; H650-Y663 AromaticContact NE2-CZ 3.72Å; H650-Y663 PolarHBondContact NE2-OH 2.76Å; L659-Y663 PolarHBondContact O-N 2.88Å; Y663-S667 WeakPolarHBondContact CA-OG 3.33Å
664	G	85.5	Confident	78.3	Confident	4 Å²	4	62.9 Å²	62.9	4%	0.041	33%	0.326	C	S	.	.	S	Bend	trans	-76.6	-176.5	-176.6	0	0	0	0	0	115.3	L660 G666 S667	L660-G664 WeakPolarHBondContact O-CA 3.4Å; L660-G664 PolarHBondContact O-N 3.06Å; G664-G666 PolarHBondContact O-N 3.07Å; G664-S667 PolarHBondContact N-OG 3.06Å; G664-S667 WeakPolarHBondContact O-CB 3.41Å; G664-S667 PolarHBondContact O-N 2.88Å; G664-S667 VanDerWaalsContact O-N 3.15Å; G664-S667 PolarHBondContact O-OG 3.11Å
665	P	76.6	Confident	77.1	Confident	30 Å²	30	62.6 Å²	62.6	20%	0.195	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	135.4	178.9	-20.5	33.9	0	0	0	111.2	P584 S667	P584-P665 HydrophobicContact CG-CG 4.11Å; P665-S667 VanDerWaalsContact C-N 3.31Å; P665-S667 PolarHBondContact O-N 3.22Å
666	G	74.7	Confident	75.8	Confident	62 Å²	62	65.9 Å²	65.9	64%	0.639	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-11.1	-176.1	0	0	0	0	0	115.7	G664	G664-G666 PolarHBondContact O-N 3.07Å
667	S	78.7	Confident	74.5	Confident	35 Å²	35	69.4 Å²	69.4	25%	0.245	36%	0.359	C	S	.	.			trans	-84.8	-5.2	175.4	69	0	0	0	0	114.4	R596 R661 M662 Y663 G664 P665	R596-S667 PolarHBondContact NH1-O 3.46Å; R596-S667 PolarHBondContact NH1-OG 2.9Å; R596-S667 PolarHBondContact NH2-OG 3.26Å; R661-S667 VanDerWaalsContact O-CB 3.29Å; R661-S667 WeakPolarHBondContact O-CB 3.27Å; M662-S667 PolarHBondContact O-OG 2.66Å; Y663-S667 WeakPolarHBondContact CA-OG 3.33Å; G664-S667 PolarHBondContact N-OG 3.06Å; G664-S667 WeakPolarHBondContact O-CB 3.41Å; G664-S667 PolarHBondContact O-N 2.88Å; G664-S667 VanDerWaalsContact O-N 3.15Å; G664-S667 PolarHBondContact O-OG 3.11Å; P665-S667 VanDerWaalsContact C-N 3.31Å; P665-S667 PolarHBondContact O-N 3.22Å
668	K	70	Confident	73.5	Confident	92 Å²	92	73.5 Å²	73.5	40%	0.4	38%	0.38	S	S	.	.	S	Bend	trans	-84.4	150.1	166.1	-63.8	-177.8	-173.6	-77.3	0	108.9	E592	E592-K668 VanDerWaalsContact OE1-CE 3.23Å; E592-K668 WeakPolarHBondContact OE1-CE 3.45Å; E592-K668 IonicContact OE1-NZ 3.71Å; E592-K668 PolarHBondContact OE1-NZ 2.91Å; E592-K668 WeakPolarHBondContact OE2-CE 3.46Å; E592-K668 IonicContact OE2-NZ 2.66Å; E592-K668 PolarHBondContact OE2-NZ 2.96Å
669	P	59.5	Low	72.7	Confident	93 Å²	93	79.1 Å²	79.1	60%	0.604	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-56.1	145.9	155.6	29.1	-34.9	0	0	0	109.4	K671	P669-K671 PolarHBondContact O-N 2.79Å
670	D	57.2	Low	71.6	Confident	108 Å²	108	83 Å²	83	58%	0.578	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-65.6	126.2	-173.3	-121.7	-44.6	0	0	0	111.3	R672 N673 E674	D670-R672 PolarHBondContact O-N 2.91Å; D670-N673 HydrophobicContact CB-CB 4.25Å; D670-N673 CarbonylContact O-C 3.59Å; D670-N673 WeakPolarHBondContact O-CA 3.5Å; D670-N673 WeakPolarHBondContact O-CB 3.4Å; D670-N673 PolarHBondContact O-N 3.14Å; D670-E674 PolarHBondContact O-N 3.09Å
671	K	60.3	Low	70.4	Confident	140 Å²	140	85.1 Å²	85.1	61%	0.609	44%	0.441	S	S	*	.	H	α-helix	trans	-58.4	-24.2	177.3	-80.2	-163.3	168.6	-165.7	0	112.8	P669 L675	P669-K671 PolarHBondContact O-N 2.79Å; K671-L675 WeakPolarHBondContact O-CB 3.48Å; K671-L675 WeakPolarHBondContact O-CG 3.44Å; K671-L675 PolarHBondContact O-N 2.89Å
672	R	56.7	Low	69.4	Low	190 Å²	190	87.1 Å²	87.1	72%	0.717	46%	0.455	S	S	*	.	H	α-helix	trans	-64.2	-51.3	171.2	-174.6	174.1	-176.4	147.4	2.8	110.7	D670 E674 L675 E676	D670-R672 PolarHBondContact O-N 2.91Å; R672-E674 VanDerWaalsContact C-N 3.29Å; R672-E674 PolarHBondContact O-N 3.19Å; R672-L675 PolarHBondContact O-N 3.03Å; R672-E676 VanDerWaalsContact O-CB 3.29Å; R672-E676 WeakPolarHBondContact O-CB 3.49Å; R672-E676 PolarHBondContact O-N 3.05Å
673	N	58.2	Low	68.5	Low	91 Å²	91	89.2 Å²	89.2	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-64.6	-33.4	176.8	-60.2	10.1	0	0	0	111.5	D670 T677	D670-N673 HydrophobicContact CB-CB 4.25Å; D670-N673 CarbonylContact O-C 3.59Å; D670-N673 WeakPolarHBondContact O-CA 3.5Å; D670-N673 WeakPolarHBondContact O-CB 3.4Å; D670-N673 PolarHBondContact O-N 3.14Å; N673-T677 WeakPolarHBondContact O-CB 3.26Å; N673-T677 PolarHBondContact O-N 3.23Å; N673-T677 PolarHBondContact O-OG1 2.59Å
