A0A3Q0KDF2_SCHMA Loading...

Mannosyl-oligosaccharide glucosidase

Cleaves the distal alpha 1,2-linked glucose residue from the Glc(3)Man(9)GlcNAc(2) oligosaccharide precursor.

AlphaFold DB , UniProt , Accession A0A3Q0KDF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 877 aa.

						>A0A3Q0KDF2_SCHMA|A0A3Q0KDF2
MPKSKSIEARPRKRKQSQRIEELTNSVSEHPKHEVNHISHFSDGLRHSKPRSRVGRERSFLTDFHIVNKVPKWLILSFIYLGILIFLVMLAFRQVMVWYQAKQVITPLHLPKVISDASLHERSHSLFWGSYRPGIYFGMKHRSPNSLLFGVMWTIQDPENFAYRHSCDQFDGVLSYNWLEHDGRTFGTQQIVDTHHIITISFVKPSSDFIGSDWTVRISAVARNRTSMEYPLSVIVYFYYPGDKNDFFIEPVISNKKITGLQGSSMELSDFHISFHPTPHKLQESSLMAYIPREDAIKETMFTGLGVRRDKNFLVLRGVTNNHDKNQPPNAWFYETSTKPNENNQPILDVEFFRSQSSFEGFHGNSFSEELSKQSISFHKRFVERFNVDLTKFSDRQVNLSKIAVSNLLGGIGFFYGTSLVRSPDIGPEPVSTWASSLFTATPSRLNFPRGFLWDEGFHGLILARWDPNLAMETVGSWLDLMNANGWIPREQILGWEARSKVPSEFVVQSSEVANPPSLILTVEALLDRLPRLTVAEANEFRRWSILILPRLHVWYQWFNTTQIGPVPLSYRWRGRNPNEIHQLNPLTLSSGLDDFPRASHPTDDERHIDLRCWMTLFARVMAKLAYVVTQFMQTDQNANSRSKLEETRSLIVEYTRWADLLSDQSELDKLHWSEKQGHYADYGLHTDFVRLEMPDIPKGSHVSNEMKLVRVAVKTPSLQLVDTSFGYVNLFPFLLKVLSPTSPRLPRLLADLSNKELLWSEFGLRSINLKSPFYHTHNTKDDPPYWRGAIWININYLAVQSLRYYAHHSRTPVPVAAEAKRLAEQLTQNLARTVLGELERTGHLWEQYNDQTGNGQRGHPFSGWTSLISLIISDSS
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.7	Very low	25	Very low	244 Å²	244	158.4 Å²	158.4	100%	1.202	84%	0.842	S	S	*	*				0	109.2	0	-74.4	-169.2	173	0	0	110.1
2	P	28.5	Very low	25.2	Very low	128 Å²	128	163.3 Å²	163.3	83%	0.831	84%	0.84	S	S	*	*			trans	-110.8	136.4	155.2	25.8	-9.6	0	0	0	110.6	S4	P2-S4 PolarHBondContact O-N 3.39Å
3	K	24.9	Very low	25.3	Very low	215 Å²	215	166.8 Å²	166.8	94%	0.935	85%	0.846	S	S	*	*			trans	-57.2	110.2	-171.7	-61.6	171.4	177.3	178.8	0	112.3
4	S	23.7	Very low	25.5	Very low	117 Å²	117	172.4 Å²	172.4	82%	0.818	85%	0.851	S	S	*	*			trans	-85.7	125.2	162.7	60.3	0	0	0	0	109.3	P2 S6	P2-S4 PolarHBondContact O-N 3.39Å; S4-S6 PolarHBondContact O-N 2.91Å
5	K	22.5	Very low	25.7	Very low	204 Å²	204	174.5 Å²	174.5	89%	0.887	85%	0.854	S	S	*	*			trans	-68.2	110.6	175.3	-73.2	176.5	174.6	178.2	0	108.8	I7	K5-I7 PolarHBondContact O-N 3Å
6	S	25.4	Very low	25.7	Very low	111 Å²	111	175.1 Å²	175.1	78%	0.776	85%	0.854	S	S	*	*			trans	-69.5	122.2	166.1	51.5	0	0	0	0	109.2	S4 E8	S4-S6 PolarHBondContact O-N 2.91Å; S6-E8 PolarHBondContact O-N 2.8Å
7	I	23.4	Very low	26	Very low	166 Å²	166	171.3 Å²	171.3	85%	0.851	85%	0.849	S	S	*	*			trans	-70.7	113.1	172.5	-67.3	168.9	0	0	0	107.5	K5 A9	K5-I7 PolarHBondContact O-N 3Å; I7-A9 PolarHBondContact O-N 2.99Å
8	E	24.2	Very low	26	Very low	142 Å²	142	171.4 Å²	171.4	66%	0.664	85%	0.847	S	S	*	*			trans	-66.7	109.4	173.1	-79.4	-175.1	178.7	0	0	110.2	S6 R10	S6-E8 PolarHBondContact O-N 2.8Å; E8-R10 IonicContact OE2-CZ 2.75Å; E8-R10 IonicContact OE2-NE 3.88Å; E8-R10 PolarHBondContact OE2-NE 3.38Å; E8-R10 VanDerWaalsContact OE2-NE 3.13Å; E8-R10 IonicContact OE2-NH2 3.76Å; E8-R10 PolarHBondContact OE2-NH2 3.46Å
9	A	25	Very low	26.1	Very low	88 Å²	88	173.8 Å²	173.8	73%	0.727	85%	0.846	S	S	*	*			trans	-90	95.4	155.6	0	0	0	0	0	108	I7	I7-A9 PolarHBondContact O-N 2.99Å
10	R	24.5	Very low	26.2	Very low	202 Å²	202	171.7 Å²	171.7	76%	0.762	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.5	130.5	174.9	-71.8	-179.9	178.9	-169.1	-4.8	110.4	E8 R12	E8-R10 IonicContact OE2-CZ 2.75Å; E8-R10 IonicContact OE2-NE 3.88Å; E8-R10 PolarHBondContact OE2-NE 3.38Å; E8-R10 VanDerWaalsContact OE2-NE 3.13Å; E8-R10 IonicContact OE2-NH2 3.76Å; E8-R10 PolarHBondContact OE2-NH2 3.46Å; R10-R12 PolarHBondContact O-N 2.83Å
11	P	27	Very low	26.4	Very low	125 Å²	125	171.2 Å²	171.2	81%	0.812	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.7	124.4	166.4	29.4	-27	0	0	0	109.2	K13	P11-K13 PolarHBondContact O-N 3.37Å
12	R	27.8	Very low	26.6	Very low	217 Å²	217	167.5 Å²	167.5	82%	0.819	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.1	125.4	173.2	-83.7	178.8	168.2	175.6	-4.2	109.6	R10 R14 E706	R10-R12 PolarHBondContact O-N 2.83Å; R12-R14 PolarHBondContact O-N 3.19Å; R12-E706 IonicContact NH2-OE2 3.04Å
13	K	26.9	Very low	26.6	Very low	209 Å²	209	169.2 Å²	169.2	91%	0.909	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-54.4	119.8	170.9	-74.7	-178	174.6	-178	0	110.3	P11 K15	P11-K13 PolarHBondContact O-N 3.37Å; K13-K15 PolarHBondContact O-N 3.02Å
14	R	28.1	Very low	26.9	Very low	245 Å²	245	165 Å²	165	93%	0.925	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.8	117.7	166.5	-114.5	175.5	171.8	173.2	-2.1	108.8	R12 Q16	R12-R14 PolarHBondContact O-N 3.19Å; R14-Q16 PolarHBondContact O-N 3.46Å
15	K	28.3	Very low	27.1	Very low	204 Å²	204	167 Å²	167	89%	0.887	81%	0.808	S	S	*	*			trans	-74.7	115.9	159.3	-87.6	-176.6	174.2	-179	0	107.5	K13 S17	K13-K15 PolarHBondContact O-N 3.02Å; K15-S17 PolarHBondContact O-N 3.29Å
16	Q	26	Very low	27.6	Very low	185 Å²	185	163 Å²	163	86%	0.864	81%	0.806	S	S	*	*			trans	-64.2	116.2	161.6	-83.7	173.9	-26.3	0	0	108.2	R14	R14-Q16 PolarHBondContact O-N 3.46Å
17	S	29.6	Very low	27.7	Very low	110 Å²	110	164.4 Å²	164.4	77%	0.769	81%	0.809	S	S	*	*			trans	-110.1	96.9	158.5	168.6	0	0	0	0	106	K15 R19	K15-S17 PolarHBondContact O-N 3.29Å; S17-R19 PolarHBondContact O-N 2.9Å
18	Q	26.7	Very low	28.1	Very low	173 Å²	173	161.6 Å²	161.6	81%	0.808	81%	0.805	S	S	*	*			trans	-62	116.6	163.7	-77.9	173.9	-32.5	0	0	107.8
19	R	27.5	Very low	28.5	Very low	217 Å²	217	163.9 Å²	163.9	82%	0.819	82%	0.815	S	S	*	*			trans	-116.2	103.9	157.9	-148.1	179.2	-167.6	-171	1.9	106.2	S17 E21	S17-R19 PolarHBondContact O-N 2.9Å; R19-E21 PolarHBondContact O-N 3.47Å
20	I	28.1	Very low	28.9	Very low	131 Å²	131	168.7 Å²	168.7	67%	0.672	82%	0.822	S	S	*	*			trans	-71.6	114.6	169.4	-66.6	168.9	0	0	0	105.6	E22	I20-E22 HydrophobicContact CG2-CG 3.97Å
21	E	30.4	Very low	29.4	Very low	162 Å²	162	165.2 Å²	165.2	76%	0.757	83%	0.826	S	S	*	*			trans	-104.9	98.4	161.1	-87.6	-179.6	177.7	0	0	107.2	R19	R19-E21 PolarHBondContact O-N 3.47Å
22	E	30.3	Very low	29.6	Very low	167 Å²	167	168.4 Å²	168.4	78%	0.78	83%	0.827	S	S	*	*			trans	-75	113.2	163	-81.3	176.3	155.4	0	0	108.5	I20 T24	I20-E22 HydrophobicContact CG2-CG 3.97Å; E22-T24 PolarHBondContact O-N 3.24Å
23	L	27.6	Very low	29.9	Very low	164 Å²	164	167.2 Å²	167.2	86%	0.859	83%	0.83	S	S	*	*			trans	-71.4	112	157.7	-103.1	95.4	0	0	0	108.2
24	T	31.8	Very low	30	Very low	125 Å²	125	165.8 Å²	165.8	77%	0.767	83%	0.827	S	S	*	*			trans	-124.5	120.1	158.2	45.6	0	0	0	0	110.2	E22	E22-T24 PolarHBondContact O-N 3.24Å
25	N	27.4	Very low	30.3	Very low	161 Å²	161	160.7 Å²	160.7	86%	0.861	82%	0.822	S	S	*	*			trans	-61.9	132	167.2	-74.7	-38.6	0	0	0	110
26	S	32.7	Very low	30.3	Very low	120 Å²	120	157.7 Å²	157.7	84%	0.839	82%	0.816	S	S	*	*			trans	-154.9	142.5	143.5	62.6	0	0	0	0	111.9
27	V	28.8	Very low	30.7	Very low	139 Å²	139	157.9 Å²	157.9	84%	0.842	82%	0.817	S	S	*	*			trans	-94.3	139.5	-174.1	168.5	0	0	0	0	109.3
28	S	31.8	Very low	30.7	Very low	108 Å²	108	159.2 Å²	159.2	76%	0.755	81%	0.814	S	S	*	*			trans	-179.6	111.9	140.5	51.2	0	0	0	0	108.9
29	E	33.1	Very low	31	Very low	190 Å²	190	155.9 Å²	155.9	89%	0.888	81%	0.809	S	S	*	*				68.7	112.5	99.8	-72.9	-166.7	165.1	0	0	115.9
30	H	31.5	Very low	31.3	Very low	189 Å²	189	153 Å²	153	88%	0.875	81%	0.805	S	S	*	*			trans	-59	159.8	168.5	-92.1	-34.8	0	0	0	113.1
31	P	36.4	Very low	31.5	Very low	128 Å²	128	157.3 Å²	157.3	83%	0.831	82%	0.819	S	S	*	*				-153.8	169.4	83.6	35.8	-12.8	0	0	0	118.6
32	K	31.6	Very low	31.5	Very low	193 Å²	193	153.4 Å²	153.4	84%	0.839	81%	0.81	S	S	*	*			trans	-58.2	151.7	-177.4	-60.4	171.2	175.7	178.5	0	115.1
33	H	33.2	Very low	31.7	Very low	192 Å²	192	153.2 Å²	153.2	89%	0.889	81%	0.814	S	S	*	*			trans	-158.1	128.7	137.8	-109.4	-71.9	0	0	0	112.5
34	E	30.1	Very low	32	Very low	179 Å²	179	149.2 Å²	149.2	84%	0.836	81%	0.813	S	S	*	*			trans	-71.1	153.4	157.6	-73.6	173.5	134	0	0	110.2
35	V	33.5	Very low	32	Very low	137 Å²	137	149.9 Å²	149.9	83%	0.83	81%	0.811	S	S	*	*				-178.8	137.1	124	158.8	0	0	0	0	110.4
36	N	27.9	Very low	32.4	Very low	141 Å²	141	154.4 Å²	154.4	75%	0.754	82%	0.816	S	S	*	*			trans	-53.8	150.8	174.4	-69.1	-51.9	0	0	0	115.3
37	H	34.7	Very low	32.4	Very low	190 Å²	190	156.1 Å²	156.1	88%	0.88	81%	0.81	S	S	*	*			trans	-146.4	130	139.4	-103.8	-69.4	0	0	0	112.7
38	I	29.5	Very low	32.7	Very low	138 Å²	138	155.2 Å²	155.2	71%	0.708	81%	0.81	S	S	*	*			trans	-94.5	141.6	172	-68.8	164.2	0	0	0	108.4
39	S	33.3	Very low	32.9	Very low	102 Å²	102	159.2 Å²	159.2	71%	0.713	81%	0.814	S	S	*	*			trans	169.4	111.9	134.7	47.7	0	0	0	0	110.1
40	H	32.7	Very low	33.1	Very low	158 Å²	158	156 Å²	156	73%	0.731	81%	0.809	S	S	*	*				80.5	106.4	102.4	-81	-72.8	0	0	0	115.5
41	F	33.7	Very low	33.4	Very low	220 Å²	220	158.7 Å²	158.7	97%	0.965	81%	0.812	S	S	*	*			trans	-136.4	115.3	134.7	-102.7	-83	0	0	0	108.5
42	S	30.5	Very low	33.1	Very low	80 Å²	80	158 Å²	158	56%	0.559	81%	0.81	S	S	*	*			trans	-106.1	133.6	168.6	49.5	0	0	0	0	108.4
43	D	35	Very low	33.4	Very low	164 Å²	164	160.7 Å²	160.7	88%	0.877	82%	0.815	S	S	*	*				173.1	136.5	119.9	-92.3	-14.4	0	0	0	111.9
44	G	33.8	Very low	33.4	Very low	80 Å²	80	158.7 Å²	158.7	83%	0.825	82%	0.816	S	S	*	*			trans	160.3	40.6	177.2	0	0	0	0	0	115
45	L	32	Very low	33.6	Very low	139 Å²	139	153.5 Å²	153.5	73%	0.728	81%	0.81	S	S	*	*			trans	-77.5	126	171.4	-101.2	142.3	0	0	0	110.9
46	R	34.6	Very low	33.7	Very low	255 Å²	255	158.6 Å²	158.6	96%	0.962	81%	0.814	S	S	*	*			trans	-131.5	116.1	144.4	-98.1	-172	178.8	-174.9	0.7	110.3
47	H	33	Very low	33.8	Very low	156 Å²	156	161 Å²	161	72%	0.722	82%	0.821	S	S	*	*			trans	-70.8	142	172.3	-80.4	-67.2	0	0	0	112.5
48	S	35.9	Very low	33.9	Very low	120 Å²	120	163.3 Å²	163.3	84%	0.839	82%	0.822	S	S	*	*			trans	-143.2	119.1	138.4	60.1	0	0	0	0	109.5
49	K	36.1	Very low	34	Very low	192 Å²	192	161.1 Å²	161.1	84%	0.835	82%	0.819	S	S	*	*			trans	-74.2	162.4	-179.7	-88.5	-178.3	179.1	178.5	0	112.7
50	P	35.8	Very low	34.3	Very low	122 Å²	122	166 Å²	166	79%	0.792	83%	0.828	S	S	*	*			trans	-90.6	159.4	-167.7	36.4	-33.7	0	0	0	113.4
51	R	37.8	Very low	34.4	Very low	247 Å²	247	166.8 Å²	166.8	93%	0.932	84%	0.836	S	S	*	*			trans	-116.3	124.5	163.6	-98.2	-176.4	171.8	172.1	-1.6	110.7
52	S	30.5	Very low	34.4	Very low	112 Å²	112	161.1 Å²	161.1	78%	0.783	82%	0.819	S	S	*	*			trans	-54.4	136.3	169.3	51.8	0	0	0	0	113.5
53	R	37.9	Very low	34.7	Very low	251 Å²	251	164.1 Å²	164.1	95%	0.947	83%	0.829	S	S	*	*			trans	-138.4	121.5	144.1	-106.4	-176.1	179.8	176.8	-0.3	110.5
54	V	33.6	Very low	34.9	Very low	150 Å²	150	165.6 Å²	165.6	91%	0.909	83%	0.828	S	S	*	*			trans	-57.9	140.3	170.1	173.1	0	0	0	0	110.3
55	G	34.6	Very low	35	Very low	69 Å²	69	170.4 Å²	170.4	71%	0.711	83%	0.829	S	S	*	*			trans	162.5	93.9	164.2	0	0	0	0	0	116.2
56	R	34.9	Very low	35.6	Very low	245 Å²	245	171.1 Å²	171.1	93%	0.925	83%	0.832	S	S	*	*			trans	73	99	156.6	-82.1	178.8	169.4	169.2	-2.6	119.5
57	E	30.2	Very low	36.1	Very low	190 Å²	190	163.3 Å²	163.3	89%	0.888	81%	0.812	S	S	*	*			trans	-33.3	127.2	137.2	-63.6	171.3	146.2	0	0	113.2
58	R	36.4	Very low	36.7	Very low	240 Å²	240	163.5 Å²	163.5	91%	0.906	82%	0.819	S	S	*	*			trans	-135.3	102.1	142.1	-86.4	-169.7	175	176.2	-2.3	108.2	F60	R58-F60 PolarHBondContact O-N 2.83Å
59	S	31.7	Very low	37.7	Very low	92 Å²	92	167.5 Å²	167.5	64%	0.643	82%	0.821	S	S	*	*			trans	-54.7	118.3	160.4	51.5	0	0	0	0	109.9
60	F	40.6	Very low	38.8	Very low	205 Å²	205	161.5 Å²	161.5	90%	0.899	80%	0.8	S	S	*	*			trans	-123.6	42.8	163.9	-137.7	-87	0	0	0	109.7	R58	R58-F60 PolarHBondContact O-N 2.83Å
61	L	34.8	Very low	40.6	Very low	174 Å²	174	158.2 Å²	158.2	91%	0.911	78%	0.779	S	S	*	*	S	Bend	trans	-129.6	23.5	173.2	-84.9	172.1	0	0	0	112.1
62	T	32.5	Very low	42.4	Very low	100 Å²	100	154.9 Å²	154.9	61%	0.613	77%	0.771	S	S	*	*			trans	-136.6	80.8	173.7	49.4	0	0	0	0	107.7
63	D	37.3	Very low	44.8	Very low	143 Å²	143	157.6 Å²	157.6	77%	0.765	76%	0.764	S	S	*	*			trans	-178.5	65.7	151.2	-88.7	-20.7	0	0	0	109.6
64	F	39.5	Very low	46.7	Very low	195 Å²	195	148.2 Å²	148.2	86%	0.855	73%	0.732	S	S	*	*			trans	-133.6	72.7	153.5	-97.1	-80.8	0	0	0	107.6	I66	F64-I66 PolarHBondContact O-N 3.41Å
65	H	36	Very low	48.9	Very low	181 Å²	181	145 Å²	145	84%	0.838	71%	0.71	S	S	*	*			trans	-74.5	52.8	172.6	-105.8	-64.1	0	0	0	111.4
66	I	44.9	Very low	51.4	Low	154 Å²	154	146.3 Å²	146.3	79%	0.79	70%	0.699	S	S	*	*	S	Bend	trans	-146.7	45.2	165.1	-44.3	178	0	0	0	110.7	F64	F64-I66 PolarHBondContact O-N 3.41Å
67	V	44.9	Very low	53.9	Low	91 Å²	91	137.5 Å²	137.5	55%	0.552	68%	0.675	S	S	*	*			trans	-150.4	60.5	161.9	-161.3	0	0	0	0	111.3	V70	V67-V70 HydrophobicContact CG1-CB 4.21Å; V67-V70 HydrophobicContact CG1-CG2 4.1Å
68	N	44.3	Very low	56.7	Low	160 Å²	160	135 Å²	135	86%	0.856	66%	0.662	S	S	*	*	S	Bend	trans	-124.4	60.7	163.9	-97.6	-14.3	0	0	0	109.1
69	K	56.8	Low	59.3	Low	205 Å²	205	128.1 Å²	128.1	89%	0.891	64%	0.642	S	S	*	*	S	Bend	trans	-175.7	20.8	164.1	-107.9	173.7	-170	-173.6	0	114.4	P71	K69-P71 WeakPolarHBondContact O-CD 3.41Å
70	V	60.2	Low	62.3	Low	66 Å²	66	131.7 Å²	131.7	40%	0.4	64%	0.643	S	S	.	*			trans	-98.2	109.2	169.5	-177.2	0	0	0	0	107	V67 L74 I75	V67-V70 HydrophobicContact CG1-CB 4.21Å; V67-V70 HydrophobicContact CG1-CG2 4.1Å; V70-L74 HydrophobicContact CG1-CB 3.58Å; V70-L74 HydrophobicContact CG1-CD1 4.05Å; V70-L74 HydrophobicContact CG1-CG 4.44Å; V70-I75 HydrophobicContact CG1-CG1 3.91Å
71	P	73.4	Confident	64.8	Low	52 Å²	52	126 Å²	126	34%	0.338	62%	0.621	S	S	.	*			trans	-54.5	142.8	176.7	-25.6	35.6	0	0	0	111	K69 W73 L74 I75	K69-P71 WeakPolarHBondContact O-CD 3.41Å; P71-W73 HydrophobicContact CB-CD2 4.38Å; P71-W73 HydrophobicContact CB-CG 3.9Å; P71-W73 PolarHBondContact O-N 2.87Å; P71-L74 HydrophobicContact CG-CD1 4.38Å; P71-L74 WeakPolarHBondContact O-CB 3.4Å; P71-L74 PolarHBondContact O-N 3.21Å; P71-I75 PolarHBondContact O-N 2.85Å
72	K	74.7	Confident	67.7	Low	178 Å²	178	119.5 Å²	119.5	77%	0.774	60%	0.597	S	S	*	*	H	α-helix	trans	-52.1	-29.8	176.6	-69.7	-178.2	178.3	179	0	112.7	L74 I75 L76	K72-L74 VanDerWaalsContact C-N 3.35Å; K72-I75 PolarHBondContact O-N 2.85Å; K72-L76 PolarHBondContact O-N 3.31Å
73	W	80.9	Confident	70.7	Confident	169 Å²	169	118.8 Å²	118.8	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-66.3	-30.6	174.5	74.2	-101.9	0	0	0	113.5	P71 S77	P71-W73 HydrophobicContact CB-CD2 4.38Å; P71-W73 HydrophobicContact CB-CG 3.9Å; P71-W73 PolarHBondContact O-N 2.87Å; W73-S77 WeakPolarHBondContact O-CB 3.45Å; W73-S77 PolarHBondContact O-N 3.46Å
74	L	78.6	Confident	73.5	Confident	53 Å²	53	116.8 Å²	116.8	28%	0.277	58%	0.577	S	S	.	*	H	α-helix	trans	-70.2	-42.4	173.4	-79.4	-177.7	0	0	0	111.2	V70 P71 K72 S77 F78	V70-L74 HydrophobicContact CG1-CB 3.58Å; V70-L74 HydrophobicContact CG1-CD1 4.05Å; V70-L74 HydrophobicContact CG1-CG 4.44Å; P71-L74 HydrophobicContact CG-CD1 4.38Å; P71-L74 WeakPolarHBondContact O-CB 3.4Å; P71-L74 PolarHBondContact O-N 3.21Å; K72-L74 VanDerWaalsContact C-N 3.35Å; L74-S77 WeakPolarHBondContact O-CB 3.08Å; L74-S77 PolarHBondContact O-N 3.49Å; L74-F78 WeakPolarHBondContact O-CD2 3.15Å; L74-F78 PolarHBondContact O-N 2.84Å