674	E	60.2	Low	67.2	Low	87 Å²	87	92 Å²	92	41%	0.407	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-51.9	171.6	-66.8	-176.3	148.7	0	0	111.4	D670 R672 E676 T677 I678	D670-E674 PolarHBondContact O-N 3.09Å; R672-E674 VanDerWaalsContact C-N 3.29Å; R672-E674 PolarHBondContact O-N 3.19Å; E674-E676 PolarHBondContact O-N 3.47Å; E674-T677 PolarHBondContact O-N 3.44Å; E674-I678 WeakPolarHBondContact O-CB 3.44Å; E674-I678 WeakPolarHBondContact O-CD1 3.41Å; E674-I678 WeakPolarHBondContact O-CG1 3.27Å; E674-I678 PolarHBondContact O-N 3.31Å
675	L	65.3	Low	65.9	Low	119 Å²	119	99.5 Å²	99.5	62%	0.623	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-41.5	178.4	-74.9	170.8	0	0	0	112.3	K671 R672 I678 Q679	K671-L675 WeakPolarHBondContact O-CB 3.48Å; K671-L675 WeakPolarHBondContact O-CG 3.44Å; K671-L675 PolarHBondContact O-N 2.89Å; R672-L675 PolarHBondContact O-N 3.03Å; L675-I678 PolarHBondContact O-N 3.39Å; L675-Q679 VanDerWaalsContact O-CB 3.31Å; L675-Q679 WeakPolarHBondContact O-CB 3.41Å; L675-Q679 PolarHBondContact O-N 2.92Å
676	E	66.2	Low	65.1	Low	103 Å²	103	108.9 Å²	108.9	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-64.8	-46.7	176	-166.3	159.6	-166.7	0	0	110.7	R672 E674 I678 Q679 D680	R672-E676 VanDerWaalsContact O-CB 3.29Å; R672-E676 WeakPolarHBondContact O-CB 3.49Å; R672-E676 PolarHBondContact O-N 3.05Å; E674-E676 PolarHBondContact O-N 3.47Å; E676-I678 VanDerWaalsContact C-N 3.29Å; E676-I678 PolarHBondContact O-N 2.95Å; E676-Q679 PolarHBondContact O-N 3.36Å; E676-D680 WeakPolarHBondContact O-CB 3.24Å; E676-D680 PolarHBondContact O-N 2.98Å
677	T	65.7	Low	64.3	Low	75 Å²	75	110.4 Å²	110.4	46%	0.46	56%	0.558	S	S	.	*	H	α-helix	trans	-63.4	-31.2	175.2	-61.2	0	0	0	0	113.2	N673 E674 A681 K690	N673-T677 WeakPolarHBondContact O-CB 3.26Å; N673-T677 PolarHBondContact O-N 3.23Å; N673-T677 PolarHBondContact O-OG1 2.59Å; E674-T677 PolarHBondContact O-N 3.44Å; T677-A681 VanDerWaalsContact O-CB 3.26Å; T677-A681 WeakPolarHBondContact O-CB 3.4Å; T677-A681 PolarHBondContact O-N 3.47Å; T677-A681 VanDerWaalsContact O-N 3.08Å; T677-K690 PolarHBondContact O-NZ 2.71Å
678	I	68.8	Low	63.5	Low	86 Å²	86	111.4 Å²	111.4	44%	0.441	57%	0.569	S	S	.	*	H	α-helix	trans	-74.8	-45.1	174.2	-73.9	160.6	0	0	0	110.5	E674 L675 E676 A681 Q682	E674-I678 WeakPolarHBondContact O-CB 3.44Å; E674-I678 WeakPolarHBondContact O-CD1 3.41Å; E674-I678 WeakPolarHBondContact O-CG1 3.27Å; E674-I678 PolarHBondContact O-N 3.31Å; L675-I678 PolarHBondContact O-N 3.39Å; E676-I678 VanDerWaalsContact C-N 3.29Å; E676-I678 PolarHBondContact O-N 2.95Å; I678-A681 CarbonylContact O-C 3.54Å; I678-A681 WeakPolarHBondContact O-CB 3.37Å; I678-A681 PolarHBondContact O-N 2.91Å; I678-A681 VanDerWaalsContact O-N 3.13Å; I678-Q682 HydrophobicContact CG2-CG 4.48Å; I678-Q682 VanDerWaalsContact O-CG 3.32Å; I678-Q682 WeakPolarHBondContact O-CG 3.41Å; I678-Q682 PolarHBondContact O-N 3.28Å
679	Q	73.2	Confident	63.2	Low	131 Å²	131	112.1 Å²	112.1	61%	0.612	58%	0.581	S	S	*	*	H	α-helix	trans	-64.9	-40.7	178.2	-173.8	168.7	-11.3	0	0	111.1	L675 E676 Q682 T683	L675-Q679 VanDerWaalsContact O-CB 3.31Å; L675-Q679 WeakPolarHBondContact O-CB 3.41Å; L675-Q679 PolarHBondContact O-N 2.92Å; E676-Q679 PolarHBondContact O-N 3.36Å; Q679-Q682 PolarHBondContact O-N 2.9Å; Q679-T683 WeakPolarHBondContact O-CB 3.19Å; Q679-T683 PolarHBondContact O-N 3.32Å; Q679-T683 PolarHBondContact O-OG1 2.88Å
680	D	69.9	Low	63.7	Low	81 Å²	81	111 Å²	111	43%	0.433	57%	0.567	S	S	.	*	H	α-helix	trans	-59	-45.4	168.5	-78.5	-14.1	0	0	0	111.7	E676 Q682 T683 Q684	E676-D680 WeakPolarHBondContact O-CB 3.24Å; E676-D680 PolarHBondContact O-N 2.98Å; D680-Q682 VanDerWaalsContact C-N 3.26Å; D680-Q682 PolarHBondContact O-N 2.91Å; D680-T683 PolarHBondContact O-N 3.16Å; D680-Q684 VanDerWaalsContact O-CB 3.32Å; D680-Q684 WeakPolarHBondContact O-CB 3.45Å; D680-Q684 WeakPolarHBondContact O-CG 3.35Å; D680-Q684 PolarHBondContact O-N 3.21Å
681	A	65	Low	64.7	Low	51 Å²	51	109 Å²	109	42%	0.421	57%	0.565	S	S	.	*	H	α-helix	trans	-65.3	-28.1	177.7	0	0	0	0	0	113.4	T677 I678	T677-A681 VanDerWaalsContact O-CB 3.26Å; T677-A681 WeakPolarHBondContact O-CB 3.4Å; T677-A681 PolarHBondContact O-N 3.47Å; T677-A681 VanDerWaalsContact O-N 3.08Å; I678-A681 CarbonylContact O-C 3.54Å; I678-A681 WeakPolarHBondContact O-CB 3.37Å; I678-A681 PolarHBondContact O-N 2.91Å; I678-A681 VanDerWaalsContact O-N 3.13Å
682	Q	68.3	Low	65.5	Low	152 Å²	152	106.4 Å²	106.4	71%	0.71	56%	0.564	S	S	*	*	H	α-helix	trans	-82.6	-27.3	175.6	-71.9	173.6	0.3	0	0	112.6	I678 Q679 D680	I678-Q682 HydrophobicContact CG2-CG 4.48Å; I678-Q682 VanDerWaalsContact O-CG 3.32Å; I678-Q682 WeakPolarHBondContact O-CG 3.41Å; I678-Q682 PolarHBondContact O-N 3.28Å; Q679-Q682 PolarHBondContact O-N 2.9Å; D680-Q682 VanDerWaalsContact C-N 3.26Å; D680-Q682 PolarHBondContact O-N 2.91Å
683	T	69.2	Low	66.5	Low	111 Å²	111	102.5 Å²	102.5	68%	0.681	56%	0.557	S	S	*	*	H	α-helix	trans	-88.3	-29	-179.3	-51.1	0	0	0	0	112.2	Q679 D680	Q679-T683 WeakPolarHBondContact O-CB 3.19Å; Q679-T683 PolarHBondContact O-N 3.32Å; Q679-T683 PolarHBondContact O-OG1 2.88Å; D680-T683 PolarHBondContact O-N 3.16Å
684	Q	61.2	Low	67.6	Low	92 Å²	92	102 Å²	102	43%	0.43	55%	0.554	S	S	.	*	S	Bend	trans	-69.6	149.4	174.2	-73.4	168.1	15	0	0	111.8	D680	D680-Q684 VanDerWaalsContact O-CB 3.32Å; D680-Q684 WeakPolarHBondContact O-CB 3.45Å; D680-Q684 WeakPolarHBondContact O-CG 3.35Å; D680-Q684 PolarHBondContact O-N 3.21Å
685	Q	59.9	Low	68.6	Low	161 Å²	161	106.9 Å²	106.9	75%	0.752	57%	0.568	S	S	*	*			trans	-62.8	143.6	179.2	-66.8	-172.3	1.2	0	0	111.5	S687 A688	Q685-S687 PolarHBondContact O-N 2.93Å; Q685-A688 PolarHBondContact O-N 2.96Å; Q685-A688 VanDerWaalsContact O-N 3.09Å
686	K	58.7	Low	69.4	Low	227 Å²	227	106.3 Å²	106.3	99%	0.987	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	3	-171.9	-61.7	-179.6	178	178.8	0	116.2
687	S	57.6	Low	70.3	Confident	93 Å²	93	106.3 Å²	106.3	65%	0.65	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-10.3	179.3	50.2	0	0	0	0	114	Q685 V689	Q685-S687 PolarHBondContact O-N 2.93Å; S687-V689 PolarHBondContact O-N 3.16Å
688	A	62.6	Low	71.1	Confident	57 Å²	57	109.4 Å²	109.4	47%	0.471	58%	0.575	S	S	.	*			trans	-75.8	80.2	-175.8	0	0	0	0	0	112.6	Q685 K690	Q685-A688 PolarHBondContact O-N 2.96Å; Q685-A688 VanDerWaalsContact O-N 3.09Å; A688-K690 PolarHBondContact O-N 2.75Å
689	V	63.4	Low	71.7	Confident	107 Å²	107	108 Å²	108	65%	0.648	58%	0.576	S	S	*	*			trans	-62.9	106.5	176.4	177.6	0	0	0	0	110.4	S687 A691 I694	S687-V689 PolarHBondContact O-N 3.16Å; V689-A691 PolarHBondContact O-N 3.18Å; V689-I694 HydrophobicContact CG1-CD1 3.32Å; V689-I694 HydrophobicContact CG1-CG1 4.09Å
690	K	69.3	Low	72.1	Confident	70 Å²	70	106.5 Å²	106.5	30%	0.304	57%	0.568	S	S	.	*			trans	-64.4	95.8	176.3	-65.9	-168.9	179.6	-171	0	110.1	T677 A688 S692 L693 I694	T677-K690 PolarHBondContact O-NZ 2.71Å; A688-K690 PolarHBondContact O-N 2.75Å; K690-S692 PolarHBondContact O-N 3.04Å; K690-S692 VanDerWaalsContact O-N 3.16Å; K690-L693 HydrophobicContact CB-CB 4.09Å; K690-L693 WeakPolarHBondContact O-CA 3.44Å; K690-L693 WeakPolarHBondContact O-CB 3.31Å; K690-L693 PolarHBondContact O-N 2.61Å; K690-I694 PolarHBondContact O-N 3.2Å
691	A	79.2	Confident	72.8	Confident	66 Å²	66	108.4 Å²	108.4	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-59.3	-28.2	-176.6	0	0	0	0	0	113.5	V689 I694 R695	V689-A691 PolarHBondContact O-N 3.18Å; A691-I694 PolarHBondContact O-N 3.33Å; A691-R695 WeakPolarHBondContact O-CB 3.4Å; A691-R695 PolarHBondContact O-N 3.44Å
692	S	77	Confident	73.7	Confident	84 Å²	84	109.4 Å²	109.4	59%	0.587	58%	0.58	S	S	*	*	H	α-helix	trans	-61.3	-42.6	170.1	48.6	0	0	0	0	112.6	K690 R695 L696	K690-S692 PolarHBondContact O-N 3.04Å; K690-S692 VanDerWaalsContact O-N 3.16Å; S692-R695 PolarHBondContact O-N 3.26Å; S692-L696 WeakPolarHBondContact O-CB 3.18Å; S692-L696 PolarHBondContact O-N 2.85Å
693	L	78.2	Confident	74.4	Confident	109 Å²	109	106 Å²	106	57%	0.571	56%	0.564	S	S	*	*	H	α-helix	trans	-67	-40.9	176.4	-178.6	61.9	0	0	0	111.4	K690 R695 L696 L697	K690-L693 HydrophobicContact CB-CB 4.09Å; K690-L693 WeakPolarHBondContact O-CA 3.44Å; K690-L693 WeakPolarHBondContact O-CB 3.31Å; K690-L693 PolarHBondContact O-N 2.61Å; L693-R695 VanDerWaalsContact C-N 3.34Å; L693-R695 PolarHBondContact O-N 3.45Å; L693-L696 PolarHBondContact O-N 3.43Å; L693-L697 VanDerWaalsContact O-CB 3.28Å; L693-L697 WeakPolarHBondContact O-CB 3.44Å; L693-L697 PolarHBondContact O-N 2.84Å
694	I	81.3	Confident	75	Confident	80 Å²	80	104.6 Å²	104.6	41%	0.41	55%	0.552	S	S	.	*	H	α-helix	trans	-63.2	-40.4	172.9	-71	-170.4	0	0	0	111.3	V689 K690 A691 L697 K698	V689-I694 HydrophobicContact CG1-CD1 3.32Å; V689-I694 HydrophobicContact CG1-CG1 4.09Å; K690-I694 PolarHBondContact O-N 3.2Å; A691-I694 PolarHBondContact O-N 3.33Å; I694-L697 PolarHBondContact O-N 2.88Å; I694-K698 HydrophobicContact CG2-CD 4.22Å; I694-K698 HydrophobicContact CG2-CG 4.38Å; I694-K698 WeakPolarHBondContact O-CB 3.3Å; I694-K698 WeakPolarHBondContact O-CG 3.31Å; I694-K698 PolarHBondContact O-N 2.88Å
695	R	81.2	Confident	75.8	Confident	190 Å²	190	102.5 Å²	102.5	72%	0.717	55%	0.55	S	S	*	.	H	α-helix	trans	-64	-44.1	177.4	-167	-176.4	-62.3	161.3	-0.4	111.5	A691 S692 L693 A699	A691-R695 WeakPolarHBondContact O-CB 3.4Å; A691-R695 PolarHBondContact O-N 3.44Å; S692-R695 PolarHBondContact O-N 3.26Å; L693-R695 VanDerWaalsContact C-N 3.34Å; L693-R695 PolarHBondContact O-N 3.45Å; R695-A699 WeakPolarHBondContact O-CB 3.35Å; R695-A699 PolarHBondContact O-N 3Å