75	I	80.4	Confident	76.2	Confident	84 Å²	84	111.6 Å²	111.6	43%	0.431	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-46.1	176.3	-60.7	173.5	0	0	0	110.4	V70 P71 K72 S77 F78 I79	V70-I75 HydrophobicContact CG1-CG1 3.91Å; P71-I75 PolarHBondContact O-N 2.85Å; K72-I75 PolarHBondContact O-N 2.85Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-S77 PolarHBondContact O-N 2.81Å; I75-F78 PolarHBondContact O-N 3.29Å; I75-I79 HydrophobicContact CG2-CD1 4.18Å; I75-I79 WeakPolarHBondContact O-CG1 3.2Å; I75-I79 PolarHBondContact O-N 3.46Å
76	L	86	Confident	79.1	Confident	95 Å²	95	108.5 Å²	108.5	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-59.9	-42.9	173.4	-78.1	160.3	0	0	0	111.4	K72 F78 I79 Y80	K72-L76 PolarHBondContact O-N 3.31Å; L76-F78 PolarHBondContact O-N 2.84Å; L76-I79 PolarHBondContact O-N 3.27Å; L76-Y80 WeakPolarHBondContact O-CD2 3.34Å; L76-Y80 PolarHBondContact O-N 2.95Å
77	S	87.1	Confident	81.6	Confident	60 Å²	60	105.8 Å²	105.8	42%	0.42	53%	0.528	S	S	.	.	H	α-helix	trans	-59.9	-42.6	176.3	-174.2	0	0	0	0	112.2	W73 L74 I75 Y80 L81	W73-S77 WeakPolarHBondContact O-CB 3.45Å; W73-S77 PolarHBondContact O-N 3.46Å; L74-S77 WeakPolarHBondContact O-CB 3.08Å; L74-S77 PolarHBondContact O-N 3.49Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-S77 PolarHBondContact O-N 2.81Å; S77-Y80 PolarHBondContact O-N 3.46Å; S77-L81 VanDerWaalsContact O-CB 3.26Å; S77-L81 WeakPolarHBondContact O-CB 3.39Å; S77-L81 PolarHBondContact O-N 2.9Å
78	F	90.1	Very high	84	Confident	139 Å²	139	105.6 Å²	105.6	61%	0.61	53%	0.527	S	S	*	.	H	α-helix	trans	-64.9	-38.3	174.3	-78.6	-66.1	0	0	0	112.8	L74 I75 L76 L81 G82	L74-F78 WeakPolarHBondContact O-CD2 3.15Å; L74-F78 PolarHBondContact O-N 2.84Å; I75-F78 PolarHBondContact O-N 3.29Å; L76-F78 PolarHBondContact O-N 2.84Å; F78-L81 PolarHBondContact O-N 3.37Å; F78-G82 PolarHBondContact O-N 3.31Å
79	I	91.6	Very high	86.5	Confident	95 Å²	95	103.2 Å²	103.2	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-46.7	174.4	-66.5	167.8	0	0	0	110.4	I75 L76 L81 G82 I83	I75-I79 HydrophobicContact CG2-CD1 4.18Å; I75-I79 WeakPolarHBondContact O-CG1 3.2Å; I75-I79 PolarHBondContact O-N 3.46Å; L76-I79 PolarHBondContact O-N 3.27Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 3.32Å; I79-G82 PolarHBondContact O-N 2.9Å; I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 HydrophobicContact CG2-CG1 4.48Å; I79-I83 WeakPolarHBondContact O-CG1 3.31Å; I79-I83 PolarHBondContact O-N 3.4Å
80	Y	92.9	Very high	88.4	Confident	167 Å²	167	97.1 Å²	97.1	66%	0.655	49%	0.489	S	S	*	.	H	α-helix	trans	-60.3	-42.6	175.8	-87.6	-71.5	0	0	0	111.8	L76 S77 I83 L84	L76-Y80 WeakPolarHBondContact O-CD2 3.34Å; L76-Y80 PolarHBondContact O-N 2.95Å; S77-Y80 PolarHBondContact O-N 3.46Å; Y80-I83 PolarHBondContact O-N 3.21Å; Y80-L84 VanDerWaalsContact O-CB 3.29Å; Y80-L84 WeakPolarHBondContact O-CB 3.26Å; Y80-L84 PolarHBondContact O-N 2.86Å
81	L	94.3	Very high	90	Very high	84 Å²	84	96.7 Å²	96.7	44%	0.44	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-42.1	175.3	-176.7	62.7	0	0	0	111.2	S77 F78 I79 L84 I85	S77-L81 VanDerWaalsContact O-CB 3.26Å; S77-L81 WeakPolarHBondContact O-CB 3.39Å; S77-L81 PolarHBondContact O-N 2.9Å; F78-L81 PolarHBondContact O-N 3.37Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 3.32Å; L81-L84 PolarHBondContact O-N 2.86Å; L81-I85 HydrophobicContact CD1-CD1 4.25Å; L81-I85 HydrophobicContact CD1-CG1 4.41Å; L81-I85 HydrophobicContact CG-CD1 3.97Å; L81-I85 WeakPolarHBondContact O-CB 3.25Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.48Å; L81-I85 PolarHBondContact O-N 2.83Å
82	G	95	Very high	91.1	Very high	39 Å²	39	100.3 Å²	100.3	40%	0.402	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-44.5	175.1	0	0	0	0	0	112.8	F78 I79 I85 F86	F78-G82 PolarHBondContact O-N 3.31Å; I79-G82 PolarHBondContact O-N 2.9Å; G82-I85 PolarHBondContact O-N 2.91Å; G82-F86 WeakPolarHBondContact O-CB 3.45Å; G82-F86 PolarHBondContact O-N 3.49Å
83	I	95.7	Very high	92	Very high	85 Å²	85	100.2 Å²	100.2	44%	0.436	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-43.5	174.4	-67.3	168.1	0	0	0	110.4	I79 Y80 F86 L87	I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 HydrophobicContact CG2-CG1 4.48Å; I79-I83 WeakPolarHBondContact O-CG1 3.31Å; I79-I83 PolarHBondContact O-N 3.4Å; Y80-I83 PolarHBondContact O-N 3.21Å; I83-F86 PolarHBondContact O-N 3.38Å; I83-L87 HydrophobicContact CG2-CD1 3.94Å; I83-L87 HydrophobicContact CG2-CG 4.28Å; I83-L87 WeakPolarHBondContact O-CB 3.29Å; I83-L87 VanDerWaalsContact O-CG 3.31Å; I83-L87 WeakPolarHBondContact O-CG 3.33Å; I83-L87 PolarHBondContact O-N 3.26Å
84	L	96	Very high	92.5	Very high	101 Å²	101	98.3 Å²	98.3	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-46.4	177.8	-178.1	64.7	0	0	0	111.3	Y80 L81 F86 L87 V88	Y80-L84 VanDerWaalsContact O-CB 3.29Å; Y80-L84 WeakPolarHBondContact O-CB 3.26Å; Y80-L84 PolarHBondContact O-N 2.86Å; L81-L84 PolarHBondContact O-N 2.86Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 2.84Å; L84-L87 PolarHBondContact O-N 2.89Å; L84-V88 HydrophobicContact CD1-CG2 4.46Å; L84-V88 WeakPolarHBondContact O-CB 3.41Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 3.33Å
85	I	96.6	Very high	93.2	Very high	85 Å²	85	99.9 Å²	99.9	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-44	176	-68.5	166.4	0	0	0	110.2	L81 G82 V88 M89	L81-I85 HydrophobicContact CD1-CD1 4.25Å; L81-I85 HydrophobicContact CD1-CG1 4.41Å; L81-I85 HydrophobicContact CG-CD1 3.97Å; L81-I85 WeakPolarHBondContact O-CB 3.25Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.48Å; L81-I85 PolarHBondContact O-N 2.83Å; G82-I85 PolarHBondContact O-N 2.91Å; I85-V88 PolarHBondContact O-N 2.94Å; I85-M89 HydrophobicContact CG2-CE 4.06Å; I85-M89 HydrophobicContact CG2-CG 4.43Å; I85-M89 HydrophobicContact CG2-SD 4.34Å; I85-M89 WeakPolarHBondContact O-CB 3.47Å; I85-M89 VanDerWaalsContact O-CG 3.31Å; I85-M89 WeakPolarHBondContact O-CG 3.47Å; I85-M89 PolarHBondContact O-N 2.9Å
86	F	96.7	Very high	93.7	Very high	117 Å²	117	99.8 Å²	99.8	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-44.2	176	-179.9	-105.5	0	0	0	112.7	G82 I83 L84 M89 L90	G82-F86 WeakPolarHBondContact O-CB 3.45Å; G82-F86 PolarHBondContact O-N 3.49Å; I83-F86 PolarHBondContact O-N 3.38Å; L84-F86 VanDerWaalsContact C-N 3.33Å; L84-F86 PolarHBondContact O-N 2.84Å; F86-M89 HydrophobicContact CB-CE 4.45Å; F86-M89 HydrophobicContact CD2-CE 4.3Å; F86-M89 PolarHBondContact O-N 2.96Å; F86-L90 HydrophobicContact CD1-CD1 3.88Å; F86-L90 HydrophobicContact CD1-CG 4.46Å; F86-L90 HydrophobicContact CE1-CD1 3.32Å; F86-L90 HydrophobicContact CE1-CG 4.08Å; F86-L90 HydrophobicContact CE2-CD1 4.42Å; F86-L90 HydrophobicContact CE2-CG 4.37Å; F86-L90 HydrophobicContact CZ-CD1 3.63Å; F86-L90 HydrophobicContact CZ-CD2 4.32Å; F86-L90 HydrophobicContact CZ-CG 4.02Å; F86-L90 WeakPolarHBondContact O-CG 3.49Å; F86-L90 PolarHBondContact O-N 3.09Å
87	L	96.8	Very high	93.8	Very high	97 Å²	97	97.7 Å²	97.7	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-40.3	175.5	-71.5	173.9	0	0	0	112.1	I83 L84 L90 A91	I83-L87 HydrophobicContact CG2-CD1 3.94Å; I83-L87 HydrophobicContact CG2-CG 4.28Å; I83-L87 WeakPolarHBondContact O-CB 3.29Å; I83-L87 VanDerWaalsContact O-CG 3.31Å; I83-L87 WeakPolarHBondContact O-CG 3.33Å; I83-L87 PolarHBondContact O-N 3.26Å; L84-L87 PolarHBondContact O-N 2.89Å; L87-L90 PolarHBondContact O-N 3.46Å; L87-A91 WeakPolarHBondContact O-CB 3.29Å; L87-A91 PolarHBondContact O-N 3.38Å
88	V	96.7	Very high	94	Very high	86 Å²	86	101.8 Å²	101.8	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-42.1	174.7	170.4	0	0	0	0	110.9	L84 I85 A91 F92	L84-V88 HydrophobicContact CD1-CG2 4.46Å; L84-V88 WeakPolarHBondContact O-CB 3.41Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.27Å; L84-V88 PolarHBondContact O-N 3.33Å; I85-V88 PolarHBondContact O-N 2.94Å; V88-A91 PolarHBondContact O-N 3.16Å; V88-F92 VanDerWaalsContact O-CB 3.29Å; V88-F92 WeakPolarHBondContact O-CB 3.31Å; V88-F92 PolarHBondContact O-N 3.26Å
89	M	96	Very high	94.1	Very high	111 Å²	111	100.8 Å²	100.8	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-41.1	175.2	-72.3	-172.4	-58.8	0	0	112.1	I85 F86 R93	I85-M89 HydrophobicContact CG2-CE 4.06Å; I85-M89 HydrophobicContact CG2-CG 4.43Å; I85-M89 HydrophobicContact CG2-SD 4.34Å; I85-M89 WeakPolarHBondContact O-CB 3.47Å; I85-M89 VanDerWaalsContact O-CG 3.31Å; I85-M89 WeakPolarHBondContact O-CG 3.47Å; I85-M89 PolarHBondContact O-N 2.9Å; F86-M89 HydrophobicContact CB-CE 4.45Å; F86-M89 HydrophobicContact CD2-CE 4.3Å; F86-M89 PolarHBondContact O-N 2.96Å; M89-R93 WeakPolarHBondContact O-CB 3.32Å; M89-R93 PolarHBondContact O-N 3.19Å
90	L	95.9	Very high	94	Very high	77 Å²	77	99.9 Å²	99.9	40%	0.403	49%	0.49	S	S	.	.	H	α-helix	trans	-64.5	-44.9	174.4	-76.6	178.9	0	0	0	111.9	F86 L87 R93 Q94	F86-L90 HydrophobicContact CD1-CD1 3.88Å; F86-L90 HydrophobicContact CD1-CG 4.46Å; F86-L90 HydrophobicContact CE1-CD1 3.32Å; F86-L90 HydrophobicContact CE1-CG 4.08Å; F86-L90 HydrophobicContact CE2-CD1 4.42Å; F86-L90 HydrophobicContact CE2-CG 4.37Å; F86-L90 HydrophobicContact CZ-CD1 3.63Å; F86-L90 HydrophobicContact CZ-CD2 4.32Å; F86-L90 HydrophobicContact CZ-CG 4.02Å; F86-L90 WeakPolarHBondContact O-CG 3.49Å; F86-L90 PolarHBondContact O-N 3.09Å; L87-L90 PolarHBondContact O-N 3.46Å; L90-R93 PolarHBondContact O-N 3.23Å; L90-Q94 WeakPolarHBondContact O-CB 3.4Å; L90-Q94 PolarHBondContact O-N 3.29Å
91	A	95.3	Very high	93.9	Very high	56 Å²	56	92.8 Å²	92.8	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-45.1	176.7	0	0	0	0	0	111.2	L87 V88 R93 Q94 V95	L87-A91 WeakPolarHBondContact O-CB 3.29Å; L87-A91 PolarHBondContact O-N 3.38Å; V88-A91 PolarHBondContact O-N 3.16Å; A91-R93 PolarHBondContact O-N 3.34Å; A91-Q94 PolarHBondContact O-N 3.06Å; A91-V95 VanDerWaalsContact O-CG2 3.32Å; A91-V95 WeakPolarHBondContact O-CG2 3.48Å; A91-V95 PolarHBondContact O-N 3.27Å
92	F	95.8	Very high	93.8	Very high	129 Å²	129	93.8 Å²	93.8	57%	0.566	47%	0.466	S	S	*	.	H	α-helix	trans	-59.9	-46.2	175.4	-178.2	-99.6	0	0	0	111.5	V88 Q94 V95 M96	V88-F92 VanDerWaalsContact O-CB 3.29Å; V88-F92 WeakPolarHBondContact O-CB 3.31Å; V88-F92 PolarHBondContact O-N 3.26Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 2.7Å; F92-V95 PolarHBondContact O-N 3.28Å; F92-M96 HydrophobicContact CD1-CG 4.11Å; F92-M96 HydrophobicContact CE1-CG 3.7Å; F92-M96 HydrophobicContact CE1-SD 4.37Å; F92-M96 HydrophobicContact CE2-CG 4.28Å; F92-M96 HydrophobicContact CE2-SD 4.35Å; F92-M96 HydrophobicContact CZ-CE 4.47Å; F92-M96 HydrophobicContact CZ-CG 3.79Å; F92-M96 HydrophobicContact CZ-SD 3.91Å; F92-M96 VanDerWaalsContact O-CG 3.3Å; F92-M96 WeakPolarHBondContact O-CG 3.37Å; F92-M96 PolarHBondContact O-N 3.31Å
93	R	93.1	Very high	93.7	Very high	175 Å²	175	93.9 Å²	93.9	66%	0.66	46%	0.456	S	S	*	.	H	α-helix	trans	-58	-44.7	174.7	-179.1	-179.1	173.9	175.4	-0.8	111.5	M89 L90 A91 M96 V97	M89-R93 WeakPolarHBondContact O-CB 3.32Å; M89-R93 PolarHBondContact O-N 3.19Å; L90-R93 PolarHBondContact O-N 3.23Å; A91-R93 PolarHBondContact O-N 3.34Å; R93-M96 PolarHBondContact O-N 3.03Å; R93-V97 WeakPolarHBondContact O-CG2 3.39Å; R93-V97 PolarHBondContact O-N 2.93Å
94	Q	91.3	Very high	93.6	Very high	130 Å²	130	90 Å²	90	61%	0.607	44%	0.436	S	S	*	.	H	α-helix	trans	-65.4	-39.4	179.7	-167.4	61.9	31.7	0	0	112	L90 A91 F92 W98	L90-Q94 WeakPolarHBondContact O-CB 3.4Å; L90-Q94 PolarHBondContact O-N 3.29Å; A91-Q94 PolarHBondContact O-N 3.06Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 2.7Å; Q94-W98 VanDerWaalsContact O-CB 3.31Å; Q94-W98 WeakPolarHBondContact O-CB 3.31Å; Q94-W98 PolarHBondContact O-N 3.43Å
95	V	93.7	Very high	93.4	Very high	85 Å²	85	88.3 Å²	88.3	52%	0.515	43%	0.427	S	S	.	.	H	α-helix	trans	-63.9	-40.7	174	170.5	0	0	0	0	111	A91 F92 W98 Y99	A91-V95 VanDerWaalsContact O-CG2 3.32Å; A91-V95 WeakPolarHBondContact O-CG2 3.48Å; A91-V95 PolarHBondContact O-N 3.27Å; F92-V95 PolarHBondContact O-N 3.28Å; V95-W98 PolarHBondContact O-N 3.33Å; V95-Y99 VanDerWaalsContact O-CB 3.25Å; V95-Y99 WeakPolarHBondContact O-CB 3.25Å; V95-Y99 PolarHBondContact O-N 3.23Å
96	M	91.5	Very high	93.4	Very high	82 Å²	82	86.7 Å²	86.7	40%	0.404	42%	0.421	S	S	.	.	H	α-helix	trans	-66.2	-44.4	177.7	-70.1	-64.6	-80.3	0	0	112.2	F92 R93 Y99 Q100	F92-M96 HydrophobicContact CD1-CG 4.11Å; F92-M96 HydrophobicContact CE1-CG 3.7Å; F92-M96 HydrophobicContact CE1-SD 4.37Å; F92-M96 HydrophobicContact CE2-CG 4.28Å; F92-M96 HydrophobicContact CE2-SD 4.35Å; F92-M96 HydrophobicContact CZ-CE 4.47Å; F92-M96 HydrophobicContact CZ-CG 3.79Å; F92-M96 HydrophobicContact CZ-SD 3.91Å; F92-M96 VanDerWaalsContact O-CG 3.3Å; F92-M96 WeakPolarHBondContact O-CG 3.37Å; F92-M96 PolarHBondContact O-N 3.31Å; R93-M96 PolarHBondContact O-N 3.03Å; M96-Y99 PolarHBondContact O-N 2.82Å; M96-Q100 WeakPolarHBondContact O-CG 3.3Å; M96-Q100 PolarHBondContact O-N 2.89Å
97	V	88	Confident	93.4	Very high	51 Å²	51	83.8 Å²	83.8	31%	0.309	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-46.3	174.6	171.8	0	0	0	0	110.4	R93 Y99 Q100 A101	R93-V97 WeakPolarHBondContact O-CG2 3.39Å; R93-V97 PolarHBondContact O-N 2.93Å; V97-Y99 VanDerWaalsContact C-N 3.3Å; V97-Y99 PolarHBondContact O-N 3.44Å; V97-Q100 PolarHBondContact O-N 3Å; V97-A101 WeakPolarHBondContact O-CB 3.33Å; V97-A101 PolarHBondContact O-N 3.47Å
98	W	91.1	Very high	93.4	Very high	146 Å²	146	80.3 Å²	80.3	55%	0.553	40%	0.396	S	S	*	.	H	α-helix	trans	-59.8	-41.2	175.7	172.3	83.9	0	0	0	112.3	Q94 V95 A101 K102	Q94-W98 VanDerWaalsContact O-CB 3.31Å; Q94-W98 WeakPolarHBondContact O-CB 3.31Å; Q94-W98 PolarHBondContact O-N 3.43Å; V95-W98 PolarHBondContact O-N 3.33Å; W98-A101 PolarHBondContact O-N 2.9Å; W98-K102 HydrophobicContact CH2-CD 3.82Å; W98-K102 HydrophobicContact CZ2-CD 3.78Å; W98-K102 HydrophobicContact CZ3-CD 4.46Å; W98-K102 WeakPolarHBondContact O-CB 3.44Å; W98-K102 PolarHBondContact O-N 3.39Å
99	Y	93	Very high	93.3	Very high	118 Å²	118	85.1 Å²	85.1	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-45.9	178.5	-178.9	-102.8	0	0	0	111.4	V95 M96 V97 K102 Q103	V95-Y99 VanDerWaalsContact O-CB 3.25Å; V95-Y99 WeakPolarHBondContact O-CB 3.25Å; V95-Y99 PolarHBondContact O-N 3.23Å; M96-Y99 PolarHBondContact O-N 2.82Å; V97-Y99 VanDerWaalsContact C-N 3.3Å; V97-Y99 PolarHBondContact O-N 3.44Å; Y99-K102 PolarHBondContact O-N 2.96Å; Y99-Q103 HydrophobicContact CD1-CG 4.35Å; Y99-Q103 HydrophobicContact CE1-CG 4.02Å; Y99-Q103 WeakPolarHBondContact O-CG 3.35Å; Y99-Q103 PolarHBondContact O-N 3.27Å; Y99-Q103 PolarHBondContact OH-NE2 3.2Å
100	Q	88.8	Confident	93.2	Very high	77 Å²	77	82.7 Å²	82.7	36%	0.36	40%	0.401	S	S	.	.	H	α-helix	trans	-60	-47.9	174.9	-73.3	174.1	-32.8	0	0	111.6	M96 V97 K102 Q103 V104 D425	M96-Q100 WeakPolarHBondContact O-CG 3.3Å; M96-Q100 PolarHBondContact O-N 2.89Å; V97-Q100 PolarHBondContact O-N 3Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.78Å; Q100-Q103 PolarHBondContact O-N 3.33Å; Q100-Q103 VanDerWaalsContact O-N 3.12Å; Q100-V104 PolarHBondContact O-N 2.85Å; Q100-V104 VanDerWaalsContact O-N 3.16Å; Q100-D425 HydrophobicContact CB-CB 4.13Å
101	A	90.1	Very high	93.1	Very high	17 Å²	17	83.5 Å²	83.5	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-55.1	-44.7	175.6	0	0	0	0	0	111.6	V97 W98 V104 D425 I426	V97-A101 WeakPolarHBondContact O-CB 3.33Å; V97-A101 PolarHBondContact O-N 3.47Å; W98-A101 PolarHBondContact O-N 2.9Å; A101-V104 PolarHBondContact O-N 3.38Å; A101-D425 HydrophobicContact CB-CB 4.45Å; A101-D425 WeakPolarHBondContact CB-O 3.45Å; A101-I426 HydrophobicContact CB-CG1 3.94Å
102	K	93.1	Very high	93	Very high	105 Å²	105	84.9 Å²	84.9	46%	0.457	41%	0.407	S	S	.	.	H	α-helix	trans	-65.9	-40.5	178.3	-171.7	174.3	-177.5	179.6	0	112	W98 Y99 Q100 V104 I105 T106	W98-K102 HydrophobicContact CH2-CD 3.82Å; W98-K102 HydrophobicContact CZ2-CD 3.78Å; W98-K102 HydrophobicContact CZ3-CD 4.46Å; W98-K102 WeakPolarHBondContact O-CB 3.44Å; W98-K102 PolarHBondContact O-N 3.39Å; Y99-K102 PolarHBondContact O-N 2.96Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.78Å; K102-V104 VanDerWaalsContact C-N 3.28Å; K102-V104 PolarHBondContact O-N 2.84Å; K102-I105 WeakPolarHBondContact O-CG1 3.47Å; K102-I105 PolarHBondContact O-N 2.86Å; K102-T106 WeakPolarHBondContact O-CB 3.46Å; K102-T106 PolarHBondContact O-N 2.8Å; K102-T106 VanDerWaalsContact O-N 3.13Å; K102-T106 PolarHBondContact O-OG1 2.68Å
103	Q	93.1	Very high	92.9	Very high	42 Å²	42	78.7 Å²	78.7	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-34.3	178.4	-73.8	179.8	-51	0	0	112.7	Y99 Q100 I105 T106 A484 N485	Y99-Q103 HydrophobicContact CD1-CG 4.35Å; Y99-Q103 HydrophobicContact CE1-CG 4.02Å; Y99-Q103 WeakPolarHBondContact O-CG 3.35Å; Y99-Q103 PolarHBondContact O-N 3.27Å; Y99-Q103 PolarHBondContact OH-NE2 3.2Å; Q100-Q103 PolarHBondContact O-N 3.33Å; Q100-Q103 VanDerWaalsContact O-N 3.12Å; Q103-I105 VanDerWaalsContact C-N 3.26Å; Q103-I105 PolarHBondContact O-N 3.35Å; Q103-T106 PolarHBondContact O-N 2.65Å; Q103-A484 HydrophobicContact CB-CB 4.11Å; Q103-A484 HydrophobicContact CG-CB 4.25Å; Q103-N485 WeakPolarHBondContact CB-OD1 3.32Å; Q103-N485 PolarHBondContact OE1-OD1 2.77Å
104	V	92.4	Very high	92.7	Very high	2 Å²	2	71 Å²	71	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-36.8	178.3	172.6	0	0	0	0	112	Q100 A101 K102 V421 I426 N483	Q100-V104 PolarHBondContact O-N 2.85Å; Q100-V104 VanDerWaalsContact O-N 3.16Å; A101-V104 PolarHBondContact O-N 3.38Å; K102-V104 VanDerWaalsContact C-N 3.28Å; K102-V104 PolarHBondContact O-N 2.84Å; V104-V421 HydrophobicContact CG1-CG1 3.96Å; V104-I426 HydrophobicContact CB-CD1 4.03Å; V104-I426 HydrophobicContact CG1-CD1 3.8Å; V104-N483 WeakPolarHBondContact CA-ND2 3.33Å; V104-N483 WeakPolarHBondContact O-CB 3.37Å; V104-N483 PolarHBondContact O-ND2 3.1Å; V104-N483 VanDerWaalsContact O-ND2 3.14Å
105	I	93.3	Very high	91.9	Very high	66 Å²	66	66.2 Å²	66.2	34%	0.338	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.2	-178.3	62	170.9	0	0	0	113.9	K102 Q103 I426 V431 W434	K102-I105 WeakPolarHBondContact O-CG1 3.47Å; K102-I105 PolarHBondContact O-N 2.86Å; Q103-I105 VanDerWaalsContact C-N 3.26Å; Q103-I105 PolarHBondContact O-N 3.35Å; I105-I426 HydrophobicContact CG2-CD1 3.74Å; I105-V431 HydrophobicContact CG2-CG2 3.65Å; I105-W434 VanDerWaalsContact O-CE3 3.3Å
106	T	95.9	Very high	90.5	Very high	51 Å²	51	66.3 Å²	66.3	31%	0.313	33%	0.33	S	S	.	.	S	Bend	trans	-110.3	133.8	177.4	-60	0	0	0	0	109.5	K102 Q103 W434 N483 A484	K102-T106 WeakPolarHBondContact O-CB 3.46Å; K102-T106 PolarHBondContact O-N 2.8Å; K102-T106 VanDerWaalsContact O-N 3.13Å; K102-T106 PolarHBondContact O-OG1 2.68Å; Q103-T106 PolarHBondContact O-N 2.65Å; T106-W434 WeakPolarHBondContact O-CZ3 3.49Å; T106-N483 CarbonylContact O-C 3.6Å; T106-N483 VanDerWaalsContact O-CA 3.29Å; T106-N483 WeakPolarHBondContact O-CA 3.46Å; T106-N483 WeakPolarHBondContact O-CB 3.5Å; T106-A484 PolarHBondContact O-N 3.17Å
107	P	96.2	Very high	88.5	Confident	57 Å²	57	65.4 Å²	65.4	37%	0.37	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-63.8	152.3	174.8	24.7	-32.3	0	0	0	111.6	H109 W434	P107-H109 PolarHBondContact O-N 3.11Å; P107-W434 HydrophobicContact CB-CD2 3.88Å; P107-W434 HydrophobicContact CB-CE3 4.32Å; P107-W434 HydrophobicContact CB-CG 4.38Å; P107-W434 HydrophobicContact CB-CH2 4.25Å; P107-W434 HydrophobicContact CB-CZ2 3.76Å; P107-W434 HydrophobicContact CB-CZ3 4.49Å; P107-W434 HydrophobicContact CG-CD2 4.11Å; P107-W434 HydrophobicContact CG-CE3 4.45Å; P107-W434 HydrophobicContact CG-CG 4.31Å
108	L	96.6	Very high	86.6	Confident	24 Å²	24	63.3 Å²	63.3	13%	0.126	32%	0.323	C	S	.	.			trans	-58.4	127.5	173.1	-177	61.2	0	0	0	111.2	L110 M482 R551 V554	L108-L110 HydrophobicContact CD2-CD1 3.73Å; L108-L110 HydrophobicContact CD2-CG 4.24Å; L108-L110 HydrophobicContact CG-CB 4.38Å; L108-L110 HydrophobicContact CG-CD1 4.11Å; L108-L110 HydrophobicContact CG-CG 4.08Å; L108-L110 PolarHBondContact O-N 3.03Å; L108-M482 HydrophobicContact CB-CB 4.41Å; L108-M482 WeakPolarHBondContact CB-O 3.38Å; L108-M482 HydrophobicContact CD2-CB 4.49Å; L108-M482 HydrophobicContact CD2-CG 4.31Å; L108-M482 HydrophobicContact CD2-SD 3.6Å; L108-M482 VanDerWaalsContact CD2-SD 3.6Å; L108-M482 PolarHBondContact N-O 3.41Å; L108-R551 HydrophobicContact CD2-CB 4.47Å; L108-R551 HydrophobicContact CD2-CG 4.1Å; L108-V554 HydrophobicContact CD1-CG1 4.09Å; L108-V554 HydrophobicContact CD1-CG2 4.4Å; L108-V554 HydrophobicContact CD2-CB 4.4Å; L108-V554 HydrophobicContact CD2-CG1 4.35Å
109	H	95.2	Very high	84.6	Confident	187 Å²	187	57.2 Å²	57.2	87%	0.866	30%	0.301	S	S	*	.	S	Bend	trans	-79.8	65.2	-178.3	-165	80	0	0	0	112.1	P107	P107-H109 PolarHBondContact O-N 3.11Å
110	L	94.8	Very high	82.3	Confident	59 Å²	59	56.3 Å²	56.3	31%	0.309	30%	0.301	S	S	.	.	S	Bend	trans	-133	155.6	173	-70.5	179.4	0	0	0	110.1	L108 K112 P550 R551	L108-L110 HydrophobicContact CD2-CD1 3.73Å; L108-L110 HydrophobicContact CD2-CG 4.24Å; L108-L110 HydrophobicContact CG-CB 4.38Å; L108-L110 HydrophobicContact CG-CD1 4.11Å; L108-L110 HydrophobicContact CG-CG 4.08Å; L108-L110 PolarHBondContact O-N 3.03Å; L110-K112 PolarHBondContact O-N 3.38Å; L110-P550 HydrophobicContact CD1-CB 3.91Å; L110-P550 HydrophobicContact CD1-CG 4.18Å; L110-R551 VanDerWaalsContact C-NH2 3.3Å; L110-R551 HydrophobicContact CD1-CG 3.73Å; L110-R551 PolarHBondContact O-NH2 2.77Å
111	P	93.1	Very high	80.1	Confident	94 Å²	94	59.9 Å²	59.9	61%	0.61	32%	0.318	S	S	*	.			trans	-56.8	129.3	174.4	-22.7	33.2	0	0	0	111.1	V113 L547 R551	P111-V113 PolarHBondContact O-N 3.27Å; P111-L547 HydrophobicContact CB-CD2 4.28Å; P111-R551 PolarHBondContact O-NH2 3.48Å
112	K	92.4	Very high	78.2	Confident	85 Å²	85	64.5 Å²	64.5	37%	0.37	33%	0.332	S	S	.	.			trans	-54.3	138.5	178.5	-76	-173.1	175.9	176.1	0	110.9	L110 I114 D116 D480	L110-K112 PolarHBondContact O-N 3.38Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-D116 IonicContact NZ-OD1 3.79Å; K112-D116 PolarHBondContact NZ-OD1 2.96Å; K112-D116 IonicContact NZ-OD2 3.72Å; K112-D116 PolarHBondContact NZ-OD2 2.94Å; K112-D480 WeakPolarHBondContact CA-OD1 3.49Å
113	V	93.7	Very high	76.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-67.2	-44.9	173.2	-173.2	0	0	0	0	109.1	P111 D480 W544 L547 I548	P111-V113 PolarHBondContact O-N 3.27Å; V113-D480 PolarHBondContact N-OD1 2.84Å; V113-D480 PolarHBondContact N-OD2 3.11Å; V113-W544 VanDerWaalsContact CG1-CD1 3.48Å; V113-W544 HydrophobicContact CG1-CG 4.5Å; V113-L547 HydrophobicContact CG2-CB 4.37Å; V113-I548 HydrophobicContact CG1-CG2 3.91Å; V113-I548 HydrophobicContact CG2-CG2 3.95Å
114	I	90	Very high	75.7	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.072	32%	0.322	C	S	.	.	S	Bend	trans	-104.8	97.4	175.9	-46.2	-55.7	0	0	0	107.5	K112 D480	K112-I114 VanDerWaalsContact C-N 3.35Å; I114-D480 PolarHBondContact N-OD2 3.38Å
115	S	73.2	Confident	75.2	Confident	28 Å²	28	63.3 Å²	63.3	20%	0.196	33%	0.334	C	S	.	.			trans	-74	147.3	-178.8	53.2	0	0	0	0	111.6	A117 S118 L119 R122	S115-A117 VanDerWaalsContact C-N 3.28Å; S115-A117 PolarHBondContact O-N 3.15Å; S115-S118 WeakPolarHBondContact CA-OG 3.41Å; S115-S118 PolarHBondContact N-OG 3.38Å; S115-S118 WeakPolarHBondContact O-CA 3.41Å; S115-S118 WeakPolarHBondContact O-CB 3.3Å; S115-S118 PolarHBondContact O-N 3.01Å; S115-S118 PolarHBondContact O-OG 3.43Å; S115-S118 WeakPolarHBondContact OG-CB 3.35Å; S115-S118 PolarHBondContact OG-N 2.86Å; S115-S118 PolarHBondContact OG-OG 3.01Å; S115-L119 PolarHBondContact O-N 2.92Å; S115-R122 PolarHBondContact OG-NH1 3.42Å; S115-R122 PolarHBondContact OG-NH2 3.01Å
116	D	64.4	Low	75	Confident	88 Å²	88	60.2 Å²	60.2	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-37.6	179.1	-57	-42.4	0	0	0	111.1	K112 S118 L119	K112-D116 IonicContact NZ-OD1 3.79Å; K112-D116 PolarHBondContact NZ-OD1 2.96Å; K112-D116 IonicContact NZ-OD2 3.72Å; K112-D116 PolarHBondContact NZ-OD2 2.94Å; D116-S118 PolarHBondContact O-N 3.15Å; D116-L119 WeakPolarHBondContact O-CB 3.31Å; D116-L119 PolarHBondContact O-N 3.39Å
117	A	50.8	Low	74.7	Confident	62 Å²	62	58.6 Å²	58.6	51%	0.512	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-27.1	170.7	0	0	0	0	0	113.6	S115 L119 H120 E121	S115-A117 VanDerWaalsContact C-N 3.28Å; S115-A117 PolarHBondContact O-N 3.15Å; A117-L119 VanDerWaalsContact C-N 3.3Å; A117-L119 PolarHBondContact O-N 3.12Å; A117-H120 PolarHBondContact O-N 3.45Å; A117-E121 PolarHBondContact O-N 3.18Å; A117-E121 VanDerWaalsContact O-N 3.1Å
118	S	46.9	Very low	74.5	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-77.2	-15.2	178.9	63	0	0	0	0	114.2	S115 D116 H120 R122	S115-S118 WeakPolarHBondContact CA-OG 3.41Å; S115-S118 PolarHBondContact N-OG 3.38Å; S115-S118 WeakPolarHBondContact O-CA 3.41Å; S115-S118 WeakPolarHBondContact O-CB 3.3Å; S115-S118 PolarHBondContact O-N 3.01Å; S115-S118 PolarHBondContact O-OG 3.43Å; S115-S118 WeakPolarHBondContact OG-CB 3.35Å; S115-S118 PolarHBondContact OG-N 2.86Å; S115-S118 PolarHBondContact OG-OG 3.01Å; D116-S118 PolarHBondContact O-N 3.15Å; S118-H120 PolarHBondContact O-N 3.19Å; S118-R122 PolarHBondContact O-N 3.47Å
119	L	50.2	Low	74.4	Confident	18 Å²	18	54.9 Å²	54.9	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-30	169.9	-65.5	170.6	0	0	0	111.4	S115 D116 A117 R142	S115-L119 PolarHBondContact O-N 2.92Å; D116-L119 WeakPolarHBondContact O-CB 3.31Å; D116-L119 PolarHBondContact O-N 3.39Å; A117-L119 VanDerWaalsContact C-N 3.3Å; A117-L119 PolarHBondContact O-N 3.12Å; L119-R142 HydrophobicContact CD2-CB 3.97Å
120	H	44.8	Very low	74.5	Confident	99 Å²	99	46.3 Å²	46.3	46%	0.458	25%	0.245	S	C	.	.	H	α-helix	trans	-91.6	-37.5	175.2	-66.2	-39.3	0	0	0	112.7	A117 S118 H124 F127	A117-H120 PolarHBondContact O-N 3.45Å; S118-H120 PolarHBondContact O-N 3.19Å; H120-H124 PolarHBondContact O-CD2 2.71Å; H120-H124 PolarHBondContact O-NE2 3.05Å; H120-F127 AromaticContact CE1-CE2 3.85Å; H120-F127 AromaticContact ND1-CE2 3.8Å
121	E	42.9	Very low	74.6	Confident	153 Å²	153	43.9 Å²	43.9	72%	0.715	23%	0.232	S	C	*	.	H	α-helix	trans	-101.4	-36.3	-173.1	-70.3	-179.3	167.3	0	0	116.2	A117	A117-E121 PolarHBondContact O-N 3.18Å; A117-E121 VanDerWaalsContact O-N 3.1Å
122	R	49.7	Very low	74.8	Confident	114 Å²	114	39.7 Å²	39.7	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-18.4	-167.1	-65.9	-171.3	-166.2	142.5	4.2	114.9	S115 S118 R543	S115-R122 PolarHBondContact OG-NH1 3.42Å; S115-R122 PolarHBondContact OG-NH2 3.01Å; S118-R122 PolarHBondContact O-N 3.47Å; R122-R543 VanDerWaalsContact NH1-CZ 3.35Å
123	S	60.5	Low	75	Confident	22 Å²	22	35.8 Å²	35.8	15%	0.154	19%	0.188	C	C	.	.			trans	-151.8	74.2	173.3	-138	0	0	0	0	111.3	S125 L126 F127 R184	S123-S125 PolarHBondContact O-N 3.25Å; S123-S125 VanDerWaalsContact O-N 3.08Å; S123-S125 PolarHBondContact OG-OG 2.83Å; S123-L126 PolarHBondContact O-N 3.21Å; S123-L126 WeakPolarHBondContact OG-CG 3.5Å; S123-F127 PolarHBondContact O-N 3.08Å; S123-R184 PolarHBondContact OG-NH1 3.3Å
124	H	72.6	Confident	75.1	Confident	64 Å²	64	36.2 Å²	36.2	30%	0.296	19%	0.192	S	C	.	.	H	α-helix	trans	-43.7	-41.7	165.7	-72.2	-157.9	0	0	0	110.1	H120 L126 F127 D208 F209 G211	H120-H124 PolarHBondContact O-CD2 2.71Å; H120-H124 PolarHBondContact O-NE2 3.05Å; H124-L126 VanDerWaalsContact C-N 3.28Å; H124-L126 PolarHBondContact O-N 3.4Å; H124-F127 WeakPolarHBondContact O-CB 3.37Å; H124-F127 PolarHBondContact O-N 3.12Å; H124-F127 VanDerWaalsContact O-N 3.16Å; H124-D208 PolarHBondContact ND1-O 2.93Å; H124-F209 PolarHBondContact CE1-O 2.79Å; H124-F209 PolarHBondContact ND1-O 3.33Å; H124-G211 WeakPolarHBondContact O-CA 3.28Å
125	S	82.7	Confident	75.4	Confident	37 Å²	37	35.6 Å²	35.6	26%	0.259	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-21.2	176.7	73.2	0	0	0	0	116.1	S123 R184 K204	S123-S125 PolarHBondContact O-N 3.25Å; S123-S125 VanDerWaalsContact O-N 3.08Å; S123-S125 PolarHBondContact OG-OG 2.83Å; S125-R184 PolarHBondContact OG-NH1 2.64Å; S125-K204 PolarHBondContact O-NZ 2.81Å
126	L	88.8	Confident	76.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-105.4	1.9	177.2	-58.5	176.8	0	0	0	112.8	S123 H124 Y131 R142 R184 L470 E473	S123-L126 PolarHBondContact O-N 3.21Å; S123-L126 WeakPolarHBondContact OG-CG 3.5Å; H124-L126 VanDerWaalsContact C-N 3.28Å; H124-L126 PolarHBondContact O-N 3.4Å; L126-Y131 WeakPolarHBondContact CA-OH 3.48Å; L126-Y131 VanDerWaalsContact O-CE2 3.3Å; L126-Y131 WeakPolarHBondContact O-CE2 3.37Å; L126-Y131 PolarHBondContact O-OH 3.31Å; L126-Y131 VanDerWaalsContact O-OH 3.06Å; L126-R142 WeakPolarHBondContact O-CD 3.34Å; L126-R142 WeakPolarHBondContact O-CG 3.21Å; L126-R184 HydrophobicContact CD2-CG 3.85Å; L126-L470 HydrophobicContact CD1-CD2 3.91Å; L126-L470 HydrophobicContact CD2-CD2 3.55Å; L126-L470 HydrophobicContact CG-CD2 4.4Å; L126-E473 HydrophobicContact CD1-CG 4.04Å
127	F	89.1	Confident	78.2	Confident	17 Å²	17	30.3 Å²	30.3	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-51.2	-177.4	-179.7	-115.8	0	0	0	110.7	H120 S123 H124 H141 R142 L268	H120-F127 AromaticContact CE1-CE2 3.85Å; H120-F127 AromaticContact ND1-CE2 3.8Å; S123-F127 PolarHBondContact O-N 3.08Å; H124-F127 WeakPolarHBondContact O-CB 3.37Å; H124-F127 PolarHBondContact O-N 3.12Å; H124-F127 VanDerWaalsContact O-N 3.16Å; F127-H141 HydrophobicContact CD1-CB 4.12Å; F127-H141 HydrophobicContact CD2-CB 4.33Å; F127-H141 HydrophobicContact CE1-CB 3.72Å; F127-H141 HydrophobicContact CE2-CB 3.95Å; F127-H141 AromaticContact CE2-CD2 3.75Å; F127-H141 HydrophobicContact CG-CB 4.41Å; F127-H141 HydrophobicContact CZ-CB 3.63Å; F127-H141 AromaticContact CZ-CD2 3.41Å; F127-H141 VanDerWaalsContact CZ-CD2 3.41Å; F127-H141 WeakPolarHBondContact CZ-CD2 3.29Å; F127-H141 AromaticContact CZ-CG 3.75Å; F127-H141 CarbonylContact O-C 3.57Å; F127-H141 WeakPolarHBondContact O-CA 3.45Å; F127-R142 PolarHBondContact O-N 2.94Å; F127-L268 HydrophobicContact CE1-CD2 3.57Å; F127-L268 HydrophobicContact CZ-CD2 3.8Å