696	L	82.4	Confident	76.9	Confident	106 Å²	106	98.5 Å²	98.5	56%	0.555	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-44	175.5	-179.2	62.1	0	0	0	112	S692 L693 A699 K700	S692-L696 WeakPolarHBondContact O-CB 3.18Å; S692-L696 PolarHBondContact O-N 2.85Å; L693-L696 PolarHBondContact O-N 3.43Å; L696-A699 PolarHBondContact O-N 3.34Å; L696-K700 PolarHBondContact O-N 3.05Å
697	L	83.6	Confident	77.9	Confident	103 Å²	103	91.9 Å²	91.9	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-45.7	177.4	-174.6	67.4	0	0	0	111.2	L693 I694 A699 K700 M701	L693-L697 VanDerWaalsContact O-CB 3.28Å; L693-L697 WeakPolarHBondContact O-CB 3.44Å; L693-L697 PolarHBondContact O-N 2.84Å; I694-L697 PolarHBondContact O-N 2.88Å; L697-A699 PolarHBondContact O-N 2.82Å; L697-K700 PolarHBondContact O-N 3.19Å; L697-M701 HydrophobicContact CG-CG 4.48Å; L697-M701 HydrophobicContact CG-SD 4.08Å; L697-M701 WeakPolarHBondContact O-CB 3.23Å; L697-M701 VanDerWaalsContact O-CG 3.28Å; L697-M701 WeakPolarHBondContact O-CG 3.42Å; L697-M701 PolarHBondContact O-N 3.26Å
698	K	83.2	Confident	78.6	Confident	140 Å²	140	93.5 Å²	93.5	61%	0.609	50%	0.498	S	S	*	.	H	α-helix	trans	-57.7	-48	174	-78.1	-176	175.9	-169.9	0	111.6	I694 K700 M701 S702	I694-K698 HydrophobicContact CG2-CD 4.22Å; I694-K698 HydrophobicContact CG2-CG 4.38Å; I694-K698 WeakPolarHBondContact O-CB 3.3Å; I694-K698 WeakPolarHBondContact O-CG 3.31Å; I694-K698 PolarHBondContact O-N 2.88Å; K698-K700 VanDerWaalsContact C-N 3.35Å; K698-K700 PolarHBondContact O-N 3.43Å; K698-M701 PolarHBondContact O-N 2.99Å; K698-S702 PolarHBondContact O-N 2.95Å; K698-S702 PolarHBondContact O-OG 2.83Å
699	A	81.9	Confident	79.3	Confident	56 Å²	56	98.3 Å²	98.3	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-58.7	-44.5	177.5	0	0	0	0	0	112.1	R695 L696 L697 S702 E703	R695-A699 WeakPolarHBondContact O-CB 3.35Å; R695-A699 PolarHBondContact O-N 3Å; L696-A699 PolarHBondContact O-N 3.34Å; L697-A699 PolarHBondContact O-N 2.82Å; A699-S702 PolarHBondContact O-N 2.92Å; A699-E703 WeakPolarHBondContact O-CB 3.42Å; A699-E703 PolarHBondContact O-N 2.97Å
700	K	81.1	Confident	80.1	Confident	100 Å²	100	100.8 Å²	100.8	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-32.7	176.5	-80.2	-72.1	173.3	-163	0	113.9	L696 L697 K698 E703 L704	L696-K700 PolarHBondContact O-N 3.05Å; L697-K700 PolarHBondContact O-N 3.19Å; K698-K700 VanDerWaalsContact C-N 3.35Å; K698-K700 PolarHBondContact O-N 3.43Å; K700-E703 WeakPolarHBondContact CD-OE2 3.44Å; K700-E703 VanDerWaalsContact CE-OE2 3.31Å; K700-E703 WeakPolarHBondContact CE-OE2 3.43Å; K700-E703 IonicContact NZ-OE1 2.72Å; K700-E703 PolarHBondContact NZ-OE1 2.88Å; K700-E703 IonicContact NZ-OE2 3.6Å; K700-E703 PolarHBondContact NZ-OE2 2.98Å; K700-L704 WeakPolarHBondContact O-CB 3.25Å; K700-L704 VanDerWaalsContact O-CG 3.27Å; K700-L704 WeakPolarHBondContact O-CG 3.28Å; K700-L704 PolarHBondContact O-N 2.85Å
701	M	84.7	Confident	80	Confident	121 Å²	121	100 Å²	100	60%	0.596	52%	0.516	S	S	*	.	H	α-helix	trans	-68.7	-39.1	173	-71.2	179	77.6	0	0	111.8	L697 K698 L704 A705	L697-M701 HydrophobicContact CG-CG 4.48Å; L697-M701 HydrophobicContact CG-SD 4.08Å; L697-M701 WeakPolarHBondContact O-CB 3.23Å; L697-M701 VanDerWaalsContact O-CG 3.28Å; L697-M701 WeakPolarHBondContact O-CG 3.42Å; L697-M701 PolarHBondContact O-N 3.26Å; K698-M701 PolarHBondContact O-N 2.99Å; M701-L704 PolarHBondContact O-N 3.4Å; M701-A705 PolarHBondContact O-N 3.23Å
702	S	83.7	Confident	79.2	Confident	73 Å²	73	100.1 Å²	100.1	51%	0.51	52%	0.524	S	S	.	.	H	α-helix	trans	-64.6	-46	171.1	-66.6	0	0	0	0	111.9	K698 A699 L704 A705 D706	K698-S702 PolarHBondContact O-N 2.95Å; K698-S702 PolarHBondContact O-OG 2.83Å; A699-S702 PolarHBondContact O-N 2.92Å; S702-L704 VanDerWaalsContact C-N 3.27Å; S702-L704 PolarHBondContact O-N 3.38Å; S702-A705 WeakPolarHBondContact O-CB 3.49Å; S702-A705 PolarHBondContact O-N 3.16Å; S702-A705 VanDerWaalsContact O-N 3.09Å; S702-D706 WeakPolarHBondContact O-CB 3.42Å; S702-D706 PolarHBondContact O-N 3.21Å