128	W	91.7	Very high	80.4	Confident	1 Å²	1	27.5 Å²	27.5	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149	168.6	-79.3	94.5	0	0	0	112.8	Y131 M139 K140 H141 L147 K204 S212 W214 L268 F352	W128-Y131 VanDerWaalsContact C-CE2 3.45Å; W128-M139 HydrophobicContact CE3-CB 4.18Å; W128-M139 HydrophobicContact CZ3-CB 4.34Å; W128-K140 VanDerWaalsContact CZ3-C 3.49Å; W128-K140 VanDerWaalsContact CZ3-CA 3.42Å; W128-H141 HydrophobicContact CD2-CB 3.85Å; W128-H141 HydrophobicContact CE3-CB 4.29Å; W128-H141 HydrophobicContact CG-CB 4.23Å; W128-H141 HydrophobicContact CH2-CB 4.43Å; W128-H141 AromaticContact CH2-ND1 3.8Å; W128-H141 HydrophobicContact CZ2-CB 4.02Å; W128-H141 AromaticContact CZ2-ND1 3.65Å; W128-L147 HydrophobicContact CH2-CB 4.03Å; W128-L147 HydrophobicContact CH2-CD2 4.29Å; W128-L147 HydrophobicContact CH2-CG 4.33Å; W128-L147 WeakPolarHBondContact CH2-O 3.27Å; W128-K204 HydrophobicContact CB-CD 4.23Å; W128-K204 PolarHBondContact O-NZ 2.93Å; W128-S212 PolarHBondContact NE1-O 3.13Å; W128-S212 VanDerWaalsContact NE1-O 3.16Å; W128-W214 AromaticContact CD2-CD1 3.81Å; W128-W214 AromaticContact CD2-NE1 3.43Å; W128-W214 AromaticContact CE2-NE1 3.7Å; W128-W214 AromaticContact CE3-NE1 3.46Å; W128-W214 AromaticContact CG-CD1 3.81Å; W128-W214 AromaticContact CG-NE1 3.95Å; W128-W214 HydrophobicContact CZ3-CZ2 4.36Å; W128-W214 AromaticContact CZ3-NE1 3.79Å; W128-L268 HydrophobicContact CZ2-CD1 4.12Å; W128-L268 HydrophobicContact CZ2-CD2 4.1Å; W128-F352 HydrophobicContact CZ2-CE1 4.04Å; W128-F352 HydrophobicContact CZ2-CE2 4.29Å; W128-F352 AromaticContact CZ2-CZ 3.91Å; W128-F352 HydrophobicContact CZ2-CZ 3.91Å; W128-F352 AromaticContact NE1-CE1 3.99Å
129	G	94.8	Very high	82.9	Confident	3 Å²	3	27.1 Å²	27.1	3%	0.031	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	179.9	166.8	0	0	0	0	0	112.1	Y131 M139 K140	G129-Y131 PolarHBondContact O-N 3.27Å; G129-M139 WeakPolarHBondContact O-CA 3.38Å; G129-M139 WeakPolarHBondContact O-CB 3.45Å; G129-K140 PolarHBondContact N-O 3Å; G129-K140 PolarHBondContact O-N 2.97Å
130	S	97.4	Very high	85	Confident	6 Å²	6	27.4 Å²	27.4	4%	0.042	13%	0.133	C	C	.	.			trans	-71.3	40.5	175.8	50.4	0	0	0	0	112.9	R132 G138 H181	S130-R132 PolarHBondContact O-N 3.24Å; S130-G138 CarbonylContact C-O 3.6Å; S130-G138 VanDerWaalsContact CA-O 3.26Å; S130-G138 WeakPolarHBondContact CA-O 3.34Å; S130-H181 PolarHBondContact OG-NE2 3.38Å
131	Y	97.3	Very high	87.2	Confident	8 Å²	8	22.7 Å²	22.7	3%	0.031	11%	0.111	C	C	.	.			trans	-78.2	28	-164.6	-56.5	-36.7	0	0	0	115.2	L126 W128 G129 P133 K140 R142 I412 F414 F439	L126-Y131 WeakPolarHBondContact CA-OH 3.48Å; L126-Y131 VanDerWaalsContact O-CE2 3.3Å; L126-Y131 WeakPolarHBondContact O-CE2 3.37Å; L126-Y131 PolarHBondContact O-OH 3.31Å; L126-Y131 VanDerWaalsContact O-OH 3.06Å; W128-Y131 VanDerWaalsContact C-CE2 3.45Å; G129-Y131 PolarHBondContact O-N 3.27Å; Y131-P133 VanDerWaalsContact C-CD 3.45Å; Y131-K140 WeakPolarHBondContact CD2-O 3.21Å; Y131-R142 HydrophobicContact CD2-CG 3.98Å; Y131-R142 HydrophobicContact CE2-CG 3.72Å; Y131-I412 WeakPolarHBondContact CA-O 3.41Å; Y131-I412 HydrophobicContact CD1-CG2 4.32Å; Y131-I412 HydrophobicContact CE1-CG2 4.37Å; Y131-F414 HydrophobicContact CD2-CB 4.27Å; Y131-F414 HydrophobicContact CG-CB 4.23Å; Y131-F414 PolarHBondContact O-N 2.64Å; Y131-F439 AromaticContact CD1-CE2 3.82Å; Y131-F439 HydrophobicContact CD1-CE2 3.82Å; Y131-F439 AromaticContact CE1-CE2 3.45Å; Y131-F439 HydrophobicContact CE1-CE2 3.45Å; Y131-F439 VanDerWaalsContact CE1-CE2 3.45Å; Y131-F439 AromaticContact CE1-CZ 3.92Å; Y131-F439 HydrophobicContact CE1-CZ 3.92Å; Y131-F439 HydrophobicContact CE2-CE2 4.2Å; Y131-F439 HydrophobicContact CG-CE2 4.36Å; Y131-F439 AromaticContact CZ-CE2 3.65Å
132	R	97.3	Very high	89.5	Confident	7 Å²	7	15.9 Å²	15.9	3%	0.026	8%	0.079	C	C	.	.			trans	-125.8	67.5	178.2	-61.3	-172.9	67.6	-153.6	-6.9	110.3	S130 G134 I135 K140 F149 Y237 E497	S130-R132 PolarHBondContact O-N 3.24Å; R132-G134 PolarHBondContact O-N 3.1Å; R132-G134 VanDerWaalsContact O-N 3.1Å; R132-I135 HydrophobicContact CB-CD1 4.14Å; R132-I135 HydrophobicContact CB-CG1 4.01Å; R132-I135 WeakPolarHBondContact O-CG1 3.45Å; R132-I135 PolarHBondContact O-N 2.72Å; R132-K140 HydrophobicContact CG-CB 4.38Å; R132-K140 HydrophobicContact CG-CD 3.7Å; R132-K140 HydrophobicContact CG-CG 3.92Å; R132-F149 PolarHBondContact NH1-O 3.39Å; R132-Y237 PolarHBondContact NH1-OH 3.21Å; R132-Y237 PolarHBondContact NH2-OH 3.04Å; R132-E497 IonicContact CZ-OE1 3.92Å; R132-E497 IonicContact CZ-OE2 2.95Å; R132-E497 IonicContact NE-OE1 3.75Å; R132-E497 IonicContact NE-OE2 3.87Å; R132-E497 PolarHBondContact NE-OE2 2.77Å; R132-E497 IonicContact NH2-OE1 3.03Å; R132-E497 PolarHBondContact NH2-OE1 3.42Å; R132-E497 IonicContact NH2-OE2 3.64Å; R132-E497 PolarHBondContact NH2-OE2 3.16Å
133	P	96.9	Very high	91.3	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.019	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.1	-170.3	22.6	-33.5	0	0	0	114.2	Y131 I135 F415 T442 R445	Y131-P133 VanDerWaalsContact C-CD 3.45Å; P133-I135 PolarHBondContact O-N 3.24Å; P133-F415 HydrophobicContact CG-CZ 4.05Å; P133-T442 HydrophobicContact CB-CG2 4.3Å; P133-T442 HydrophobicContact CG-CG2 3.67Å; P133-R445 HydrophobicContact CB-CG 4.05Å; P133-R445 WeakPolarHBondContact O-CB 3.3Å; P133-R445 WeakPolarHBondContact O-CG 3.45Å; P133-R445 PolarHBondContact O-NE 2.91Å
134	G	95.5	Very high	92.7	Very high	9 Å²	9	12.3 Å²	12.3	9%	0.093	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.5	-179.1	0	0	0	0	0	116.1	R132 C167 R445 P449	R132-G134 PolarHBondContact O-N 3.1Å; R132-G134 VanDerWaalsContact O-N 3.1Å; G134-C167 PolarHBondContact O-N 3.02Å; G134-C167 VanDerWaalsContact O-N 3.11Å; G134-R445 WeakPolarHBondContact CA-O 3.4Å; G134-P449 VanDerWaalsContact CA-CB 3.47Å
135	I	96.1	Very high	93.4	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-118.7	160.5	177	64.8	172.1	0	0	0	111	R132 P133 F137 H165 C167 Y237 R445	R132-I135 HydrophobicContact CB-CD1 4.14Å; R132-I135 HydrophobicContact CB-CG1 4.01Å; R132-I135 WeakPolarHBondContact O-CG1 3.45Å; R132-I135 PolarHBondContact O-N 2.72Å; P133-I135 PolarHBondContact O-N 3.24Å; I135-F137 VanDerWaalsContact C-N 3.34Å; I135-F137 WeakPolarHBondContact CD1-O 3.15Å; I135-F137 PolarHBondContact O-N 2.86Å; I135-H165 WeakPolarHBondContact CA-O 3.38Å; I135-H165 WeakPolarHBondContact CB-O 3.45Å; I135-C167 VanDerWaalsContact C-SG 3.56Å; I135-Y237 WeakPolarHBondContact CD1-OH 3.49Å; I135-R445 PolarHBondContact O-NH2 2.77Å
136	Y	97.7	Very high	93.8	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.061	C	C	.	.	S	Bend	trans	-60.9	-42.5	-177.9	-75.9	-68.5	0	0	0	112.4	W153 R164 H165 S166 D168 D171 V173 Y176 Q189 I191 R445	Y136-W153 HydrophobicContact CD1-CH2 4.04Å; Y136-W153 AromaticContact CD2-CH2 3.37Å; Y136-W153 HydrophobicContact CD2-CH2 3.37Å; Y136-W153 HydrophobicContact CD2-CZ2 4.41Å; Y136-W153 AromaticContact CD2-CZ3 3.73Å; Y136-W153 HydrophobicContact CD2-CZ3 3.73Å; Y136-W153 HydrophobicContact CE1-CH2 4.5Å; Y136-W153 AromaticContact CE2-CH2 3.91Å; Y136-W153 HydrophobicContact CE2-CH2 3.91Å; Y136-W153 AromaticContact CG-CH2 3.47Å; Y136-W153 HydrophobicContact CG-CH2 3.47Å; Y136-W153 VanDerWaalsContact CG-CH2 3.47Å; Y136-W153 AromaticContact CG-CZ3 3.83Å; Y136-W153 HydrophobicContact CG-CZ3 3.83Å; Y136-R164 HydrophobicContact CD2-CB 4.35Å; Y136-R164 HydrophobicContact CE2-CB 4.16Å; Y136-H165 VanDerWaalsContact CD2-O 3.28Å; Y136-H165 WeakPolarHBondContact CD2-O 3.4Å; Y136-H165 PolarHBondContact N-O 3.44Å; Y136-S166 WeakPolarHBondContact CE2-O 3.29Å; Y136-D168 PolarHBondContact OH-N 3.42Å; Y136-D168 PolarHBondContact OH-O 3.34Å; Y136-D171 VanDerWaalsContact CE2-OD2 3.29Å; Y136-D171 WeakPolarHBondContact CE2-OD2 3.47Å; Y136-D171 PolarHBondContact OH-OD1 3.08Å; Y136-D171 PolarHBondContact OH-OD2 3.23Å; Y136-V173 HydrophobicContact CE1-CB 4.33Å; Y136-V173 HydrophobicContact CE1-CG1 3.98Å; Y136-V173 HydrophobicContact CE1-CG2 4.25Å; Y136-V173 HydrophobicContact CE2-CG2 4.33Å; Y136-Y176 HydrophobicContact CD1-CD1 4.31Å; Y136-Y176 HydrophobicContact CD1-CD2 4.15Å; Y136-Y176 HydrophobicContact CD1-CG 4.02Å; Y136-Y176 AromaticContact CE1-CD1 3.64Å; Y136-Y176 HydrophobicContact CE1-CD1 3.64Å; Y136-Y176 HydrophobicContact CE1-CD2 4.23Å; Y136-Y176 AromaticContact CE1-CE1 3.87Å; Y136-Y176 HydrophobicContact CE1-CE1 3.87Å; Y136-Y176 HydrophobicContact CE1-CE2 4.42Å; Y136-Y176 AromaticContact CE1-CG 3.83Å; Y136-Y176 HydrophobicContact CE1-CG 3.83Å; Y136-Q189 PolarHBondContact O-NE2 3.48Å; Y136-Q189 PolarHBondContact O-OE1 2.91Å; Y136-I191 HydrophobicContact CD1-CD1 4.35Å; Y136-I191 HydrophobicContact CG-CD1 4.45Å; Y136-R445 VanDerWaalsContact C-NH2 3.32Å; Y136-R445 PolarHBondContact O-NH2 2.89Å
137	F	98.6	Very high	94	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.013	6%	0.06	C	C	.	.	S	Bend	trans	-152.9	132.1	168.7	-171.7	-83.3	0	0	0	110.5	I135 M139 F149 G150 V151 W178 I200 F202 V216	I135-F137 VanDerWaalsContact C-N 3.34Å; I135-F137 WeakPolarHBondContact CD1-O 3.15Å; I135-F137 PolarHBondContact O-N 2.86Å; F137-M139 HydrophobicContact CE1-CG 3.92Å; F137-M139 HydrophobicContact CE1-SD 4.24Å; F137-M139 HydrophobicContact CZ-CG 4.08Å; F137-M139 HydrophobicContact CZ-SD 4.13Å; F137-F149 HydrophobicContact CD1-CD1 4.4Å; F137-F149 AromaticContact CD1-CE1 3.95Å; F137-F149 HydrophobicContact CD1-CE1 3.95Å; F137-F149 HydrophobicContact CE1-CD1 4.06Å; F137-F149 AromaticContact CE1-CE1 3.67Å; F137-F149 HydrophobicContact CE1-CE1 3.67Å; F137-G150 WeakPolarHBondContact O-CA 3.41Å; F137-V151 HydrophobicContact CB-CB 4.31Å; F137-V151 HydrophobicContact CB-CG2 4.27Å; F137-V151 HydrophobicContact CD1-CG2 3.75Å; F137-V151 HydrophobicContact CG-CG2 4.37Å; F137-V151 PolarHBondContact O-N 2.57Å; F137-W178 AromaticContact CD2-CH2 3.77Å; F137-W178 HydrophobicContact CD2-CH2 3.77Å; F137-W178 HydrophobicContact CD2-CZ2 4.31Å; F137-W178 AromaticContact CE2-CH2 3.57Å; F137-W178 HydrophobicContact CE2-CH2 3.57Å; F137-W178 HydrophobicContact CE2-CZ2 4.47Å; F137-W178 HydrophobicContact CE2-CZ3 4.28Å; F137-I200 HydrophobicContact CB-CD1 3.73Å; F137-I200 HydrophobicContact CB-CG2 4.31Å; F137-I200 HydrophobicContact CD1-CG2 3.99Å; F137-I200 HydrophobicContact CD2-CB 4.09Å; F137-I200 HydrophobicContact CD2-CG2 3.42Å; F137-I200 VanDerWaalsContact CD2-CG2 3.42Å; F137-I200 HydrophobicContact CE1-CG2 4.18Å; F137-I200 HydrophobicContact CE2-CB 4.5Å; F137-I200 HydrophobicContact CE2-CG2 3.58Å; F137-I200 HydrophobicContact CG-CB 4.45Å; F137-I200 HydrophobicContact CG-CD1 4.23Å; F137-I200 HydrophobicContact CG-CG2 3.64Å; F137-I200 HydrophobicContact CZ-CG2 3.99Å; F137-F202 AromaticContact CE2-CD1 3.96Å; F137-F202 HydrophobicContact CE2-CD1 3.96Å; F137-F202 HydrophobicContact CZ-CB 4.04Å; F137-F202 HydrophobicContact CZ-CD1 4.04Å; F137-F202 HydrophobicContact CZ-CG 4.35Å; F137-V216 HydrophobicContact CD1-CG1 4.49Å; F137-V216 HydrophobicContact CE1-CB 4.44Å; F137-V216 HydrophobicContact CE1-CG1 3.83Å; F137-V216 HydrophobicContact CE1-CG2 3.68Å; F137-V216 HydrophobicContact CZ-CG1 4.07Å; F137-V216 HydrophobicContact CZ-CG2 3.78Å
138	G	97.9	Very high	94.3	Very high	3 Å²	3	10 Å²	10	3%	0.031	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	157.7	165.4	0	0	0	0	0	111.7	S130 F149	S130-G138 CarbonylContact C-O 3.6Å; S130-G138 VanDerWaalsContact CA-O 3.26Å; S130-G138 WeakPolarHBondContact CA-O 3.34Å; G138-F149 CarbonylContact C-O 3.52Å; G138-F149 WeakPolarHBondContact CA-O 3.33Å
139	M	97.5	Very high	94.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152	-179.2	-63.3	-178.9	70.1	0	0	109.7	W128 G129 F137 F149 F202 W214 V216	W128-M139 HydrophobicContact CE3-CB 4.18Å; W128-M139 HydrophobicContact CZ3-CB 4.34Å; G129-M139 WeakPolarHBondContact O-CA 3.38Å; G129-M139 WeakPolarHBondContact O-CB 3.45Å; F137-M139 HydrophobicContact CE1-CG 3.92Å; F137-M139 HydrophobicContact CE1-SD 4.24Å; F137-M139 HydrophobicContact CZ-CG 4.08Å; F137-M139 HydrophobicContact CZ-SD 4.13Å; M139-F149 HydrophobicContact CB-CB 4.24Å; M139-F149 HydrophobicContact CB-CD1 4.21Å; M139-F149 HydrophobicContact CG-CD1 4.29Å; M139-F149 PolarHBondContact N-O 3.25Å; M139-F149 PolarHBondContact O-N 2.95Å; M139-F202 HydrophobicContact CE-CD2 4.11Å; M139-F202 HydrophobicContact SD-CB 4.25Å; M139-F202 HydrophobicContact SD-CG 4.39Å; M139-W214 HydrophobicContact CE-CB 3.99Å; M139-W214 HydrophobicContact CE-CD2 4.02Å; M139-W214 HydrophobicContact CE-CG 3.74Å; M139-W214 HydrophobicContact SD-CD2 3.92Å; M139-W214 HydrophobicContact SD-CE3 3.98Å; M139-W214 HydrophobicContact SD-CG 4.27Å; M139-W214 HydrophobicContact SD-CZ3 4.46Å; M139-V216 HydrophobicContact SD-CG2 3.63Å
140	K	94.8	Very high	94.8	Very high	23 Å²	23	9.8 Å²	9.8	10%	0.1	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.2	170.1	63.5	178.6	-62.7	-173.6	0	109.8	W128 G129 Y131 R132 S146 L147 L148 F414	W128-K140 VanDerWaalsContact CZ3-C 3.49Å; W128-K140 VanDerWaalsContact CZ3-CA 3.42Å; G129-K140 PolarHBondContact N-O 3Å; G129-K140 PolarHBondContact O-N 2.97Å; Y131-K140 WeakPolarHBondContact CD2-O 3.21Å; R132-K140 HydrophobicContact CG-CB 4.38Å; R132-K140 HydrophobicContact CG-CD 3.7Å; R132-K140 HydrophobicContact CG-CG 3.92Å; K140-S146 WeakPolarHBondContact CE-OG 3.31Å; K140-S146 PolarHBondContact NZ-OG 3.23Å; K140-L147 WeakPolarHBondContact CA-O 3.45Å; K140-L148 HydrophobicContact CB-CD2 3.6Å; K140-L148 HydrophobicContact CD-CD2 3.95Å; K140-L148 HydrophobicContact CG-CD2 4.37Å; K140-F414 PolarHBondContact NZ-O 3.34Å
141	H	91.5	Very high	94.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	154.2	168	65.4	-82.9	0	0	0	112.1	F127 W128 S143 S146 L147 E267	F127-H141 HydrophobicContact CD1-CB 4.12Å; F127-H141 HydrophobicContact CD2-CB 4.33Å; F127-H141 HydrophobicContact CE1-CB 3.72Å; F127-H141 HydrophobicContact CE2-CB 3.95Å; F127-H141 AromaticContact CE2-CD2 3.75Å; F127-H141 HydrophobicContact CG-CB 4.41Å; F127-H141 HydrophobicContact CZ-CB 3.63Å; F127-H141 AromaticContact CZ-CD2 3.41Å; F127-H141 VanDerWaalsContact CZ-CD2 3.41Å; F127-H141 WeakPolarHBondContact CZ-CD2 3.29Å; F127-H141 AromaticContact CZ-CG 3.75Å; F127-H141 CarbonylContact O-C 3.57Å; F127-H141 WeakPolarHBondContact O-CA 3.45Å; W128-H141 HydrophobicContact CD2-CB 3.85Å; W128-H141 HydrophobicContact CE3-CB 4.29Å; W128-H141 HydrophobicContact CG-CB 4.23Å; W128-H141 HydrophobicContact CH2-CB 4.43Å; W128-H141 AromaticContact CH2-ND1 3.8Å; W128-H141 HydrophobicContact CZ2-CB 4.02Å; W128-H141 AromaticContact CZ2-ND1 3.65Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 WeakPolarHBondContact CD2-CB 3.39Å; H141-S143 WeakPolarHBondContact NE2-CB 3.37Å; H141-S143 PolarHBondContact O-N 2.8Å; H141-S146 VanDerWaalsContact O-CB 3.22Å; H141-S146 WeakPolarHBondContact O-CB 3.22Å; H141-S146 PolarHBondContact O-OG 2.92Å; H141-L147 PolarHBondContact CE1-N 2.98Å; H141-L147 PolarHBondContact ND1-N 3.46Å; H141-L147 VanDerWaalsContact ND1-N 3.16Å; H141-E267 IonicContact CD2-OE2 3.91Å; H141-E267 IonicContact CE1-OE2 3.96Å; H141-E267 IonicContact NE2-OE2 3.61Å; H141-E267 PolarHBondContact NE2-OE2 3.46Å
142	R	90.4	Very high	94.9	Very high	10 Å²	10	9.2 Å²	9.2	4%	0.038	5%	0.053	C	C	.	.	S	Bend	trans	-75.9	83.6	178.3	-66.5	174.1	62.8	-177.8	-1.3	110.4	L119 L126 F127 Y131 F414 E473	L119-R142 HydrophobicContact CD2-CB 3.97Å; L126-R142 WeakPolarHBondContact O-CD 3.34Å; L126-R142 WeakPolarHBondContact O-CG 3.21Å; F127-R142 PolarHBondContact O-N 2.94Å; Y131-R142 HydrophobicContact CD2-CG 3.98Å; Y131-R142 HydrophobicContact CE2-CG 3.72Å; R142-F414 HydrophobicContact CB-CD2 3.82Å; R142-F414 HydrophobicContact CB-CE2 3.84Å; R142-F414 HydrophobicContact CB-CG 4.18Å; R142-F414 HydrophobicContact CB-CZ 4.26Å; R142-F414 HydrophobicContact CG-CB 4.27Å; R142-F414 HydrophobicContact CG-CD2 3.69Å; R142-F414 HydrophobicContact CG-CE2 4.21Å; R142-F414 HydrophobicContact CG-CG 3.97Å; R142-E473 IonicContact CZ-OE2 2.65Å; R142-E473 IonicContact NH1-OE2 3.93Å; R142-E473 PolarHBondContact NH1-OE2 2.58Å; R142-E473 IonicContact NH2-OE2 3.65Å; R142-E473 PolarHBondContact NH2-OE2 3.33Å