703	E	84.2	Confident	78.4	Confident	80 Å²	80	98.8 Å²	98.8	37%	0.374	52%	0.524	S	S	.	.	H	α-helix	trans	-58.2	-38.2	176.7	-171.8	-168.9	129.5	0	0	112.5	A699 K700 D706 Q707	A699-E703 WeakPolarHBondContact O-CB 3.42Å; A699-E703 PolarHBondContact O-N 2.97Å; K700-E703 WeakPolarHBondContact CD-OE2 3.44Å; K700-E703 VanDerWaalsContact CE-OE2 3.31Å; K700-E703 WeakPolarHBondContact CE-OE2 3.43Å; K700-E703 IonicContact NZ-OE1 2.72Å; K700-E703 PolarHBondContact NZ-OE1 2.88Å; K700-E703 IonicContact NZ-OE2 3.6Å; K700-E703 PolarHBondContact NZ-OE2 2.98Å; E703-D706 WeakPolarHBondContact O-CB 3.5Å; E703-Q707 VanDerWaalsContact O-CG 3.23Å; E703-Q707 WeakPolarHBondContact O-CG 3.35Å; E703-Q707 PolarHBondContact O-N 3.15Å; E703-Q707 VanDerWaalsContact O-N 3.09Å; E703-Q707 PolarHBondContact OE1-NE2 3.31Å
704	L	80.2	Confident	77.4	Confident	82 Å²	82	98.7 Å²	98.7	43%	0.429	53%	0.532	S	S	.	.	H	α-helix	trans	-69.2	-40.7	173.8	-73.9	168.2	0	0	0	112.3	K700 M701 S702 Q707 W708	K700-L704 WeakPolarHBondContact O-CB 3.25Å; K700-L704 VanDerWaalsContact O-CG 3.27Å; K700-L704 WeakPolarHBondContact O-CG 3.28Å; K700-L704 PolarHBondContact O-N 2.85Å; M701-L704 PolarHBondContact O-N 3.4Å; S702-L704 VanDerWaalsContact C-N 3.27Å; S702-L704 PolarHBondContact O-N 3.38Å; L704-Q707 PolarHBondContact O-N 3.35Å; L704-W708 PolarHBondContact O-N 3.16Å
705	A	79.5	Confident	76.1	Confident	47 Å²	47	100.1 Å²	100.1	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-48	175.4	0	0	0	0	0	111.5	M701 S702 Q707 W708 E709	M701-A705 PolarHBondContact O-N 3.23Å; S702-A705 WeakPolarHBondContact O-CB 3.49Å; S702-A705 PolarHBondContact O-N 3.16Å; S702-A705 VanDerWaalsContact O-N 3.09Å; A705-Q707 VanDerWaalsContact C-N 3.25Å; A705-Q707 PolarHBondContact O-N 3.32Å; A705-W708 PolarHBondContact O-N 3.11Å; A705-E709 PolarHBondContact O-N 3.12Å
706	D	82.7	Confident	74.7	Confident	78 Å²	78	98 Å²	98	42%	0.417	54%	0.543	S	S	.	.	H	α-helix	trans	-50	-43.8	170.8	-100.7	57	0	0	0	112.5	S702 E703 K710	S702-D706 WeakPolarHBondContact O-CB 3.42Å; S702-D706 PolarHBondContact O-N 3.21Å; E703-D706 WeakPolarHBondContact O-CB 3.5Å; D706-K710 WeakPolarHBondContact O-CB 3.47Å; D706-K710 WeakPolarHBondContact O-CD 3.5Å; D706-K710 WeakPolarHBondContact O-CE 3.49Å; D706-K710 WeakPolarHBondContact O-CG 3.33Å; D706-K710 PolarHBondContact O-N 3.21Å; D706-K710 IonicContact OD2-NZ 2.93Å; D706-K710 PolarHBondContact OD2-NZ 3.05Å
707	Q	79.4	Confident	73.4	Confident	88 Å²	88	95.2 Å²	95.2	41%	0.411	53%	0.531	S	S	.	.	H	α-helix	trans	-69.8	-37.6	177.7	-74.5	171	25.7	0	0	112	E703 L704 A705 K710 S711	E703-Q707 VanDerWaalsContact O-CG 3.23Å; E703-Q707 WeakPolarHBondContact O-CG 3.35Å; E703-Q707 PolarHBondContact O-N 3.15Å; E703-Q707 VanDerWaalsContact O-N 3.09Å; E703-Q707 PolarHBondContact OE1-NE2 3.31Å; L704-Q707 PolarHBondContact O-N 3.35Å; A705-Q707 VanDerWaalsContact C-N 3.25Å; A705-Q707 PolarHBondContact O-N 3.32Å; Q707-K710 PolarHBondContact O-N 3.47Å; Q707-S711 VanDerWaalsContact O-CB 3.28Å; Q707-S711 WeakPolarHBondContact O-CB 3.45Å; Q707-S711 PolarHBondContact O-N 3.16Å; Q707-S711 PolarHBondContact O-OG 3.31Å
708	W	71	Confident	71.8	Confident	126 Å²	126	98 Å²	98	48%	0.477	54%	0.539	S	S	.	.	H	α-helix	trans	-68.5	-41.1	179	-70.8	18.7	0	0	0	112	L704 A705 S711 G712 G713 P717	L704-W708 PolarHBondContact O-N 3.16Å; A705-W708 PolarHBondContact O-N 3.11Å; W708-S711 CarbonylContact O-C 3.59Å; W708-S711 PolarHBondContact O-N 3.09Å; W708-G712 PolarHBondContact O-N 3.32Å; W708-G713 PolarHBondContact O-N 2.8Å; W708-P717 HydrophobicContact CH2-CB 3.68Å; W708-P717 HydrophobicContact CZ3-CB 4.03Å
709	E	78.1	Confident	70.3	Confident	158 Å²	158	92.2 Å²	92.2	74%	0.738	52%	0.519	S	S	*	.	H	α-helix	trans	-61.8	-48	173.6	-70.3	-175.6	-177.7	0	0	111.2	A705 S711 G712	A705-E709 PolarHBondContact O-N 3.12Å; E709-S711 PolarHBondContact O-N 3.47Å; E709-G712 PolarHBondContact O-N 2.82Å
710	K	80.2	Confident	68.7	Low	159 Å²	159	96.1 Å²	96.1	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-63.4	-24.9	175.6	-68.8	161.5	-160	158	0	112.9	D706 Q707 G712	D706-K710 WeakPolarHBondContact O-CB 3.47Å; D706-K710 WeakPolarHBondContact O-CD 3.5Å; D706-K710 WeakPolarHBondContact O-CE 3.49Å; D706-K710 WeakPolarHBondContact O-CG 3.33Å; D706-K710 PolarHBondContact O-N 3.21Å; D706-K710 IonicContact OD2-NZ 2.93Å; D706-K710 PolarHBondContact OD2-NZ 3.05Å; Q707-K710 PolarHBondContact O-N 3.47Å; K710-G712 VanDerWaalsContact C-N 3.31Å
711	S	66.9	Low	67.2	Low	54 Å²	54	98 Å²	98	38%	0.378	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	7.7	175.7	-55	0	0	0	0	113.8	Q707 W708 E709 G713 S714	Q707-S711 VanDerWaalsContact O-CB 3.28Å; Q707-S711 WeakPolarHBondContact O-CB 3.45Å; Q707-S711 PolarHBondContact O-N 3.16Å; Q707-S711 PolarHBondContact O-OG 3.31Å; W708-S711 CarbonylContact O-C 3.59Å; W708-S711 PolarHBondContact O-N 3.09Å; E709-S711 PolarHBondContact O-N 3.47Å; S711-G713 PolarHBondContact O-N 2.83Å; S711-S714 PolarHBondContact O-N 2.92Å