143	S	88.9	Confident	94.9	Very high	5 Å²	5	9 Å²	9	4%	0.035	5%	0.052	C	C	.	.	S	Bend	trans	-147.6	149.1	178.7	167	0	0	0	0	112.1	H141 N145 S146 E267 F414	H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 WeakPolarHBondContact CD2-CB 3.39Å; H141-S143 WeakPolarHBondContact NE2-CB 3.37Å; H141-S143 PolarHBondContact O-N 2.8Å; S143-N145 PolarHBondContact O-N 3.49Å; S143-N145 PolarHBondContact OG-N 3.46Å; S143-S146 PolarHBondContact O-OG 2.84Å; S143-E267 WeakPolarHBondContact CB-OE2 3.37Å; S143-E267 PolarHBondContact OG-OE1 3.06Å; S143-E267 PolarHBondContact OG-OE2 2.83Å; S143-F414 VanDerWaalsContact N-CE1 3.32Å; S143-F414 VanDerWaalsContact O-CE1 3.27Å; S143-F414 WeakPolarHBondContact O-CE1 3.38Å
144	P	88.2	Confident	94.8	Very high	56 Å²	56	8.8 Å²	8.8	36%	0.364	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-43.8	164.6	-29.5	37.5	0	0	0	114.3	Y416	P144-Y416 HydrophobicContact CB-CD1 3.92Å; P144-Y416 HydrophobicContact CB-CD2 4.11Å; P144-Y416 HydrophobicContact CB-CE1 3.66Å; P144-Y416 HydrophobicContact CB-CE2 3.85Å; P144-Y416 HydrophobicContact CB-CG 4.15Å; P144-Y416 HydrophobicContact CG-CD2 4.06Å; P144-Y416 HydrophobicContact CG-CE1 4.42Å; P144-Y416 HydrophobicContact CG-CE2 3.69Å
145	N	87.8	Confident	94.7	Very high	63 Å²	63	8.6 Å²	8.6	34%	0.337	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	67.5	-179.4	-62.9	-42.1	0	0	0	110.4	S143 Y240 E267	S143-N145 PolarHBondContact O-N 3.49Å; S143-N145 PolarHBondContact OG-N 3.46Å; N145-Y240 HydrophobicContact CB-CE2 4.24Å; N145-Y240 WeakPolarHBondContact O-CE2 3.44Å; N145-E267 VanDerWaalsContact O-OE2 3.14Å
146	S	91.1	Very high	94.5	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.021	5%	0.049	C	C	.	.	P	Polyproline II helix	trans	-73.2	142.4	-175.3	-27	0	0	0	0	112.8	K140 H141 S143 L148 P241	K140-S146 WeakPolarHBondContact CE-OG 3.31Å; K140-S146 PolarHBondContact NZ-OG 3.23Å; H141-S146 VanDerWaalsContact O-CB 3.22Å; H141-S146 WeakPolarHBondContact O-CB 3.22Å; H141-S146 PolarHBondContact O-OG 2.92Å; S143-S146 PolarHBondContact O-OG 2.84Å; S146-L148 PolarHBondContact O-N 2.79Å; S146-P241 WeakPolarHBondContact O-CD 3.3Å
147	L	93.7	Very high	93.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-74.8	122.2	163.8	179.1	66.1	0	0	0	107.4	W128 K140 H141 F238 Y240 F247 L268 F271 F352	W128-L147 HydrophobicContact CH2-CB 4.03Å; W128-L147 HydrophobicContact CH2-CD2 4.29Å; W128-L147 HydrophobicContact CH2-CG 4.33Å; W128-L147 WeakPolarHBondContact CH2-O 3.27Å; K140-L147 WeakPolarHBondContact CA-O 3.45Å; H141-L147 PolarHBondContact CE1-N 2.98Å; H141-L147 PolarHBondContact ND1-N 3.46Å; H141-L147 VanDerWaalsContact ND1-N 3.16Å; L147-F238 HydrophobicContact CD1-CB 4.48Å; L147-F238 HydrophobicContact CD2-CD1 4.36Å; L147-Y240 HydrophobicContact CB-CD2 4.44Å; L147-F247 HydrophobicContact CD1-CE2 4.25Å; L147-F247 HydrophobicContact CD1-CZ 4.35Å; L147-L268 HydrophobicContact CB-CD1 3.87Å; L147-L268 HydrophobicContact CD2-CD1 3.91Å; L147-F271 HydrophobicContact CD2-CE1 4.49Å; L147-F271 HydrophobicContact CD2-CE2 4.03Å; L147-F271 HydrophobicContact CD2-CZ 3.98Å; L147-F352 HydrophobicContact CD2-CD2 4.49Å; L147-F352 HydrophobicContact CD2-CE2 3.73Å; L147-F352 HydrophobicContact CD2-CZ 4.5Å
148	L	96.2	Very high	93	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.6	-174.9	-54.9	-177.6	0	0	0	109.7	K140 S146 F238 Y239 E294	K140-L148 HydrophobicContact CB-CD2 3.6Å; K140-L148 HydrophobicContact CD-CD2 3.95Å; K140-L148 HydrophobicContact CG-CD2 4.37Å; S146-L148 PolarHBondContact O-N 2.79Å; L148-F238 CarbonylContact O-C 3.6Å; L148-F238 VanDerWaalsContact O-CA 3.28Å; L148-F238 WeakPolarHBondContact O-CA 3.29Å; L148-Y239 HydrophobicContact CB-CD1 4.41Å; L148-Y239 WeakPolarHBondContact CB-O 3.35Å; L148-Y239 HydrophobicContact CD1-CD1 3.62Å; L148-Y239 HydrophobicContact CD1-CE1 3.9Å; L148-Y239 HydrophobicContact CG-CD1 4.38Å; L148-Y239 PolarHBondContact N-O 3.27Å; L148-Y239 PolarHBondContact O-N 3.07Å; L148-E294 HydrophobicContact CD1-CG 4Å
149	F	97.8	Very high	92.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.2	166.1	175	-107.7	0	0	0	109.9	R132 F137 G138 M139 V151 W214 V216 V236 Y237 F238 V350	R132-F149 PolarHBondContact NH1-O 3.39Å; F137-F149 HydrophobicContact CD1-CD1 4.4Å; F137-F149 AromaticContact CD1-CE1 3.95Å; F137-F149 HydrophobicContact CD1-CE1 3.95Å; F137-F149 HydrophobicContact CE1-CD1 4.06Å; F137-F149 AromaticContact CE1-CE1 3.67Å; F137-F149 HydrophobicContact CE1-CE1 3.67Å; G138-F149 CarbonylContact C-O 3.52Å; G138-F149 WeakPolarHBondContact CA-O 3.33Å; M139-F149 HydrophobicContact CB-CB 4.24Å; M139-F149 HydrophobicContact CB-CD1 4.21Å; M139-F149 HydrophobicContact CG-CD1 4.29Å; M139-F149 PolarHBondContact N-O 3.25Å; M139-F149 PolarHBondContact O-N 2.95Å; F149-V151 HydrophobicContact CE1-CG2 3.96Å; F149-V151 HydrophobicContact CZ-CG2 4Å; F149-W214 HydrophobicContact CB-CH2 4.02Å; F149-W214 HydrophobicContact CB-CZ2 4.11Å; F149-W214 AromaticContact CD1-CH2 3.92Å; F149-W214 HydrophobicContact CD1-CH2 3.92Å; F149-W214 HydrophobicContact CD1-CZ3 4.31Å; F149-W214 AromaticContact CD2-CH2 3.76Å; F149-W214 HydrophobicContact CD2-CH2 3.76Å; F149-W214 HydrophobicContact CE1-CH2 4.33Å; F149-W214 HydrophobicContact CE1-CZ3 4.35Å; F149-W214 HydrophobicContact CE2-CH2 4.14Å; F149-W214 AromaticContact CG-CH2 3.62Å; F149-W214 HydrophobicContact CG-CH2 3.62Å; F149-W214 HydrophobicContact CG-CZ2 4.22Å; F149-W214 HydrophobicContact CG-CZ3 4.41Å; F149-W214 HydrophobicContact CZ-CH2 4.42Å; F149-W214 HydrophobicContact CZ-CZ3 4.45Å; F149-V216 HydrophobicContact CD1-CG2 4.46Å; F149-V216 HydrophobicContact CE1-CB 4.19Å; F149-V216 HydrophobicContact CE1-CG1 4.15Å; F149-V216 HydrophobicContact CE1-CG2 3.83Å; F149-V216 HydrophobicContact CZ-CB 4.35Å; F149-V216 HydrophobicContact CZ-CG1 4.36Å; F149-V216 HydrophobicContact CZ-CG2 4.42Å; F149-V236 HydrophobicContact CE2-CB 3.8Å; F149-V236 HydrophobicContact CE2-CG1 4.16Å; F149-V236 HydrophobicContact CZ-CB 4.21Å; F149-V236 HydrophobicContact CZ-CG1 4.06Å; F149-Y237 WeakPolarHBondContact CA-O 3.31Å; F149-F238 HydrophobicContact CB-CE1 4.29Å; F149-F238 HydrophobicContact CD2-CD1 4.26Å; F149-F238 HydrophobicContact CD2-CD2 4.43Å; F149-F238 AromaticContact CD2-CE1 3.68Å; F149-F238 HydrophobicContact CD2-CE1 3.68Å; F149-F238 AromaticContact CD2-CE2 3.83Å; F149-F238 HydrophobicContact CD2-CE2 3.83Å; F149-F238 AromaticContact CD2-CZ 3.44Å; F149-F238 HydrophobicContact CD2-CZ 3.44Å; F149-F238 VanDerWaalsContact CD2-CZ 3.44Å; F149-F238 HydrophobicContact CE2-CE1 4.47Å; F149-F238 HydrophobicContact CE2-CE2 4.02Å; F149-F238 AromaticContact CE2-CZ 3.81Å; F149-F238 HydrophobicContact CE2-CZ 3.81Å; F149-F238 HydrophobicContact CG-CE1 4.38Å; F149-F238 HydrophobicContact CG-CZ 4.48Å; F149-V350 HydrophobicContact CE2-CG1 4.08Å; F149-V350 HydrophobicContact CZ-CB 4.49Å; F149-V350 HydrophobicContact CZ-CG2 4.45Å
150	G	98.5	Very high	91.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	162.5	166.7	0	0	0	0	0	114.5	F137 V236 Y237	F137-G150 WeakPolarHBondContact O-CA 3.41Å; G150-V236 WeakPolarHBondContact O-CA 3.23Å; G150-Y237 VanDerWaalsContact CA-CE1 3.41Å; G150-Y237 PolarHBondContact N-O 3.45Å; G150-Y237 VanDerWaalsContact N-O 3.07Å; G150-Y237 WeakPolarHBondContact O-CD1 3.44Å; G150-Y237 WeakPolarHBondContact O-CE1 3.44Å; G150-Y237 PolarHBondContact O-N 2.95Å
151	V	98.6	Very high	90.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.7	-178.8	-177.3	0	0	0	0	109.4	F137 F149 I200 V234 I235 V236	F137-V151 HydrophobicContact CB-CB 4.31Å; F137-V151 HydrophobicContact CB-CG2 4.27Å; F137-V151 HydrophobicContact CD1-CG2 3.75Å; F137-V151 HydrophobicContact CG-CG2 4.37Å; F137-V151 PolarHBondContact O-N 2.57Å; F149-V151 HydrophobicContact CE1-CG2 3.96Å; F149-V151 HydrophobicContact CZ-CG2 4Å; V151-I200 HydrophobicContact CB-CD1 4.43Å; V151-I200 HydrophobicContact CG1-CD1 4.17Å; V151-V234 HydrophobicContact CG1-CG1 4.26Å; V151-I235 CarbonylContact C-O 3.58Å; V151-V236 HydrophobicContact CG2-CG1 4.27Å
152	M	98.2	Very high	90.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.5	165.5	-48.7	-171.7	-172.1	0	0	108.7	R164 H165 I235 Y237 I297 K298 M301 F333	M152-R164 WeakPolarHBondContact CA-O 3.07Å; M152-R164 WeakPolarHBondContact CB-O 3.42Å; M152-H165 HydrophobicContact CB-CB 4.44Å; M152-H165 HydrophobicContact CE-CB 4.43Å; M152-H165 HydrophobicContact CG-CB 3.81Å; M152-H165 HydrophobicContact SD-CB 4.08Å; M152-I235 HydrophobicContact CB-CB 4.2Å; M152-I235 PolarHBondContact N-O 3.21Å; M152-I235 PolarHBondContact O-N 2.99Å; M152-I235 VanDerWaalsContact O-O 3.05Å; M152-Y237 HydrophobicContact CE-CD1 3.78Å; M152-Y237 HydrophobicContact CE-CE1 3.69Å; M152-Y237 HydrophobicContact CG-CD1 4.29Å; M152-Y237 HydrophobicContact CG-CE1 4.2Å; M152-I297 HydrophobicContact CE-CG2 3.7Å; M152-K298 HydrophobicContact CE-CB 4.47Å; M152-M301 HydrophobicContact SD-CE 4.41Å; M152-M301 HydrophobicContact SD-SD 3.61Å; M152-M301 VanDerWaalsContact SD-SD 3.61Å; M152-F333 HydrophobicContact CE-CE1 4.06Å
153	W	96.7	Very high	91	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	159	169.5	70	95.6	0	0	0	111.7	Y136 Y163 R164 V173 I191 D193 I198 L232 S233	Y136-W153 HydrophobicContact CD1-CH2 4.04Å; Y136-W153 AromaticContact CD2-CH2 3.37Å; Y136-W153 HydrophobicContact CD2-CH2 3.37Å; Y136-W153 HydrophobicContact CD2-CZ2 4.41Å; Y136-W153 AromaticContact CD2-CZ3 3.73Å; Y136-W153 HydrophobicContact CD2-CZ3 3.73Å; Y136-W153 HydrophobicContact CE1-CH2 4.5Å; Y136-W153 AromaticContact CE2-CH2 3.91Å; Y136-W153 HydrophobicContact CE2-CH2 3.91Å; Y136-W153 AromaticContact CG-CH2 3.47Å; Y136-W153 HydrophobicContact CG-CH2 3.47Å; Y136-W153 VanDerWaalsContact CG-CH2 3.47Å; Y136-W153 AromaticContact CG-CZ3 3.83Å; Y136-W153 HydrophobicContact CG-CZ3 3.83Å; W153-Y163 WeakPolarHBondContact O-CA 3.16Å; W153-R164 HydrophobicContact CD2-CB 3.76Å; W153-R164 HydrophobicContact CE3-CB 3.99Å; W153-R164 HydrophobicContact CG-CB 4.48Å; W153-R164 HydrophobicContact CH2-CB 3.6Å; W153-R164 HydrophobicContact CH2-CG 4.34Å; W153-R164 HydrophobicContact CZ2-CB 3.33Å; W153-R164 HydrophobicContact CZ2-CG 3.68Å; W153-R164 HydrophobicContact CZ3-CB 3.92Å; W153-R164 PolarHBondContact N-O 3.29Å; W153-R164 PolarHBondContact O-N 2.65Å; W153-V173 HydrophobicContact CH2-CG2 4.48Å; W153-V173 HydrophobicContact CZ2-CG2 3.87Å; W153-I191 HydrophobicContact CH2-CD1 3.88Å; W153-I191 HydrophobicContact CH2-CG2 3.94Å; W153-I191 HydrophobicContact CZ2-CG2 3.86Å; W153-I191 HydrophobicContact CZ3-CD1 4.11Å; W153-D193 PolarHBondContact NE1-OD2 3.14Å; W153-I198 HydrophobicContact CD2-CD1 3.79Å; W153-I198 HydrophobicContact CG-CD1 3.72Å; W153-I198 HydrophobicContact CZ2-CD1 4.34Å; W153-L232 HydrophobicContact CB-CD1 4.15Å; W153-L232 HydrophobicContact CG-CD1 4.28Å; W153-S233 CarbonylContact C-O 3.58Å; W153-S233 WeakPolarHBondContact CA-O 3.25Å; W153-S233 WeakPolarHBondContact CB-O 3.39Å
154	T	95.2	Very high	91.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.9	169.2	-166.4	0	0	0	0	110.2	A162 Y163 S233	T154-A162 WeakPolarHBondContact CB-O 3.48Å; T154-A162 PolarHBondContact OG1-O 3.07Å; T154-Y163 HydrophobicContact CG2-CD1 4.03Å; T154-Y163 HydrophobicContact CG2-CE1 3.52Å; T154-Y163 HydrophobicContact CG2-CE2 4.34Å; T154-S233 PolarHBondContact N-O 2.93Å; T154-S233 PolarHBondContact O-N 2.76Å
155	I	92.5	Very high	91.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.9	171.7	-59.1	171.1	0	0	0	105.6	D157 T194 H195 Y230 L232	I155-D157 HydrophobicContact CG2-CB 4.11Å; I155-D157 PolarHBondContact O-N 3.38Å; I155-T194 VanDerWaalsContact CD1-OG1 3.29Å; I155-T194 WeakPolarHBondContact CD1-OG1 3.19Å; I155-H195 HydrophobicContact CD1-CB 4Å; I155-Y230 VanDerWaalsContact CG2-CB 3.42Å; I155-Y230 HydrophobicContact CG2-CG 4.12Å; I155-L232 HydrophobicContact CG1-CD1 4.37Å
156	Q	91.6	Very high	92	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.033	14%	0.141	C	C	.	.			trans	-76.6	63	177.3	-65	-74.7	-12.4	0	0	109.4	P231 S233 F313 L314	Q156-P231 HydrophobicContact CB-CB 4.11Å; Q156-P231 HydrophobicContact CB-CG 4.47Å; Q156-P231 WeakPolarHBondContact CB-O 3.49Å; Q156-P231 HydrophobicContact CG-CB 4.39Å; Q156-P231 PolarHBondContact N-O 3.37Å; Q156-S233 WeakPolarHBondContact CG-OG 3.42Å; Q156-S233 PolarHBondContact NE2-OG 3.28Å; Q156-F313 HydrophobicContact CB-CD1 4.12Å; Q156-F313 HydrophobicContact CB-CE1 4.13Å; Q156-F313 HydrophobicContact CG-CD1 4.21Å; Q156-F313 HydrophobicContact CG-CD2 4.22Å; Q156-F313 HydrophobicContact CG-CE1 4.42Å; Q156-F313 HydrophobicContact CG-CE2 4.43Å; Q156-F313 HydrophobicContact CG-CG 4.14Å; Q156-L314 PolarHBondContact NE2-O 2.92Å
157	D	86.6	Confident	92.2	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.091	14%	0.143	C	C	.	.			trans	-100.7	110.1	173.6	179	-1.3	0	0	0	108.2	I155 E159 N160 F161 Y230	I155-D157 HydrophobicContact CG2-CB 4.11Å; I155-D157 PolarHBondContact O-N 3.38Å; D157-E159 PolarHBondContact O-N 3.13Å; D157-E159 VanDerWaalsContact O-N 3.07Å; D157-E159 PolarHBondContact OD1-N 2.58Å; D157-N160 CarbonylContact O-C 3.59Å; D157-N160 PolarHBondContact O-N 3.13Å; D157-N160 VanDerWaalsContact O-N 3.08Å; D157-F161 PolarHBondContact O-N 3.18Å; D157-Y230 HydrophobicContact CB-CD1 4.09Å; D157-Y230 HydrophobicContact CB-CE1 4.23Å; D157-Y230 HydrophobicContact CB-CG 4.34Å
158	P	79.8	Confident	92.1	Very high	86 Å²	86	30.1 Å²	30.1	56%	0.558	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25	179.1	-26.9	35.8	0	0	0	114.9
159	E	81.2	Confident	91.8	Very high	177 Å²	177	34.7 Å²	34.7	83%	0.827	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-23.4	-178.9	-61.1	-169.7	169.2	0	0	112.9	D157	D157-E159 PolarHBondContact O-N 3.13Å; D157-E159 VanDerWaalsContact O-N 3.07Å; D157-E159 PolarHBondContact OD1-N 2.58Å
160	N	81.4	Confident	91.4	Very high	98 Å²	98	42.1 Å²	42.1	52%	0.524	22%	0.215	S	C	.	.			trans	-150.4	70.7	-172.3	-167.8	12.9	0	0	0	113.4	D157 A162	D157-N160 CarbonylContact O-C 3.59Å; D157-N160 PolarHBondContact O-N 3.13Å; D157-N160 VanDerWaalsContact O-N 3.08Å; N160-A162 PolarHBondContact O-N 3.28Å; N160-A162 VanDerWaalsContact O-N 3.12Å
161	F	81.5	Confident	91	Very high	67 Å²	67	43.2 Å²	43.2	29%	0.294	22%	0.221	S	C	.	.			trans	-71.9	104.6	170.3	-66.8	-72.9	0	0	0	111.3	D157 L314	D157-F161 PolarHBondContact O-N 3.18Å; F161-L314 HydrophobicContact CB-CD1 3.65Å; F161-L314 HydrophobicContact CD1-CB 4.38Å; F161-L314 HydrophobicContact CD1-CD1 3.53Å; F161-L314 HydrophobicContact CD1-CG 4.07Å; F161-L314 HydrophobicContact CD2-CD1 3.61Å; F161-L314 HydrophobicContact CD2-CG 4.25Å; F161-L314 HydrophobicContact CE1-CB 4.25Å; F161-L314 HydrophobicContact CE1-CD1 3.98Å; F161-L314 HydrophobicContact CE1-CG 3.99Å; F161-L314 HydrophobicContact CE2-CD1 4.04Å; F161-L314 HydrophobicContact CE2-CG 4.17Å; F161-L314 HydrophobicContact CG-CD1 3.31Å; F161-L314 HydrophobicContact CG-CG 4.18Å; F161-L314 HydrophobicContact CZ-CD1 4.22Å; F161-L314 HydrophobicContact CZ-CG 4.05Å