712	G	63.4	Low	65.4	Low	69 Å²	69	98 Å²	98	71%	0.711	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	22	176.2	0	0	0	0	0	114.7	W708 E709 K710 S714	W708-G712 PolarHBondContact O-N 3.32Å; E709-G712 PolarHBondContact O-N 2.82Å; K710-G712 VanDerWaalsContact C-N 3.31Å; G712-S714 PolarHBondContact O-N 2.8Å; G712-S714 VanDerWaalsContact O-N 3.16Å
713	G	59.7	Low	63.7	Low	56 Å²	56	99.9 Å²	99.9	58%	0.577	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	4.7	179.6	0	0	0	0	0	116.3	W708 S711 L715	W708-G713 PolarHBondContact O-N 2.8Å; S711-G713 PolarHBondContact O-N 2.83Å; G713-L715 PolarHBondContact O-N 2.86Å
714	S	56.5	Low	61.9	Low	107 Å²	107	98 Å²	98	75%	0.748	54%	0.535	S	S	*	.			trans	-71.2	-17.5	-176.9	-163.6	0	0	0	0	113.8	S711 G712 N716	S711-S714 PolarHBondContact O-N 2.92Å; G712-S714 PolarHBondContact O-N 2.8Å; G712-S714 VanDerWaalsContact O-N 3.16Å; S714-N716 PolarHBondContact O-N 3.17Å; S714-N716 VanDerWaalsContact O-N 3.16Å
715	L	54.9	Low	60.9	Low	109 Å²	109	99.4 Å²	99.4	57%	0.571	55%	0.549	S	S	*	.	S	Bend	trans	-80.4	92.3	173.6	-75.7	162.5	0	0	0	110.4	G713	G713-L715 PolarHBondContact O-N 2.86Å
716	N	52.4	Low	60.1	Low	145 Å²	145	107.1 Å²	107.1	78%	0.775	57%	0.57	S	S	*	*			trans	-51.5	128.7	172.1	-85.1	-44	0	0	0	111	S714 K718	S714-N716 PolarHBondContact O-N 3.17Å; S714-N716 VanDerWaalsContact O-N 3.16Å; N716-K718 PolarHBondContact O-N 3.49Å
717	P	53	Low	58.8	Low	49 Å²	49	109 Å²	109	32%	0.318	58%	0.58	S	S	.	*			trans	-68.4	129.3	-178.8	28.9	-35.6	0	0	0	110.3	W708 G719	W708-P717 HydrophobicContact CH2-CB 3.68Å; W708-P717 HydrophobicContact CZ3-CB 4.03Å; P717-G719 PolarHBondContact O-N 3.28Å
718	K	51.8	Low	57.7	Low	161 Å²	161	112.2 Å²	112.2	70%	0.7	60%	0.599	S	S	*	*	S	Bend	trans	-73.1	66.4	172.6	-77.8	-154.1	171.6	-154.2	0	111.4	N716	N716-K718 PolarHBondContact O-N 3.49Å
719	G	50.6	Low	56.9	Low	19 Å²	19	109.4 Å²	109.4	20%	0.196	60%	0.597	C	S	.	*	S	Bend	trans	128.8	147.9	-179.5	0	0	0	0	0	112	P717 A732	P717-G719 PolarHBondContact O-N 3.28Å; G719-A732 CarbonylContact C-O 3.49Å; G719-A732 WeakPolarHBondContact CA-O 3.07Å
720	K	49.1	Very low	55.7	Low	137 Å²	137	106.5 Å²	106.5	60%	0.596	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.2	124.1	175.6	-70.8	-179	-179.5	176.5	0	109.5	F722 A732	K720-F722 HydrophobicContact CB-CD2 4.12Å; K720-F722 HydrophobicContact CB-CE2 3.51Å; K720-F722 HydrophobicContact CB-CZ 3.88Å; K720-F722 HydrophobicContact CD-CE2 4.41Å; K720-F722 HydrophobicContact CD-CZ 4.04Å; K720-F722 PolarHBondContact O-N 3.34Å; K720-A732 PolarHBondContact N-O 2.93Å; K720-A732 PolarHBondContact O-N 2.8Å
721	F	48.2	Very low	54.4	Low	140 Å²	140	102.4 Å²	102.4	61%	0.614	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.9	97.8	-179.1	-150.9	-86.4	0	0	0	109.5	V723 P729 V731	F721-V723 HydrophobicContact CD1-CG2 3.86Å; F721-V723 HydrophobicContact CE1-CG2 4.18Å; F721-V723 PolarHBondContact O-N 2.85Å; F721-P729 HydrophobicContact CD1-CB 4.31Å; F721-P729 HydrophobicContact CE1-CB 3.52Å; F721-P729 HydrophobicContact CE1-CG 4.23Å; F721-P729 HydrophobicContact CZ-CB 4Å; F721-P729 HydrophobicContact CZ-CG 4.4Å; F721-V731 HydrophobicContact CD2-CG2 4.07Å; F721-V731 HydrophobicContact CE2-CG2 3.66Å; F721-V731 HydrophobicContact CZ-CG2 4.43Å
722	F	47.7	Very low	53.8	Low	122 Å²	122	101.7 Å²	101.7	54%	0.535	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.9	98.6	-177.2	-69.3	-80.3	0	0	0	110.8	K720 S724 V730 A732	K720-F722 HydrophobicContact CB-CD2 4.12Å; K720-F722 HydrophobicContact CB-CE2 3.51Å; K720-F722 HydrophobicContact CB-CZ 3.88Å; K720-F722 HydrophobicContact CD-CE2 4.41Å; K720-F722 HydrophobicContact CD-CZ 4.04Å; K720-F722 PolarHBondContact O-N 3.34Å; F722-S724 PolarHBondContact O-N 2.79Å; F722-V730 PolarHBondContact N-O 3.33Å; F722-V730 PolarHBondContact O-N 3.35Å; F722-A732 HydrophobicContact CD2-CB 4.22Å; F722-A732 HydrophobicContact CE2-CB 4.07Å
723	V	48.7	Very low	53.1	Low	112 Å²	112	105.3 Å²	105.3	68%	0.679	57%	0.572	S	S	*	*			trans	-84	98	169.2	-172.7	0	0	0	0	108.8	F721	F721-V723 HydrophobicContact CD1-CG2 3.86Å; F721-V723 HydrophobicContact CE1-CG2 4.18Å; F721-V723 PolarHBondContact O-N 2.85Å
724	S	45.8	Very low	52.6	Low	41 Å²	41	106.1 Å²	106.1	29%	0.287	56%	0.56	S	S	.	*			trans	-75	137.7	166.8	174.5	0	0	0	0	109.4	F722 Y726 N727	F722-S724 PolarHBondContact O-N 2.79Å; S724-Y726 PolarHBondContact O-N 3.37Å; S724-Y726 VanDerWaalsContact O-N 3.15Å; S724-Y726 PolarHBondContact OG-N 3.39Å; S724-N727 PolarHBondContact OG-N 3.42Å