162	A	90.3	Very high	90.5	Very high	25 Å²	25	44.6 Å²	44.6	21%	0.207	24%	0.235	C	C	.	.			trans	-123.3	127.8	171.2	0	0	0	0	0	110.9	T154 N160 R164	T154-A162 WeakPolarHBondContact CB-O 3.48Å; T154-A162 PolarHBondContact OG1-O 3.07Å; N160-A162 PolarHBondContact O-N 3.28Å; N160-A162 VanDerWaalsContact O-N 3.12Å; A162-R164 VanDerWaalsContact CB-CZ 3.5Å; A162-R164 VanDerWaalsContact CB-NH1 3.28Å; A162-R164 PolarHBondContact O-NH1 2.8Å
163	Y	94.2	Very high	90.3	Very high	17 Å²	17	45.5 Å²	45.5	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.5	177.3	-73.4	-97.6	0	0	0	110.2	W153 T154 I235 K298 M301 F302 L305 L314	W153-Y163 WeakPolarHBondContact O-CA 3.16Å; T154-Y163 HydrophobicContact CG2-CD1 4.03Å; T154-Y163 HydrophobicContact CG2-CE1 3.52Å; T154-Y163 HydrophobicContact CG2-CE2 4.34Å; Y163-I235 HydrophobicContact CD1-CD1 4.08Å; Y163-I235 HydrophobicContact CE1-CD1 3.6Å; Y163-K298 WeakPolarHBondContact O-CE 3.21Å; Y163-K298 PolarHBondContact O-NZ 3.39Å; Y163-M301 HydrophobicContact CD1-CE 3.87Å; Y163-M301 HydrophobicContact CE1-CE 4.03Å; Y163-M301 HydrophobicContact CG-CE 4.3Å; Y163-F302 HydrophobicContact CD1-CE1 4.41Å; Y163-F302 AromaticContact CD2-CE1 3.6Å; Y163-F302 HydrophobicContact CD2-CE1 3.6Å; Y163-F302 HydrophobicContact CD2-CZ 4.25Å; Y163-F302 HydrophobicContact CE2-CE1 4.22Å; Y163-F302 AromaticContact CG-CE1 3.71Å; Y163-F302 HydrophobicContact CG-CE1 3.71Å; Y163-F302 HydrophobicContact CG-CZ 4.33Å; Y163-L305 HydrophobicContact CE1-CD2 4.4Å; Y163-L305 HydrophobicContact CE2-CD1 3.73Å; Y163-L305 VanDerWaalsContact OH-CD2 3.28Å; Y163-L305 WeakPolarHBondContact OH-CD2 2.99Å; Y163-L314 HydrophobicContact CE2-CD1 4.34Å; Y163-L314 WeakPolarHBondContact OH-CB 3.19Å
164	R	96.4	Very high	90.2	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.038	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.3	176.4	-73.4	81.9	-171.2	-179.2	-6.8	109.7	Y136 M152 W153 A162 D171 V173 D193	Y136-R164 HydrophobicContact CD2-CB 4.35Å; Y136-R164 HydrophobicContact CE2-CB 4.16Å; M152-R164 WeakPolarHBondContact CA-O 3.07Å; M152-R164 WeakPolarHBondContact CB-O 3.42Å; W153-R164 HydrophobicContact CD2-CB 3.76Å; W153-R164 HydrophobicContact CE3-CB 3.99Å; W153-R164 HydrophobicContact CG-CB 4.48Å; W153-R164 HydrophobicContact CH2-CB 3.6Å; W153-R164 HydrophobicContact CH2-CG 4.34Å; W153-R164 HydrophobicContact CZ2-CB 3.33Å; W153-R164 HydrophobicContact CZ2-CG 3.68Å; W153-R164 HydrophobicContact CZ3-CB 3.92Å; W153-R164 PolarHBondContact N-O 3.29Å; W153-R164 PolarHBondContact O-N 2.65Å; A162-R164 VanDerWaalsContact CB-CZ 3.5Å; A162-R164 VanDerWaalsContact CB-NH1 3.28Å; A162-R164 PolarHBondContact O-NH1 2.8Å; R164-D171 HydrophobicContact CG-CB 4.29Å; R164-D171 VanDerWaalsContact CG-OD2 3.29Å; R164-D171 WeakPolarHBondContact CG-OD2 3.5Å; R164-D171 VanDerWaalsContact CZ-O 3.24Å; R164-D171 PolarHBondContact NE-O 2.82Å; R164-D171 PolarHBondContact NH2-O 3.35Å; R164-V173 HydrophobicContact CG-CG2 3.91Å; R164-D193 IonicContact NE-OD2 3.53Å; R164-D193 IonicContact NH2-OD1 2.78Å
165	H	96.2	Very high	90.1	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.037	27%	0.27	C	S	.	.			trans	-157.5	-76.2	-176.7	171.9	-122.5	0	0	0	111.7	I135 Y136 M152 Y237 K298	I135-H165 WeakPolarHBondContact CA-O 3.38Å; I135-H165 WeakPolarHBondContact CB-O 3.45Å; Y136-H165 VanDerWaalsContact CD2-O 3.28Å; Y136-H165 WeakPolarHBondContact CD2-O 3.4Å; Y136-H165 PolarHBondContact N-O 3.44Å; M152-H165 HydrophobicContact CB-CB 4.44Å; M152-H165 HydrophobicContact CE-CB 4.43Å; M152-H165 HydrophobicContact CG-CB 3.81Å; M152-H165 HydrophobicContact SD-CB 4.08Å; H165-Y237 AromaticContact CD2-CE1 3.82Å; H165-Y237 AromaticContact NE2-CE1 3.5Å; H165-Y237 WeakPolarHBondContact NE2-CE1 3.36Å; H165-Y237 AromaticContact NE2-CZ 3.5Å; H165-Y237 PolarHBondContact NE2-OH 3.44Å; H165-K298 HydrophobicContact CB-CD 4.26Å
166	S	95.2	Very high	90.3	Very high	30 Å²	30	51 Å²	51	21%	0.21	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-69	145.7	167.6	-65.6	0	0	0	0	110.2	Y136 D168 K501	Y136-S166 WeakPolarHBondContact CE2-O 3.29Å; S166-D168 PolarHBondContact O-N 2.91Å; S166-D168 VanDerWaalsContact O-N 3.17Å; S166-K501 PolarHBondContact OG-NZ 3.25Å
167	C	95.1	Very high	90.6	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.054	27%	0.274	C	S	.	.			trans	-58.2	119.3	168.9	-60.1	0	0	0	0	108.9	G134 I135 Y176 L446	G134-C167 PolarHBondContact O-N 3.02Å; G134-C167 VanDerWaalsContact O-N 3.11Å; I135-C167 VanDerWaalsContact C-SG 3.56Å; C167-Y176 WeakPolarHBondContact CB-OH 3.31Å; C167-L446 HydrophobicContact CB-CB 4.26Å; C167-L446 HydrophobicContact CB-CD1 4.11Å
168	D	91.8	Very high	91.1	Very high	71 Å²	71	50.9 Å²	50.9	38%	0.38	27%	0.27	S	S	.	.			trans	-137.6	135.2	-179.1	-167.4	-24.1	0	0	0	109.8	Y136 S166 F170 D171	Y136-D168 PolarHBondContact OH-N 3.42Å; Y136-D168 PolarHBondContact OH-O 3.34Å; S166-D168 PolarHBondContact O-N 2.91Å; S166-D168 VanDerWaalsContact O-N 3.17Å; D168-F170 PolarHBondContact O-N 2.85Å; D168-F170 PolarHBondContact OD1-N 2.87Å; D168-D171 HydrophobicContact CB-CB 4.06Å
169	Q	88.3	Confident	92	Very high	99 Å²	99	49.3 Å²	49.3	46%	0.463	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.6	-178.7	66.2	-177.7	-18	0	0	111.8	L446	Q169-L446 HydrophobicContact CB-CD1 4.19Å; Q169-L446 HydrophobicContact CB-CD2 4.3Å
170	F	90.3	Very high	92.8	Very high	157 Å²	157	42.3 Å²	42.3	69%	0.689	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	3	-174.4	-54.6	-62.2	0	0	0	113.9	D168 G172	D168-F170 PolarHBondContact O-N 2.85Å; D168-F170 PolarHBondContact OD1-N 2.87Å; F170-G172 VanDerWaalsContact C-N 3.32Å
171	D	90.4	Very high	93.6	Very high	23 Å²	23	37.8 Å²	37.8	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-87.7	1	-177.3	75.5	0.9	0	0	0	114.1	Y136 R164 D168 V173	Y136-D171 VanDerWaalsContact CE2-OD2 3.29Å; Y136-D171 WeakPolarHBondContact CE2-OD2 3.47Å; Y136-D171 PolarHBondContact OH-OD1 3.08Å; Y136-D171 PolarHBondContact OH-OD2 3.23Å; R164-D171 HydrophobicContact CG-CB 4.29Å; R164-D171 VanDerWaalsContact CG-OD2 3.29Å; R164-D171 WeakPolarHBondContact CG-OD2 3.5Å; R164-D171 VanDerWaalsContact CZ-O 3.24Å; R164-D171 PolarHBondContact NE-O 2.82Å; R164-D171 PolarHBondContact NH2-O 3.35Å; D168-D171 HydrophobicContact CB-CB 4.06Å; D171-V173 WeakPolarHBondContact OD1-CB 3.4Å; D171-V173 VanDerWaalsContact OD1-CG2 3.32Å; D171-V173 WeakPolarHBondContact OD1-CG2 3.44Å; D171-V173 PolarHBondContact OD1-N 3.42Å
172	G	88.2	Confident	94.3	Very high	30 Å²	30	35.2 Å²	35.2	31%	0.309	19%	0.189	S	C	.	.			trans	86.4	-0.2	176.8	0	0	0	0	0	115.4	F170 L174	F170-G172 VanDerWaalsContact C-N 3.32Å; G172-L174 PolarHBondContact O-N 3.13Å
173	V	93.9	Very high	94.6	Very high	20 Å²	20	34.3 Å²	34.3	12%	0.121	18%	0.182	C	C	.	.			trans	-65.1	122.6	169.5	175.4	0	0	0	0	109.1	Y136 W153 R164 D171 Y176 I191	Y136-V173 HydrophobicContact CE1-CB 4.33Å; Y136-V173 HydrophobicContact CE1-CG1 3.98Å; Y136-V173 HydrophobicContact CE1-CG2 4.25Å; Y136-V173 HydrophobicContact CE2-CG2 4.33Å; W153-V173 HydrophobicContact CH2-CG2 4.48Å; W153-V173 HydrophobicContact CZ2-CG2 3.87Å; R164-V173 HydrophobicContact CG-CG2 3.91Å; D171-V173 WeakPolarHBondContact OD1-CB 3.4Å; D171-V173 VanDerWaalsContact OD1-CG2 3.32Å; D171-V173 WeakPolarHBondContact OD1-CG2 3.44Å; D171-V173 PolarHBondContact OD1-N 3.42Å; V173-Y176 HydrophobicContact CG1-CD1 4.05Å; V173-I191 HydrophobicContact CG1-CG2 3.74Å; V173-I191 HydrophobicContact CG2-CG2 4.44Å
174	L	93.1	Very high	94.5	Very high	94 Å²	94	35 Å²	35	49%	0.492	18%	0.184	S	C	.	.			trans	-78.5	-45.3	-176.3	-62.3	-174.1	0	0	0	111.9	G172 V192 H844	G172-L174 PolarHBondContact O-N 3.13Å; L174-V192 HydrophobicContact CB-CB 4.47Å; L174-V192 HydrophobicContact CB-CG1 4.27Å; L174-V192 WeakPolarHBondContact CB-O 3.49Å; L174-V192 HydrophobicContact CD1-CG1 4.27Å; L174-V192 PolarHBondContact N-O 3.3Å; L174-H844 PolarHBondContact O-NE2 3.44Å
175	S	94.6	Very high	94.4	Very high	20 Å²	20	35.7 Å²	35.7	14%	0.14	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155	177.1	67.4	0	0	0	0	111.8	I191 V192	S175-I191 CarbonylContact O-C 3.48Å; S175-V192 PolarHBondContact N-O 3.33Å; S175-V192 PolarHBondContact O-N 3.16Å; S175-V192 WeakPolarHBondContact OG-CG2 3.37Å
176	Y	96.7	Very high	94.4	Very high	8 Å²	8	35.4 Å²	35.4	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	123.4	173.4	58.8	-81	0	0	0	109.6	Y136 C167 V173 Q190 R445 P861	Y136-Y176 HydrophobicContact CD1-CD1 4.31Å; Y136-Y176 HydrophobicContact CD1-CD2 4.15Å; Y136-Y176 HydrophobicContact CD1-CG 4.02Å; Y136-Y176 AromaticContact CE1-CD1 3.64Å; Y136-Y176 HydrophobicContact CE1-CD1 3.64Å; Y136-Y176 HydrophobicContact CE1-CD2 4.23Å; Y136-Y176 AromaticContact CE1-CE1 3.87Å; Y136-Y176 HydrophobicContact CE1-CE1 3.87Å; Y136-Y176 HydrophobicContact CE1-CE2 4.42Å; Y136-Y176 AromaticContact CE1-CG 3.83Å; Y136-Y176 HydrophobicContact CE1-CG 3.83Å; C167-Y176 WeakPolarHBondContact CB-OH 3.31Å; V173-Y176 HydrophobicContact CG1-CD1 4.05Å; Y176-Q190 CarbonylContact C-O 3.52Å; Y176-Q190 VanDerWaalsContact CA-O 3.27Å; Y176-Q190 WeakPolarHBondContact CA-O 3.29Å; Y176-R445 HydrophobicContact CE2-CB 4.44Å; Y176-P861 HydrophobicContact CE1-CG 4.11Å; Y176-P861 HydrophobicContact CE2-CG 3.64Å; Y176-P861 VanDerWaalsContact CZ-CD 3.47Å; Y176-P861 VanDerWaalsContact CZ-CG 3.42Å; Y176-P861 WeakPolarHBondContact OH-CD 3.34Å; Y176-P861 VanDerWaalsContact OH-CG 3.31Å; Y176-P861 WeakPolarHBondContact OH-CG 3.42Å
177	N	97	Very high	94.5	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.4	-175.5	-73.7	-76.1	0	0	0	110.9	L179 Q189 Q190 I403 N407 G843	N177-L179 HydrophobicContact CB-CD2 4.45Å; N177-L179 PolarHBondContact O-N 3.05Å; N177-Q189 WeakPolarHBondContact O-CA 3.16Å; N177-Q190 PolarHBondContact N-O 3.34Å; N177-Q190 PolarHBondContact O-N 3.47Å; N177-I403 HydrophobicContact CB-CG2 4.47Å; N177-N407 WeakPolarHBondContact CA-OD1 3.35Å; N177-N407 PolarHBondContact OD1-ND2 3.47Å; N177-G843 PolarHBondContact ND2-O 3.16Å
178	W	98.2	Very high	94.7	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	111.3	157.6	-67.1	104.1	0	0	0	108.4	F137 H181 Q189 F202 S406 N407 G410	F137-W178 AromaticContact CD2-CH2 3.77Å; F137-W178 HydrophobicContact CD2-CH2 3.77Å; F137-W178 HydrophobicContact CD2-CZ2 4.31Å; F137-W178 AromaticContact CE2-CH2 3.57Å; F137-W178 HydrophobicContact CE2-CH2 3.57Å; F137-W178 HydrophobicContact CE2-CZ2 4.47Å; F137-W178 HydrophobicContact CE2-CZ3 4.28Å; W178-H181 HydrophobicContact CB-CB 4.29Å; W178-H181 HydrophobicContact CD2-CB 4.48Å; W178-H181 AromaticContact CD2-CD2 3.67Å; W178-H181 AromaticContact CE2-CD2 3.95Å; W178-H181 HydrophobicContact CE3-CB 4.35Å; W178-H181 AromaticContact CE3-CD2 3.48Å; W178-H181 VanDerWaalsContact CE3-CD2 3.48Å; W178-H181 AromaticContact CH2-CD2 3.8Å; W178-H181 AromaticContact CZ3-CD2 3.56Å; W178-Q189 HydrophobicContact CD2-CB 3.91Å; W178-Q189 HydrophobicContact CD2-CG 4.44Å; W178-Q189 HydrophobicContact CE3-CB 3.56Å; W178-Q189 HydrophobicContact CH2-CB 4.34Å; W178-Q189 HydrophobicContact CZ3-CB 3.79Å; W178-F202 HydrophobicContact CH2-CD1 4.15Å; W178-F202 AromaticContact CH2-CE1 3.88Å; W178-F202 HydrophobicContact CH2-CE1 3.88Å; W178-F202 HydrophobicContact CZ3-CD1 4.16Å; W178-F202 AromaticContact CZ3-CE1 3.91Å; W178-F202 HydrophobicContact CZ3-CE1 3.91Å; W178-S406 WeakPolarHBondContact O-CB 3.17Å; W178-N407 PolarHBondContact N-OD1 3.36Å; W178-G410 PolarHBondContact NE1-O 3.41Å; W178-G410 VanDerWaalsContact NE1-O 3.15Å
179	L	97.1	Very high	95	Very high	53 Å²	53	31 Å²	31	28%	0.277	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-36.6	175.4	-57.7	-176.2	0	0	0	110.5	N177 T188 Q190 K402	N177-L179 HydrophobicContact CB-CD2 4.45Å; N177-L179 PolarHBondContact O-N 3.05Å; L179-T188 PolarHBondContact N-O 2.83Å; L179-Q190 HydrophobicContact CD1-CB 3.91Å; L179-Q190 HydrophobicContact CD2-CB 4.43Å; L179-Q190 HydrophobicContact CG-CB 4.13Å; L179-K402 WeakPolarHBondContact O-CE 3.4Å
180	E	98.3	Very high	95.4	Very high	29 Å²	29	29.6 Å²	29.6	14%	0.136	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.6	178.1	-64	168.8	-152.9	0	0	107.8	F186 G187 T188 S375 F378 H379 S406	E180-F186 HydrophobicContact CB-CE2 3.96Å; E180-F186 HydrophobicContact CB-CZ 4.11Å; E180-G187 CarbonylContact O-C 3.53Å; E180-G187 WeakPolarHBondContact O-CA 3.33Å; E180-T188 PolarHBondContact N-O 3.42Å; E180-T188 PolarHBondContact O-N 2.95Å; E180-S375 VanDerWaalsContact CD-OG 3.31Å; E180-S375 PolarHBondContact OE1-OG 3.32Å; E180-S375 VanDerWaalsContact OE2-CB 3.23Å; E180-S375 WeakPolarHBondContact OE2-CB 3.19Å; E180-S375 PolarHBondContact OE2-OG 3.24Å; E180-F378 HydrophobicContact CB-CD1 4.19Å; E180-F378 HydrophobicContact CB-CE1 4.11Å; E180-F378 HydrophobicContact CG-CD1 3.98Å; E180-F378 HydrophobicContact CG-CE1 3.88Å; E180-H379 VanDerWaalsContact CD-CE1 3.48Å; E180-H379 IonicContact OE1-CE1 3.7Å; E180-H379 PolarHBondContact OE1-CE1 3.29Å; E180-H379 IonicContact OE1-NE2 2.63Å; E180-H379 IonicContact OE2-CE1 3.18Å; E180-S406 WeakPolarHBondContact CA-OG 3.38Å
181	H	98.5	Very high	95.8	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	126.9	173.2	-163.7	-72	0	0	0	107.3	S130 W178 G183 F202 F378 S406 L409	S130-H181 PolarHBondContact OG-NE2 3.38Å; W178-H181 HydrophobicContact CB-CB 4.29Å; W178-H181 HydrophobicContact CD2-CB 4.48Å; W178-H181 AromaticContact CD2-CD2 3.67Å; W178-H181 AromaticContact CE2-CD2 3.95Å; W178-H181 HydrophobicContact CE3-CB 4.35Å; W178-H181 AromaticContact CE3-CD2 3.48Å; W178-H181 VanDerWaalsContact CE3-CD2 3.48Å; W178-H181 AromaticContact CH2-CD2 3.8Å; W178-H181 AromaticContact CZ3-CD2 3.56Å; H181-G183 WeakPolarHBondContact ND1-CA 3.4Å; H181-G183 PolarHBondContact ND1-N 2.85Å; H181-F202 AromaticContact CD2-CE1 3.81Å; H181-F202 AromaticContact NE2-CE1 3.5Å; H181-F202 WeakPolarHBondContact NE2-CE1 3.47Å; H181-F202 AromaticContact NE2-CZ 3.55Å; H181-F378 WeakPolarHBondContact O-CE2 3.41Å; H181-S406 WeakPolarHBondContact CB-O 3.22Å; H181-S406 PolarHBondContact N-OG 2.85Å; H181-L409 HydrophobicContact CB-CB 4.35Å; H181-L409 WeakPolarHBondContact O-CD1 3.44Å
182	D	97	Very high	96	Very high	13 Å²	13	22 Å²	22	7%	0.07	12%	0.123	C	C	.	.			trans	-97.4	-10.3	-178.1	78.8	-31.5	0	0	0	113.4	R184 T185 F186 F378 W466	D182-R184 PolarHBondContact O-N 3Å; D182-R184 VanDerWaalsContact OD1-C 3.3Å; D182-R184 PolarHBondContact OD1-N 3.27Å; D182-T185 VanDerWaalsContact CG-N 3.28Å; D182-T185 PolarHBondContact OD1-N 2.67Å; D182-T185 PolarHBondContact OD2-N 2.85Å; D182-T185 PolarHBondContact OD2-OG1 3.42Å; D182-F186 HydrophobicContact CB-CD1 4.05Å; D182-F186 HydrophobicContact CB-CE1 3.85Å; D182-F186 PolarHBondContact N-O 3.1Å; D182-F186 PolarHBondContact OD1-N 3.32Å; D182-F378 HydrophobicContact CB-CD2 4.24Å; D182-W466 HydrophobicContact CB-CZ2 3.94Å; D182-W466 PolarHBondContact O-NE1 2.87Å
183	G	95.6	Very high	96.2	Very high	5 Å²	5	20.6 Å²	20.6	5%	0.052	11%	0.108	C	C	.	.	S	Bend	trans	82	-0.3	-177.7	0	0	0	0	0	113.5	H181	H181-G183 WeakPolarHBondContact ND1-CA 3.4Å; H181-G183 PolarHBondContact ND1-N 2.85Å