725	P	58.8	Low	52.6	Low	111 Å²	111	106.6 Å²	106.6	72%	0.721	56%	0.561	S	S	*	*	S	Bend	trans	-66.6	-9.6	172.7	26.8	-33.2	0	0	0	113.7
726	Y	63.5	Low	52.4	Low	209 Å²	209	106.6 Å²	106.6	82%	0.82	56%	0.561	S	S	*	*	S	Bend	trans	-125.9	-7.8	-176.7	-55.1	-63.3	0	0	0	114.9	S724	S724-Y726 PolarHBondContact O-N 3.37Å; S724-Y726 VanDerWaalsContact O-N 3.15Å; S724-Y726 PolarHBondContact OG-N 3.39Å
727	N	56.2	Low	52.4	Low	118 Å²	118	101.7 Å²	101.7	63%	0.631	54%	0.539	S	S	*	.	S	Bend	trans	-126.6	153.6	-179.9	-56.6	-39.5	0	0	0	111	S724	S724-N727 PolarHBondContact OG-N 3.42Å
728	L	56.2	Low	52.2	Low	154 Å²	154	109.1 Å²	109.1	81%	0.806	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-53.4	143.9	167.9	-74.6	162.3	0	0	0	110.8	V730	L728-V730 PolarHBondContact O-N 3.1Å
729	P	53.5	Low	51.8	Low	68 Å²	68	104 Å²	104	44%	0.442	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-64.5	126	-176.2	25.8	-34	0	0	0	111.2	F721	F721-P729 HydrophobicContact CD1-CB 4.31Å; F721-P729 HydrophobicContact CE1-CB 3.52Å; F721-P729 HydrophobicContact CE1-CG 4.23Å; F721-P729 HydrophobicContact CZ-CB 4Å; F721-P729 HydrophobicContact CZ-CG 4.4Å
730	V	52.5	Low	51.3	Low	97 Å²	97	110 Å²	110	59%	0.588	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.6	123.9	177.6	-178.9	0	0	0	0	109	F722 L728 A732	F722-V730 PolarHBondContact N-O 3.33Å; F722-V730 PolarHBondContact O-N 3.35Å; L728-V730 PolarHBondContact O-N 3.1Å; V730-A732 PolarHBondContact O-N 3.23Å
731	V	53.9	Low	50.9	Low	72 Å²	72	110.8 Å²	110.8	44%	0.436	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	108.4	174.1	-177.3	0	0	0	0	108.6	F721 F733	F721-V731 HydrophobicContact CD2-CG2 4.07Å; F721-V731 HydrophobicContact CE2-CG2 3.66Å; F721-V731 HydrophobicContact CZ-CG2 4.43Å; V731-F733 HydrophobicContact CG1-CD1 4.37Å; V731-F733 HydrophobicContact CG1-CD2 4.45Å; V731-F733 HydrophobicContact CG1-CE1 4.02Å; V731-F733 HydrophobicContact CG1-CE2 4.11Å; V731-F733 HydrophobicContact CG1-CZ 3.88Å
732	A	52.6	Low	50.4	Low	40 Å²	40	114.8 Å²	114.8	33%	0.331	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.1	109.2	169.5	0	0	0	0	0	109	G719 K720 F722 V730	G719-A732 CarbonylContact C-O 3.49Å; G719-A732 WeakPolarHBondContact CA-O 3.07Å; K720-A732 PolarHBondContact N-O 2.93Å; K720-A732 PolarHBondContact O-N 2.8Å; F722-A732 HydrophobicContact CD2-CB 4.22Å; F722-A732 HydrophobicContact CE2-CB 4.07Å; V730-A732 PolarHBondContact O-N 3.23Å
733	F	49.8	Very low	49.9	Very low	144 Å²	144	113.2 Å²	113.2	63%	0.632	62%	0.616	S	S	*	*			trans	-68.7	159.9	174.3	-65.8	-75.3	0	0	0	111.8	V731	V731-F733 HydrophobicContact CG1-CD1 4.37Å; V731-F733 HydrophobicContact CG1-CD2 4.45Å; V731-F733 HydrophobicContact CG1-CE1 4.02Å; V731-F733 HydrophobicContact CG1-CE2 4.11Å; V731-F733 HydrophobicContact CG1-CZ 3.88Å
734	H	49.5	Very low	49.4	Very low	74 Å²	74	113.8 Å²	113.8	34%	0.343	63%	0.625	S	S	.	*			trans	-79.4	143.5	175	-155	-101.9	0	0	0	109.6	D736 S737	H734-D736 IonicContact CE1-OD2 3Å; H734-D736 PolarHBondContact CE1-OD2 3.25Å; H734-D736 IonicContact ND1-OD2 2.77Å; H734-D736 PolarHBondContact ND1-OD2 2.92Å; H734-D736 PolarHBondContact O-N 2.84Å; H734-S737 WeakPolarHBondContact O-CB 3.18Å; H734-S737 PolarHBondContact O-N 2.97Å; H734-S737 PolarHBondContact O-OG 2.77Å
735	P	56.2	Low	49	Very low	117 Å²	117	115.7 Å²	115.7	76%	0.76	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-27.8	178.3	20.6	-33.5	0	0	0	113.9	S737	P735-S737 PolarHBondContact O-N 3.05Å
736	D	50.6	Low	48	Very low	109 Å²	109	116.3 Å²	116.3	58%	0.583	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	18.2	176.9	-32.7	-46	0	0	0	114.1	H734	H734-D736 IonicContact CE1-OD2 3Å; H734-D736 PolarHBondContact CE1-OD2 3.25Å; H734-D736 IonicContact ND1-OD2 2.77Å; H734-D736 PolarHBondContact ND1-OD2 2.92Å; H734-D736 PolarHBondContact O-N 2.84Å
737	S	53.3	Low	46.7	Very low	42 Å²	42	114.4 Å²	114.4	29%	0.294	65%	0.649	S	S	.	*			trans	-94.8	83.4	168.3	67.9	0	0	0	0	110.6	H734 P735 G739	H734-S737 WeakPolarHBondContact O-CB 3.18Å; H734-S737 PolarHBondContact O-N 2.97Å; H734-S737 PolarHBondContact O-OG 2.77Å; P735-S737 PolarHBondContact O-N 3.05Å; S737-G739 VanDerWaalsContact C-N 3.26Å; S737-G739 PolarHBondContact O-N 3Å
738	E	48.3	Very low	45.8	Very low	205 Å²	205	113.1 Å²	113.1	96%	0.958	66%	0.655	S	S	*	*			trans	-63	92.2	162	-69.3	-164.5	170.7	0	0	108.8