184	R	93.2	Very high	95.9	Very high	31 Å²	31	21.7 Å²	21.7	12%	0.117	12%	0.115	C	C	.	.	S	Bend	trans	-131.6	-80.6	-179.3	-65.1	-175.5	180	-89.3	-5.1	110.4	S123 S125 L126 D182 K204 D467	S123-R184 PolarHBondContact OG-NH1 3.3Å; S125-R184 PolarHBondContact OG-NH1 2.64Å; L126-R184 HydrophobicContact CD2-CG 3.85Å; D182-R184 PolarHBondContact O-N 3Å; D182-R184 VanDerWaalsContact OD1-C 3.3Å; D182-R184 PolarHBondContact OD1-N 3.27Å; R184-K204 WeakPolarHBondContact O-CE 3.48Å; R184-K204 PolarHBondContact O-NZ 2.97Å; R184-D467 IonicContact CZ-OD1 3.5Å; R184-D467 IonicContact CZ-OD2 3.76Å; R184-D467 IonicContact NE-OD1 3.84Å; R184-D467 IonicContact NE-OD2 3.42Å; R184-D467 PolarHBondContact NE-OD2 2.82Å; R184-D467 IonicContact NH2-OD1 2.85Å; R184-D467 PolarHBondContact NH2-OD1 2.92Å; R184-D467 IonicContact NH2-OD2 3.13Å; R184-D467 PolarHBondContact NH2-OD2 2.91Å
185	T	93	Very high	95.7	Very high	25 Å²	25	19.7 Å²	19.7	15%	0.153	10%	0.103	C	C	.	.	S	Bend	trans	-92.8	-26.4	-161.1	62.1	0	0	0	0	114.4	D182 V203 K204 Q374	D182-T185 VanDerWaalsContact CG-N 3.28Å; D182-T185 PolarHBondContact OD1-N 2.67Å; D182-T185 PolarHBondContact OD2-N 2.85Å; D182-T185 PolarHBondContact OD2-OG1 3.42Å; T185-V203 CarbonylContact O-C 3.53Å; T185-K204 PolarHBondContact O-N 2.58Å; T185-Q374 PolarHBondContact OG1-OE1 3.2Å
186	F	96.2	Very high	95.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166.7	-174.6	90.7	-68.5	0	0	0	113.5	E180 D182 F202 V203 L371 Q374 F378	E180-F186 HydrophobicContact CB-CE2 3.96Å; E180-F186 HydrophobicContact CB-CZ 4.11Å; D182-F186 HydrophobicContact CB-CD1 4.05Å; D182-F186 HydrophobicContact CB-CE1 3.85Å; D182-F186 PolarHBondContact N-O 3.1Å; D182-F186 PolarHBondContact OD1-N 3.32Å; F186-F202 WeakPolarHBondContact CA-O 3.29Å; F186-F202 VanDerWaalsContact CB-O 3.27Å; F186-F202 WeakPolarHBondContact CB-O 3.48Å; F186-V203 HydrophobicContact CB-CG2 4.39Å; F186-L371 HydrophobicContact CD2-CD1 3.84Å; F186-L371 HydrophobicContact CE2-CD1 4.5Å; F186-Q374 HydrophobicContact CB-CB 4.09Å; F186-Q374 HydrophobicContact CB-CG 4.32Å; F186-Q374 HydrophobicContact CD1-CB 3.7Å; F186-Q374 HydrophobicContact CD1-CG 4.49Å; F186-Q374 HydrophobicContact CD2-CB 3.98Å; F186-Q374 HydrophobicContact CE1-CB 4.1Å; F186-Q374 HydrophobicContact CE2-CB 4.37Å; F186-Q374 HydrophobicContact CG-CB 3.63Å; F186-Q374 HydrophobicContact CG-CG 4.37Å; F186-Q374 HydrophobicContact CZ-CB 4.43Å; F186-F378 HydrophobicContact CE1-CB 3.62Å; F186-F378 HydrophobicContact CE1-CD2 4.25Å; F186-F378 HydrophobicContact CE1-CG 4.14Å; F186-F378 HydrophobicContact CZ-CB 3.44Å; F186-F378 VanDerWaalsContact CZ-CB 3.44Å; F186-F378 HydrophobicContact CZ-CD1 4.43Å; F186-F378 HydrophobicContact CZ-CD2 4.24Å; F186-F378 AromaticContact CZ-CG 3.8Å; F186-F378 HydrophobicContact CZ-CG 3.8Å
187	G	98.1	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	154	166.8	0	0	0	0	0	112.1	E180 S201 F202	E180-G187 CarbonylContact O-C 3.53Å; E180-G187 WeakPolarHBondContact O-CA 3.33Å; G187-S201 CarbonylContact O-C 3.47Å; G187-S201 WeakPolarHBondContact O-CA 3.44Å; G187-F202 VanDerWaalsContact N-CE1 3.33Å; G187-F202 PolarHBondContact N-O 2.95Å; G187-F202 VanDerWaalsContact N-O 3.11Å; G187-F202 PolarHBondContact O-N 2.86Å
188	T	98.6	Very high	95.5	Very high	17 Å²	17	19.8 Å²	19.8	10%	0.104	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118	174.7	-67.1	0	0	0	0	109	L179 E180 T199 S201	L179-T188 PolarHBondContact N-O 2.83Å; E180-T188 PolarHBondContact N-O 3.42Å; E180-T188 PolarHBondContact O-N 2.95Å; T188-T199 HydrophobicContact CG2-CG2 3.86Å; T188-S201 WeakPolarHBondContact CG2-OG 3.5Å; T188-S201 PolarHBondContact OG1-OG 3.08Å
189	Q	98.4	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140	176.1	178.2	174.7	-142.7	0	0	110.1	Y136 N177 W178 I191 T199 I200	Y136-Q189 PolarHBondContact O-NE2 3.48Å; Y136-Q189 PolarHBondContact O-OE1 2.91Å; N177-Q189 WeakPolarHBondContact O-CA 3.16Å; W178-Q189 HydrophobicContact CD2-CB 3.91Å; W178-Q189 HydrophobicContact CD2-CG 4.44Å; W178-Q189 HydrophobicContact CE3-CB 3.56Å; W178-Q189 HydrophobicContact CH2-CB 4.34Å; W178-Q189 HydrophobicContact CZ3-CB 3.79Å; Q189-I191 HydrophobicContact CG-CG1 4.06Å; Q189-T199 CarbonylContact O-C 3.54Å; Q189-T199 WeakPolarHBondContact O-CA 3.48Å; Q189-I200 PolarHBondContact N-O 3.15Å; Q189-I200 PolarHBondContact O-N 3.24Å
190	Q	97.9	Very high	95.6	Very high	69 Å²	69	18.1 Å²	18.1	32%	0.322	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.9	168.4	-175.6	178.2	89.9	0	0	109.8	Y176 N177 L179 V192 I197 I198	Y176-Q190 CarbonylContact C-O 3.52Å; Y176-Q190 VanDerWaalsContact CA-O 3.27Å; Y176-Q190 WeakPolarHBondContact CA-O 3.29Å; N177-Q190 PolarHBondContact N-O 3.34Å; N177-Q190 PolarHBondContact O-N 3.47Å; L179-Q190 HydrophobicContact CD1-CB 3.91Å; L179-Q190 HydrophobicContact CD2-CB 4.43Å; L179-Q190 HydrophobicContact CG-CB 4.13Å; Q190-V192 HydrophobicContact CG-CG2 4.5Å; Q190-I197 HydrophobicContact CG-CG2 3.54Å; Q190-I198 CarbonylContact C-O 3.57Å; Q190-I198 WeakPolarHBondContact CA-O 3.39Å
191	I	97.7	Very high	95.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.8	177.5	-54.4	172.3	0	0	0	107.4	Y136 W153 V173 S175 Q189 I197 I198 I200	Y136-I191 HydrophobicContact CD1-CD1 4.35Å; Y136-I191 HydrophobicContact CG-CD1 4.45Å; W153-I191 HydrophobicContact CH2-CD1 3.88Å; W153-I191 HydrophobicContact CH2-CG2 3.94Å; W153-I191 HydrophobicContact CZ2-CG2 3.86Å; W153-I191 HydrophobicContact CZ3-CD1 4.11Å; V173-I191 HydrophobicContact CG1-CG2 3.74Å; V173-I191 HydrophobicContact CG2-CG2 4.44Å; S175-I191 CarbonylContact O-C 3.48Å; Q189-I191 HydrophobicContact CG-CG1 4.06Å; I191-I197 CarbonylContact O-C 3.54Å; I191-I197 WeakPolarHBondContact O-CA 3.37Å; I191-I198 HydrophobicContact CB-CB 4.35Å; I191-I198 PolarHBondContact N-O 3.12Å; I191-I198 PolarHBondContact O-N 2.88Å; I191-I200 HydrophobicContact CD1-CD1 3.93Å
192	V	95.4	Very high	95.5	Very high	21 Å²	21	17 Å²	17	13%	0.127	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	103.6	177.6	-175.5	0	0	0	0	108.4	L174 S175 Q190 I197	L174-V192 HydrophobicContact CB-CB 4.47Å; L174-V192 HydrophobicContact CB-CG1 4.27Å; L174-V192 WeakPolarHBondContact CB-O 3.49Å; L174-V192 HydrophobicContact CD1-CG1 4.27Å; L174-V192 PolarHBondContact N-O 3.3Å; S175-V192 PolarHBondContact N-O 3.33Å; S175-V192 PolarHBondContact O-N 3.16Å; S175-V192 WeakPolarHBondContact OG-CG2 3.37Å; Q190-V192 HydrophobicContact CG-CG2 4.5Å; V192-I197 HydrophobicContact CG1-CG1 4.41Å; V192-I197 HydrophobicContact CG2-CG2 4.46Å
193	D	92.8	Very high	95.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.			trans	-93.4	-179.8	173.8	-159.2	-19.6	0	0	0	110.1	W153 R164 H196 R223	W153-D193 PolarHBondContact NE1-OD2 3.14Å; R164-D193 IonicContact NE-OD2 3.53Å; R164-D193 IonicContact NH2-OD1 2.78Å; D193-H196 WeakPolarHBondContact CA-O 3.37Å; D193-H196 PolarHBondContact N-O 3.26Å; D193-R223 WeakPolarHBondContact O-CD 3.25Å; D193-R223 PolarHBondContact O-NH1 2.65Å
194	T	87.7	Confident	95.2	Very high	43 Å²	43	16.3 Å²	16.3	26%	0.264	9%	0.085	S	C	.	.	S	Bend	trans	-52.4	-47.6	175.2	47.7	0	0	0	0	114	I155 R223	I155-T194 VanDerWaalsContact CD1-OG1 3.29Å; I155-T194 WeakPolarHBondContact CD1-OG1 3.19Å; T194-R223 PolarHBondContact O-NE 2.9Å; T194-R223 PolarHBondContact O-NH1 3.13Å; T194-R223 PolarHBondContact O-NH2 3.04Å; T194-R223 VanDerWaalsContact O-NH2 3.1Å
195	H	88.6	Confident	94.6	Very high	53 Å²	53	15.6 Å²	15.6	25%	0.245	8%	0.084	C	C	.	.	S	Bend	trans	-113.9	-19.7	-177.3	-64.8	-84.8	0	0	0	114.1	I155 R223 Y230	I155-H195 HydrophobicContact CD1-CB 4Å; H195-R223 WeakPolarHBondContact O-CB 3.45Å; H195-R223 PolarHBondContact O-N 3.28Å; H195-Y230 AromaticContact CE1-CD2 3.82Å; H195-Y230 AromaticContact CE1-CE2 3.82Å; H195-Y230 AromaticContact ND1-CD2 3.82Å
196	H	92.4	Very high	93.3	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.014	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	-169.6	-58	107.8	0	0	0	111.7	D193 I198 V221 Y230	D193-H196 WeakPolarHBondContact CA-O 3.37Å; D193-H196 PolarHBondContact N-O 3.26Å; H196-I198 HydrophobicContact CB-CG1 4.2Å; H196-V221 WeakPolarHBondContact CA-O 3.5Å; H196-Y230 PolarHBondContact CE1-O 2.98Å; H196-Y230 PolarHBondContact NE2-O 3.04Å; H196-Y230 VanDerWaalsContact NE2-O 3.17Å
197	I	94.9	Very high	91.5	Very high	40 Å²	40	20.9 Å²	20.9	21%	0.205	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.4	162.3	-57.8	173.1	0	0	0	105.9	Q190 I191 V192 A220 V221 R223	Q190-I197 HydrophobicContact CG-CG2 3.54Å; I191-I197 CarbonylContact O-C 3.54Å; I191-I197 WeakPolarHBondContact O-CA 3.37Å; V192-I197 HydrophobicContact CG1-CG1 4.41Å; V192-I197 HydrophobicContact CG2-CG2 4.46Å; I197-A220 CarbonylContact O-C 3.58Å; I197-A220 VanDerWaalsContact O-CA 3.23Å; I197-A220 WeakPolarHBondContact O-CA 3.4Å; I197-V221 HydrophobicContact CB-CG2 3.9Å; I197-V221 PolarHBondContact N-O 2.92Å; I197-V221 PolarHBondContact O-N 3.29Å; I197-R223 HydrophobicContact CD1-CG 4.35Å; I197-R223 HydrophobicContact CG1-CB 4.24Å; I197-R223 HydrophobicContact CG1-CG 4.15Å
198	I	96.8	Very high	89.3	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.3	-178.3	-56.8	171.3	0	0	0	107.9	W153 Q190 I191 H196 I200 I218 S219 A220 L232	W153-I198 HydrophobicContact CD2-CD1 3.79Å; W153-I198 HydrophobicContact CG-CD1 3.72Å; W153-I198 HydrophobicContact CZ2-CD1 4.34Å; Q190-I198 CarbonylContact C-O 3.57Å; Q190-I198 WeakPolarHBondContact CA-O 3.39Å; I191-I198 HydrophobicContact CB-CB 4.35Å; I191-I198 PolarHBondContact N-O 3.12Å; I191-I198 PolarHBondContact O-N 2.88Å; H196-I198 HydrophobicContact CB-CG1 4.2Å; I198-I200 HydrophobicContact CG2-CD1 4.5Å; I198-I200 HydrophobicContact CG2-CG1 4.06Å; I198-I218 HydrophobicContact CG2-CG2 4.1Å; I198-S219 CarbonylContact C-O 3.58Å; I198-S219 WeakPolarHBondContact CA-O 3.45Å; I198-A220 HydrophobicContact CG1-CB 4.07Å; I198-L232 HydrophobicContact CD1-CD1 4.26Å; I198-L232 HydrophobicContact CD1-CD2 4.13Å; I198-L232 HydrophobicContact CG1-CD2 4.1Å
199	T	98.2	Very high	87.1	Confident	23 Å²	23	35 Å²	35	14%	0.141	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.3	172.6	-54.3	0	0	0	0	108.5	T188 Q189 S219	T188-T199 HydrophobicContact CG2-CG2 3.86Å; Q189-T199 CarbonylContact O-C 3.54Å; Q189-T199 WeakPolarHBondContact O-CA 3.48Å; T199-S219 PolarHBondContact N-O 3.5Å; T199-S219 PolarHBondContact O-N 3.16Å
200	I	98.5	Very high	85	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118	174.9	-52.4	177.1	0	0	0	107.7	F137 V151 Q189 I191 I198 V216 R217 I218	F137-I200 HydrophobicContact CB-CD1 3.73Å; F137-I200 HydrophobicContact CB-CG2 4.31Å; F137-I200 HydrophobicContact CD1-CG2 3.99Å; F137-I200 HydrophobicContact CD2-CB 4.09Å; F137-I200 HydrophobicContact CD2-CG2 3.42Å; F137-I200 VanDerWaalsContact CD2-CG2 3.42Å; F137-I200 HydrophobicContact CE1-CG2 4.18Å; F137-I200 HydrophobicContact CE2-CB 4.5Å; F137-I200 HydrophobicContact CE2-CG2 3.58Å; F137-I200 HydrophobicContact CG-CB 4.45Å; F137-I200 HydrophobicContact CG-CD1 4.23Å; F137-I200 HydrophobicContact CG-CG2 3.64Å; F137-I200 HydrophobicContact CZ-CG2 3.99Å; V151-I200 HydrophobicContact CB-CD1 4.43Å; V151-I200 HydrophobicContact CG1-CD1 4.17Å; Q189-I200 PolarHBondContact N-O 3.15Å; Q189-I200 PolarHBondContact O-N 3.24Å; I191-I200 HydrophobicContact CD1-CD1 3.93Å; I198-I200 HydrophobicContact CG2-CD1 4.5Å; I198-I200 HydrophobicContact CG2-CG1 4.06Å; I200-V216 HydrophobicContact CG2-CG1 3.83Å; I200-R217 WeakPolarHBondContact CA-O 3.45Å; I200-I218 HydrophobicContact CG1-CG1 4.37Å; I200-I218 HydrophobicContact CG1-CG2 4.46Å; I200-I218 HydrophobicContact CG2-CG1 4.4Å
201	S	98.4	Very high	83	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.9	177.6	-63.4	0	0	0	0	110.2	G187 T188 V216 R217	G187-S201 CarbonylContact O-C 3.47Å; G187-S201 WeakPolarHBondContact O-CA 3.44Å; T188-S201 WeakPolarHBondContact CG2-OG 3.5Å; T188-S201 PolarHBondContact OG1-OG 3.08Å; S201-V216 CarbonylContact O-C 3.5Å; S201-V216 WeakPolarHBondContact O-CA 3.3Å; S201-R217 PolarHBondContact N-O 2.98Å; S201-R217 PolarHBondContact O-N 3.15Å
202	F	97.3	Very high	81.7	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.9	169.4	76.8	-86.4	0	0	0	111	F137 M139 W178 H181 F186 G187 K204 T215 V216	F137-F202 AromaticContact CE2-CD1 3.96Å; F137-F202 HydrophobicContact CE2-CD1 3.96Å; F137-F202 HydrophobicContact CZ-CB 4.04Å; F137-F202 HydrophobicContact CZ-CD1 4.04Å; F137-F202 HydrophobicContact CZ-CG 4.35Å; M139-F202 HydrophobicContact CE-CD2 4.11Å; M139-F202 HydrophobicContact SD-CB 4.25Å; M139-F202 HydrophobicContact SD-CG 4.39Å; W178-F202 HydrophobicContact CH2-CD1 4.15Å; W178-F202 AromaticContact CH2-CE1 3.88Å; W178-F202 HydrophobicContact CH2-CE1 3.88Å; W178-F202 HydrophobicContact CZ3-CD1 4.16Å; W178-F202 AromaticContact CZ3-CE1 3.91Å; W178-F202 HydrophobicContact CZ3-CE1 3.91Å; H181-F202 AromaticContact CD2-CE1 3.81Å; H181-F202 AromaticContact NE2-CE1 3.5Å; H181-F202 WeakPolarHBondContact NE2-CE1 3.47Å; H181-F202 AromaticContact NE2-CZ 3.55Å; F186-F202 WeakPolarHBondContact CA-O 3.29Å; F186-F202 VanDerWaalsContact CB-O 3.27Å; F186-F202 WeakPolarHBondContact CB-O 3.48Å; G187-F202 VanDerWaalsContact N-CE1 3.33Å; G187-F202 PolarHBondContact N-O 2.95Å; G187-F202 VanDerWaalsContact N-O 3.11Å; G187-F202 PolarHBondContact O-N 2.86Å; F202-K204 HydrophobicContact CD2-CG 4.44Å; F202-T215 CarbonylContact C-O 3.51Å; F202-T215 WeakPolarHBondContact CA-O 3.4Å; F202-V216 HydrophobicContact CB-CG2 3.9Å
203	V	95	Very high	81.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.7	176.1	175.7	0	0	0	0	108.3	T185 F186 W214 T215 F362 F367 E370 L371	T185-V203 CarbonylContact O-C 3.53Å; F186-V203 HydrophobicContact CB-CG2 4.39Å; V203-W214 WeakPolarHBondContact O-CA 3.41Å; V203-T215 PolarHBondContact N-O 2.95Å; V203-T215 PolarHBondContact O-N 2.94Å; V203-F362 HydrophobicContact CG1-CD2 4.06Å; V203-F362 HydrophobicContact CG1-CE2 4.15Å; V203-F367 HydrophobicContact CB-CD2 4.48Å; V203-F367 HydrophobicContact CB-CE2 4Å; V203-F367 HydrophobicContact CG2-CD2 4.39Å; V203-F367 HydrophobicContact CG2-CE2 3.8Å; V203-F367 HydrophobicContact CG2-CZ 3.97Å; V203-E370 HydrophobicContact CG1-CB 4.28Å; V203-E370 HydrophobicContact CG1-CG 3.5Å; V203-E370 VanDerWaalsContact CG1-CG 3.5Å; V203-L371 HydrophobicContact CG2-CB 4.02Å; V203-L371 HydrophobicContact CG2-CD1 3.85Å
204	K	91.1	Very high	81.4	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.017	19%	0.185	C	C	.	.			trans	-112.3	138.3	167.5	-55.8	-164.7	-56.9	-160.9	0	109.2	S125 W128 R184 T185 F202 W214	S125-K204 PolarHBondContact O-NZ 2.81Å; W128-K204 HydrophobicContact CB-CD 4.23Å; W128-K204 PolarHBondContact O-NZ 2.93Å; R184-K204 WeakPolarHBondContact O-CE 3.48Å; R184-K204 PolarHBondContact O-NZ 2.97Å; T185-K204 PolarHBondContact O-N 2.58Å; F202-K204 HydrophobicContact CD2-CG 4.44Å; K204-W214 HydrophobicContact CD-CB 4.49Å; K204-W214 HydrophobicContact CG-CB 3.93Å
205	P	80.5	Confident	81.8	Confident	15 Å²	15	31.4 Å²	31.4	10%	0.097	17%	0.172	C	C	.	.			trans	-59.8	143.4	175.8	23.4	-27.9	0	0	0	110.5	S207 D213 F359 F362	P205-S207 PolarHBondContact O-N 3.09Å; P205-D213 VanDerWaalsContact CD-O 3.23Å; P205-D213 WeakPolarHBondContact CD-O 3.41Å; P205-D213 HydrophobicContact CG-CB 3.98Å; P205-F359 HydrophobicContact CB-CD2 4Å; P205-F359 HydrophobicContact CB-CE2 3.94Å; P205-F359 HydrophobicContact CB-CZ 4.45Å; P205-F359 HydrophobicContact CG-CD1 4.34Å; P205-F359 HydrophobicContact CG-CD2 4.08Å; P205-F359 HydrophobicContact CG-CE1 4.34Å; P205-F359 HydrophobicContact CG-CE2 4.12Å; P205-F359 HydrophobicContact CG-CG 4.21Å; P205-F359 HydrophobicContact CG-CZ 4.24Å; P205-F362 HydrophobicContact CB-CE2 3.98Å; P205-F362 HydrophobicContact CB-CZ 4.4Å