739	G	43.7	Very low	45	Very low	52 Å²	52	111.2 Å²	111.2	54%	0.536	66%	0.655	S	S	.	*			trans	-160.9	17.3	-166.6	0	0	0	0	0	115	S737 L741	S737-G739 VanDerWaalsContact C-N 3.26Å; S737-G739 PolarHBondContact O-N 3Å; G739-L741 PolarHBondContact O-N 3.32Å
740	D	40.3	Very low	44.3	Very low	147 Å²	147	113 Å²	113	79%	0.786	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	61.1	178.9	-83.8	-32.2	0	0	0	112.9
741	L	40.7	Very low	43.8	Very low	153 Å²	153	114 Å²	114	80%	0.801	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	-8.4	173.3	-73.2	174.1	0	0	0	113.7	G739	G739-L741 PolarHBondContact O-N 3.32Å
742	Y	37.5	Very low	43.1	Very low	223 Å²	223	115.2 Å²	115.2	88%	0.875	69%	0.692	S	S	*	*	S	Bend	trans	-140.2	57.4	178.3	-83.9	-81.2	0	0	0	113.5
743	S	36.9	Very low	42.6	Very low	89 Å²	89	118.9 Å²	118.9	62%	0.622	71%	0.712	S	S	*	*			trans	-130	78.9	165.1	-79.6	0	0	0	0	111	A745	S743-A745 VanDerWaalsContact C-N 3.27Å; S743-A745 PolarHBondContact O-N 3.22Å
744	S	37	Very low	42.1	Very low	124 Å²	124	118.4 Å²	118.4	87%	0.867	72%	0.721	S	S	*	*			trans	-69.5	87.4	163.6	-56.4	0	0	0	0	109
745	A	38.6	Very low	41.8	Very low	82 Å²	82	122.1 Å²	122.1	68%	0.678	74%	0.742	S	S	*	*			trans	-54.6	134.3	174.5	0	0	0	0	0	109.8	S743 I747	S743-A745 VanDerWaalsContact C-N 3.27Å; S743-A745 PolarHBondContact O-N 3.22Å; A745-I747 PolarHBondContact O-N 3.4Å
746	P	36.9	Very low	41.4	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	75%	0.745	S	S	*	*			trans	-62.1	132	178.8	26.4	-33.6	0	0	0	109.1	A748	P746-A748 PolarHBondContact O-N 3.2Å
747	I	36.8	Very low	41.3	Very low	168 Å²	168	125 Å²	125	86%	0.862	75%	0.752	S	S	*	*			trans	-57.9	112.2	178	-62.2	172.2	0	0	0	107.8	A745 S749	A745-I747 PolarHBondContact O-N 3.4Å; I747-S749 PolarHBondContact O-N 2.98Å; I747-S749 VanDerWaalsContact O-N 3.1Å
748	A	38	Very low	40.6	Very low	92 Å²	92	128.8 Å²	128.8	76%	0.76	78%	0.778	S	S	*	*			trans	-60.3	117.1	177.9	0	0	0	0	0	108.9	P746 S750	P746-A748 PolarHBondContact O-N 3.2Å; A748-S750 PolarHBondContact O-N 3.35Å
749	S	38.8	Very low	40.8	Very low	113 Å²	113	125.3 Å²	125.3	79%	0.79	77%	0.771	S	S	*	*			trans	-55.9	132.9	-179.4	51.2	0	0	0	0	110.6	I747 S751	I747-S749 PolarHBondContact O-N 2.98Å; I747-S749 VanDerWaalsContact O-N 3.1Å; S749-S751 PolarHBondContact O-N 3.22Å
750	S	37.8	Very low	40.9	Very low	107 Å²	107	127.9 Å²	127.9	75%	0.748	78%	0.781	S	S	*	*			trans	-42	116.6	-173.9	53.2	0	0	0	0	114	A748 S752	A748-S750 PolarHBondContact O-N 3.35Å; S750-S752 PolarHBondContact O-N 3.07Å; S750-S752 VanDerWaalsContact O-N 3.07Å
751	S	41.6	Very low	41.2	Very low	117 Å²	117	132 Å²	132	82%	0.818	80%	0.803	S	S	*	*			trans	-62.6	108.2	164.6	53.7	0	0	0	0	109.1	S749	S749-S751 PolarHBondContact O-N 3.22Å
752	S	40.7	Very low	41.2	Very low	98 Å²	98	131 Å²	131	69%	0.685	80%	0.803	S	S	*	*			trans	-61.6	142.6	176.6	-61.8	0	0	0	0	110.4	S750 T754	S750-S752 PolarHBondContact O-N 3.07Å; S750-S752 VanDerWaalsContact O-N 3.07Å; S752-T754 PolarHBondContact O-N 2.99Å
753	P	42.6	Very low	41.4	Very low	117 Å²	117	126.1 Å²	126.1	76%	0.76	80%	0.799	S	S	*	*			trans	-67.3	123.6	175.5	27.9	-33.3	0	0	0	110	I755	P753-I755 PolarHBondContact O-N 3.3Å
754	T	37.9	Very low	41.6	Very low	133 Å²	133	128.2 Å²	128.2	82%	0.816	81%	0.809	S	S	*	*			trans	-67.1	100	175.5	-56	0	0	0	0	110.1	S752 Q756	S752-T754 PolarHBondContact O-N 2.99Å; T754-Q756 PolarHBondContact O-N 3.25Å
755	I	43.1	Very low	41.9	Very low	153 Å²	153	128.4 Å²	128.4	79%	0.785	81%	0.806	S	S	*	*			trans	-70	113	167.6	-61.9	175.6	0	0	0	107.6	P753	P753-I755 PolarHBondContact O-N 3.3Å
756	Q	47.4	Very low	42.1	Very low	173 Å²	173	131.3 Å²	131.3	81%	0.808	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.9	130.3	169.8	-67	-176.6	-66.8	0	0	109.5	T754	T754-Q756 PolarHBondContact O-N 3.25Å
757	P	49.6	Very low	42.4	Very low	112 Å²	112	131.8 Å²	131.8	73%	0.727	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.7	132.5	168.7	30.7	-32.5	0	0	0	109.7
758	S	39.4	Very low	42.9	Very low	123 Å²	123	129.2 Å²	129.2	86%	0.86	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.5	122.8	171	54.2	0	0	0	0	110.7
759	T	51.1	Low	43.2	Very low	131 Å²	131	132.1 Å²	132.1	80%	0.804	82%	0.815	S	S	*	*			trans	-116.8	135.6	165.6	51.6	0	0	0	0	109.4
760	S	46.8	Very low	43.6	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	82%	0.817	S	S	*	*			trans	-66.7	133.7	175.8	50.7	0	0	0	0	112
761	D	45.2	Very low	44.1	Very low	233 Å²	233	136.1 Å²	136.1	100%	1.246	82%	0.823	S	S	*	*				-151.3	0	89	-84.7	-19.6	0	0	0	110.1

Retrieved 761 of 761 residues in 858.4 ms (Link to these results)

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