206	S	65.7	Low	82.2	Confident	65 Å²	65	28.9 Å²	28.9	46%	0.455	16%	0.161	S	C	.	.			trans	-79	-3.7	-175.2	11.5	0	0	0	0	113.2	D208	S206-D208 PolarHBondContact O-N 3.37Å
207	S	58.4	Low	82.5	Confident	73 Å²	73	29.8 Å²	29.8	51%	0.51	16%	0.164	S	C	.	.			trans	-74.3	116.2	-177.3	55.4	0	0	0	0	111.6	P205 F209	P205-S207 PolarHBondContact O-N 3.09Å; S207-F209 PolarHBondContact O-N 2.93Å
208	D	51.3	Low	82.6	Confident	132 Å²	132	27.9 Å²	27.9	71%	0.706	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.2	-174.8	-70.5	-44.1	0	0	0	115.2	H124 S206	H124-D208 PolarHBondContact ND1-O 2.93Å; S206-D208 PolarHBondContact O-N 3.37Å
209	F	52.1	Low	82.7	Confident	182 Å²	182	28.1 Å²	28.1	80%	0.798	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-23.4	-167.6	-91.1	-86.3	0	0	0	115.5	H124 S207	H124-F209 PolarHBondContact CE1-O 2.79Å; H124-F209 PolarHBondContact ND1-O 3.33Å; S207-F209 PolarHBondContact O-N 2.93Å
210	I	54.3	Low	82.5	Confident	44 Å²	44	27 Å²	27	23%	0.226	15%	0.149	C	C	.	.			trans	-151.2	90.9	169.6	-33.7	174.2	0	0	0	109.1	S212	I210-S212 WeakPolarHBondContact CG2-OG 3.46Å; I210-S212 PolarHBondContact O-N 3.38Å
211	G	55.3	Low	82.3	Confident	11 Å²	11	28.6 Å²	28.6	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	34.2	174.5	0	0	0	0	0	113.8	H124	H124-G211 WeakPolarHBondContact O-CA 3.28Å
212	S	71.6	Confident	81.9	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.014	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-22.5	-177.3	56.3	0	0	0	0	114.5	W128 I210 F352 R354	W128-S212 PolarHBondContact NE1-O 3.13Å; W128-S212 VanDerWaalsContact NE1-O 3.16Å; I210-S212 WeakPolarHBondContact CG2-OG 3.46Å; I210-S212 PolarHBondContact O-N 3.38Å; S212-F352 VanDerWaalsContact O-CD1 3.31Å; S212-F352 WeakPolarHBondContact O-CD1 3.35Å; S212-F352 WeakPolarHBondContact O-CE1 3.33Å; S212-R354 WeakPolarHBondContact OG-CD 3.39Å; S212-R354 WeakPolarHBondContact OG-CG 3.44Å
213	D	88	Confident	81.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.186	C	C	.	.			trans	-98.5	150.2	-166	-55.1	-14.3	0	0	0	110.8	P205 F352 F353 R354 S357 F359	P205-D213 VanDerWaalsContact CD-O 3.23Å; P205-D213 WeakPolarHBondContact CD-O 3.41Å; P205-D213 HydrophobicContact CG-CB 3.98Å; D213-F352 WeakPolarHBondContact CA-O 3.17Å; D213-F353 WeakPolarHBondContact OD1-CA 3.26Å; D213-R354 PolarHBondContact OD1-N 3.44Å; D213-R354 VanDerWaalsContact OD1-N 3.09Å; D213-S357 WeakPolarHBondContact OD2-CB 3.37Å; D213-S357 PolarHBondContact OD2-OG 2.97Å; D213-F359 HydrophobicContact CB-CD1 3.71Å; D213-F359 HydrophobicContact CB-CE1 4.12Å; D213-F359 HydrophobicContact CB-CG 4.47Å; D213-F359 WeakPolarHBondContact OD2-CB 3.4Å
214	W	93.3	Very high	81	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	150.7	-179.8	52.8	-95.6	0	0	0	111.8	W128 M139 F149 V203 K204 V216 F238 V350 F352	W128-W214 AromaticContact CD2-CD1 3.81Å; W128-W214 AromaticContact CD2-NE1 3.43Å; W128-W214 AromaticContact CE2-NE1 3.7Å; W128-W214 AromaticContact CE3-NE1 3.46Å; W128-W214 AromaticContact CG-CD1 3.81Å; W128-W214 AromaticContact CG-NE1 3.95Å; W128-W214 HydrophobicContact CZ3-CZ2 4.36Å; W128-W214 AromaticContact CZ3-NE1 3.79Å; M139-W214 HydrophobicContact CE-CB 3.99Å; M139-W214 HydrophobicContact CE-CD2 4.02Å; M139-W214 HydrophobicContact CE-CG 3.74Å; M139-W214 HydrophobicContact SD-CD2 3.92Å; M139-W214 HydrophobicContact SD-CE3 3.98Å; M139-W214 HydrophobicContact SD-CG 4.27Å; M139-W214 HydrophobicContact SD-CZ3 4.46Å; F149-W214 HydrophobicContact CB-CH2 4.02Å; F149-W214 HydrophobicContact CB-CZ2 4.11Å; F149-W214 AromaticContact CD1-CH2 3.92Å; F149-W214 HydrophobicContact CD1-CH2 3.92Å; F149-W214 HydrophobicContact CD1-CZ3 4.31Å; F149-W214 AromaticContact CD2-CH2 3.76Å; F149-W214 HydrophobicContact CD2-CH2 3.76Å; F149-W214 HydrophobicContact CE1-CH2 4.33Å; F149-W214 HydrophobicContact CE1-CZ3 4.35Å; F149-W214 HydrophobicContact CE2-CH2 4.14Å; F149-W214 AromaticContact CG-CH2 3.62Å; F149-W214 HydrophobicContact CG-CH2 3.62Å; F149-W214 HydrophobicContact CG-CZ2 4.22Å; F149-W214 HydrophobicContact CG-CZ3 4.41Å; F149-W214 HydrophobicContact CZ-CH2 4.42Å; F149-W214 HydrophobicContact CZ-CZ3 4.45Å; V203-W214 WeakPolarHBondContact O-CA 3.41Å; K204-W214 HydrophobicContact CD-CB 4.49Å; K204-W214 HydrophobicContact CG-CB 3.93Å; W214-V216 HydrophobicContact CE3-CB 4.45Å; W214-V216 HydrophobicContact CE3-CG2 3.65Å; W214-V216 HydrophobicContact CZ3-CB 4.2Å; W214-V216 HydrophobicContact CZ3-CG2 3.6Å; W214-F238 AromaticContact CH2-CE1 3.93Å; W214-F238 HydrophobicContact CH2-CE1 3.93Å; W214-F238 HydrophobicContact CH2-CZ 4.06Å; W214-F238 HydrophobicContact CZ2-CE1 4.15Å; W214-V350 HydrophobicContact CZ3-CG1 4.29Å; W214-F352 AromaticContact CD1-CD1 3.95Å; W214-F352 HydrophobicContact CD2-CB 3.67Å; W214-F352 HydrophobicContact CD2-CG 4.47Å; W214-F352 AromaticContact CE2-CG 3.75Å; W214-F352 HydrophobicContact CE3-CB 4.08Å; W214-F352 HydrophobicContact CG-CB 4.19Å; W214-F352 HydrophobicContact CH2-CB 3.94Å; W214-F352 HydrophobicContact CZ2-CB 3.5Å; W214-F352 VanDerWaalsContact CZ2-CB 3.5Å; W214-F352 HydrophobicContact CZ2-CD2 4.19Å; W214-F352 AromaticContact CZ2-CG 3.91Å; W214-F352 HydrophobicContact CZ2-CG 3.91Å; W214-F352 HydrophobicContact CZ3-CB 4.2Å; W214-F352 PolarHBondContact N-O 3.37Å; W214-F352 AromaticContact NE1-CD1 3.58Å; W214-F352 AromaticContact NE1-CG 3.6Å; W214-F352 PolarHBondContact O-N 3.28Å
215	T	95.9	Very high	80.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.6	165	-51.6	0	0	0	0	109.4	F202 V203 D349 V350 E351 F362 F367	F202-T215 CarbonylContact C-O 3.51Å; F202-T215 WeakPolarHBondContact CA-O 3.4Å; V203-T215 PolarHBondContact N-O 2.95Å; V203-T215 PolarHBondContact O-N 2.94Å; T215-D349 HydrophobicContact CG2-CB 4.32Å; T215-V350 CarbonylContact C-O 3.53Å; T215-V350 VanDerWaalsContact CA-O 3.31Å; T215-V350 WeakPolarHBondContact CA-O 3.42Å; T215-E351 HydrophobicContact CG2-CG 3.93Å; T215-F362 WeakPolarHBondContact CB-O 3.3Å; T215-F362 WeakPolarHBondContact CG2-O 3.45Å; T215-F362 PolarHBondContact OG1-O 3.48Å; T215-F367 HydrophobicContact CG2-CD2 3.58Å; T215-F367 HydrophobicContact CG2-CE2 3.8Å
216	V	97.9	Very high	79.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.7	165.6	174.9	0	0	0	0	109.7	F137 M139 F149 I200 S201 F202 W214 I218 D349 V350	F137-V216 HydrophobicContact CD1-CG1 4.49Å; F137-V216 HydrophobicContact CE1-CB 4.44Å; F137-V216 HydrophobicContact CE1-CG1 3.83Å; F137-V216 HydrophobicContact CE1-CG2 3.68Å; F137-V216 HydrophobicContact CZ-CG1 4.07Å; F137-V216 HydrophobicContact CZ-CG2 3.78Å; M139-V216 HydrophobicContact SD-CG2 3.63Å; F149-V216 HydrophobicContact CD1-CG2 4.46Å; F149-V216 HydrophobicContact CE1-CB 4.19Å; F149-V216 HydrophobicContact CE1-CG1 4.15Å; F149-V216 HydrophobicContact CE1-CG2 3.83Å; F149-V216 HydrophobicContact CZ-CB 4.35Å; F149-V216 HydrophobicContact CZ-CG1 4.36Å; F149-V216 HydrophobicContact CZ-CG2 4.42Å; I200-V216 HydrophobicContact CG2-CG1 3.83Å; S201-V216 CarbonylContact O-C 3.5Å; S201-V216 WeakPolarHBondContact O-CA 3.3Å; F202-V216 HydrophobicContact CB-CG2 3.9Å; W214-V216 HydrophobicContact CE3-CB 4.45Å; W214-V216 HydrophobicContact CE3-CG2 3.65Å; W214-V216 HydrophobicContact CZ3-CB 4.2Å; W214-V216 HydrophobicContact CZ3-CG2 3.6Å; V216-I218 HydrophobicContact CG1-CD1 3.89Å; V216-I218 HydrophobicContact CG1-CG1 4.44Å; V216-D349 CarbonylContact O-C 3.54Å; V216-D349 WeakPolarHBondContact O-CA 3.46Å; V216-V350 PolarHBondContact N-O 2.8Å; V216-V350 PolarHBondContact O-N 3.01Å
217	R	98.1	Very high	79.3	Confident	21 Å²	21	52.2 Å²	52.2	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.2	170.9	171.4	166.2	-70.7	171.8	3.2	110.3	I200 S201 P346 D349 G364 F367 S368	I200-R217 WeakPolarHBondContact CA-O 3.45Å; S201-R217 PolarHBondContact N-O 2.98Å; S201-R217 PolarHBondContact O-N 3.15Å; R217-P346 HydrophobicContact CG-CB 4.3Å; R217-D349 VanDerWaalsContact CB-OD1 3.29Å; R217-D349 WeakPolarHBondContact CB-OD1 3.49Å; R217-D349 VanDerWaalsContact CG-OD1 3.25Å; R217-D349 WeakPolarHBondContact CG-OD1 3.18Å; R217-D349 IonicContact CZ-OD1 2.73Å; R217-D349 IonicContact CZ-OD2 3.17Å; R217-D349 IonicContact NE-OD1 3.78Å; R217-D349 PolarHBondContact NE-OD1 3.36Å; R217-D349 IonicContact NE-OD2 2.81Å; R217-D349 IonicContact NH2-OD1 3.87Å; R217-D349 PolarHBondContact NH2-OD1 3.15Å; R217-D349 IonicContact NH2-OD2 3.69Å; R217-D349 PolarHBondContact NH2-OD2 3.38Å; R217-G364 PolarHBondContact NH1-O 3.05Å; R217-G364 VanDerWaalsContact NH2-CA 3.3Å; R217-G364 PolarHBondContact NH2-O 3.28Å; R217-F367 HydrophobicContact CB-CD1 4.09Å; R217-F367 HydrophobicContact CB-CE1 3.45Å; R217-F367 VanDerWaalsContact CB-CE1 3.45Å; R217-F367 HydrophobicContact CB-CE2 4.21Å; R217-F367 HydrophobicContact CB-CZ 3.52Å; R217-F367 HydrophobicContact CG-CE1 4.18Å; R217-S368 PolarHBondContact NH1-OG 3.01Å
218	I	98.2	Very high	79.5	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.4	169.4	-55.6	91.5	0	0	0	108.4	I198 I200 V216 V234 V236 I347 L348	I198-I218 HydrophobicContact CG2-CG2 4.1Å; I200-I218 HydrophobicContact CG1-CG1 4.37Å; I200-I218 HydrophobicContact CG1-CG2 4.46Å; I200-I218 HydrophobicContact CG2-CG1 4.4Å; V216-I218 HydrophobicContact CG1-CD1 3.89Å; V216-I218 HydrophobicContact CG1-CG1 4.44Å; I218-V234 HydrophobicContact CB-CG1 4.38Å; I218-V234 HydrophobicContact CG1-CG1 4.29Å; I218-V234 HydrophobicContact CG2-CG1 4.08Å; I218-V234 HydrophobicContact CG2-CG2 4Å; I218-V236 HydrophobicContact CD1-CG1 4.35Å; I218-I347 WeakPolarHBondContact O-CB 3.35Å; I218-I347 PolarHBondContact O-N 3.1Å; I218-L348 HydrophobicContact CD1-CB 4.32Å; I218-L348 HydrophobicContact CD1-CD2 4.39Å; I218-L348 HydrophobicContact CD1-CG 4.44Å; I218-L348 PolarHBondContact N-O 3.02Å; I218-L348 PolarHBondContact O-N 3.31Å
219	S	97	Very high	80.5	Confident	7 Å²	7	53.7 Å²	53.7	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.2	170.6	74.1	0	0	0	0	110.2	I198 T199 N344	I198-S219 CarbonylContact C-O 3.58Å; I198-S219 WeakPolarHBondContact CA-O 3.45Å; T199-S219 PolarHBondContact N-O 3.5Å; T199-S219 PolarHBondContact O-N 3.16Å; S219-N344 VanDerWaalsContact CB-OD1 3.29Å; S219-N344 WeakPolarHBondContact CB-OD1 3.47Å; S219-N344 PolarHBondContact OG-ND2 3.45Å; S219-N344 PolarHBondContact OG-OD1 3.44Å
220	A	95.5	Very high	82.1	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.4	172.7	0	0	0	0	0	111.2	I197 I198 L232 P340 I347	I197-A220 CarbonylContact O-C 3.58Å; I197-A220 VanDerWaalsContact O-CA 3.23Å; I197-A220 WeakPolarHBondContact O-CA 3.4Å; I198-A220 HydrophobicContact CG1-CB 4.07Å; A220-L232 HydrophobicContact CB-CD2 3.66Å; A220-P340 HydrophobicContact CB-CB 4.05Å; A220-P340 HydrophobicContact CB-CG 4.04Å; A220-P340 WeakPolarHBondContact O-CB 3.37Å; A220-I347 HydrophobicContact CB-CD1 3.72Å
221	V	93.8	Very high	84	Confident	34 Å²	34	46.7 Å²	46.7	21%	0.206	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	156	168.7	-61.5	0	0	0	0	109.9	H196 I197 R223 N344	H196-V221 WeakPolarHBondContact CA-O 3.5Å; I197-V221 HydrophobicContact CB-CG2 3.9Å; I197-V221 PolarHBondContact N-O 2.92Å; I197-V221 PolarHBondContact O-N 3.29Å; V221-R223 PolarHBondContact O-N 3.31Å; V221-N344 HydrophobicContact CG1-CB 3.53Å
222	A	90.1	Very high	85.8	Confident	23 Å²	23	46.1 Å²	46.1	19%	0.19	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	134	170.4	0	0	0	0	0	110.4
223	R	88.6	Confident	87	Confident	113 Å²	113	46 Å²	46	43%	0.426	23%	0.225	S	C	.	.	S	Bend	trans	-69.1	-38.8	179	-170.7	-176.1	77.4	-173.1	5.5	111.8	D193 T194 H195 I197 V221	D193-R223 WeakPolarHBondContact O-CD 3.25Å; D193-R223 PolarHBondContact O-NH1 2.65Å; T194-R223 PolarHBondContact O-NE 2.9Å; T194-R223 PolarHBondContact O-NH1 3.13Å; T194-R223 PolarHBondContact O-NH2 3.04Å; T194-R223 VanDerWaalsContact O-NH2 3.1Å; H195-R223 WeakPolarHBondContact O-CB 3.45Å; H195-R223 PolarHBondContact O-N 3.28Å; I197-R223 HydrophobicContact CD1-CG 4.35Å; I197-R223 HydrophobicContact CG1-CB 4.24Å; I197-R223 HydrophobicContact CG1-CG 4.15Å; V221-R223 PolarHBondContact O-N 3.31Å
224	N	84.3	Confident	87.5	Confident	79 Å²	79	46 Å²	46	42%	0.422	23%	0.225	S	C	.	.	S	Bend	trans	-124.2	119.2	175.5	-178.3	4	0	0	0	109.1	T226 S227	N224-T226 VanDerWaalsContact CG-OG1 3.25Å; N224-T226 PolarHBondContact ND2-OG1 3.43Å; N224-T226 VanDerWaalsContact ND2-OG1 3.13Å; N224-T226 PolarHBondContact O-N 3.09Å; N224-T226 VanDerWaalsContact O-N 3.09Å; N224-T226 PolarHBondContact OD1-N 2.88Å; N224-T226 VanDerWaalsContact OD1-N 3.17Å; N224-T226 PolarHBondContact OD1-OG1 2.98Å; N224-S227 WeakPolarHBondContact CB-OG 3.37Å; N224-S227 PolarHBondContact O-N 2.81Å; N224-S227 PolarHBondContact O-OG 3.2Å
225	R	72.1	Confident	87.7	Confident	203 Å²	203	46 Å²	46	77%	0.766	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.6	-178.4	-63.4	-173.6	-177.7	178.7	-3	113.8
226	T	67.5	Low	87.8	Confident	124 Å²	124	46.1 Å²	46.1	76%	0.761	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-11.9	-177.6	58.3	0	0	0	0	113.9	N224	N224-T226 VanDerWaalsContact CG-OG1 3.25Å; N224-T226 PolarHBondContact ND2-OG1 3.43Å; N224-T226 VanDerWaalsContact ND2-OG1 3.13Å; N224-T226 PolarHBondContact O-N 3.09Å; N224-T226 VanDerWaalsContact O-N 3.09Å; N224-T226 PolarHBondContact OD1-N 2.88Å; N224-T226 VanDerWaalsContact OD1-N 3.17Å; N224-T226 PolarHBondContact OD1-OG1 2.98Å
227	S	62.5	Low	87.8	Confident	46 Å²	46	46.1 Å²	46.1	32%	0.322	23%	0.226	S	C	.	.	S	Bend	trans	-89.9	151.4	-178.5	50.9	0	0	0	0	112.3	N224 E229	N224-S227 WeakPolarHBondContact CB-OG 3.37Å; N224-S227 PolarHBondContact O-N 2.81Å; N224-S227 PolarHBondContact O-OG 3.2Å; S227-E229 PolarHBondContact O-N 3.17Å
228	M	62.3	Low	87.8	Confident	153 Å²	153	45.2 Å²	45.2	75%	0.754	22%	0.222	S	C	*	.			trans	-51.9	124.1	177.2	-132.6	177.4	-87.9	0	0	111.1	Y230	M228-Y230 PolarHBondContact O-N 3.4Å
229	E	72	Confident	87.7	Confident	84 Å²	84	45.4 Å²	45.4	39%	0.393	22%	0.223	S	C	.	.			trans	-76	84.5	179.5	-68.6	-179.3	167.8	0	0	110.5	S227	S227-E229 PolarHBondContact O-N 3.17Å
230	Y	86.8	Confident	87.5	Confident	61 Å²	61	45.3 Å²	45.3	24%	0.239	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-61.9	131.4	168.2	-70.7	-69.3	0	0	0	109.7	I155 D157 H195 H196 M228 L232	I155-Y230 VanDerWaalsContact CG2-CB 3.42Å; I155-Y230 HydrophobicContact CG2-CG 4.12Å; D157-Y230 HydrophobicContact CB-CD1 4.09Å; D157-Y230 HydrophobicContact CB-CE1 4.23Å; D157-Y230 HydrophobicContact CB-CG 4.34Å; H195-Y230 AromaticContact CE1-CD2 3.82Å; H195-Y230 AromaticContact CE1-CE2 3.82Å; H195-Y230 AromaticContact ND1-CD2 3.82Å; H196-Y230 PolarHBondContact CE1-O 2.98Å; H196-Y230 PolarHBondContact NE2-O 3.04Å; H196-Y230 VanDerWaalsContact NE2-O 3.17Å; M228-Y230 PolarHBondContact O-N 3.4Å; Y230-L232 PolarHBondContact O-N 3.42Å
231	P	92.7	Very high	87.3	Confident	17 Å²	17	47 Å²	47	11%	0.11	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-59	139.9	175.7	-22.1	32.7	0	0	0	111.7	Q156 L282 F313 T338 K339	Q156-P231 HydrophobicContact CB-CB 4.11Å; Q156-P231 HydrophobicContact CB-CG 4.47Å; Q156-P231 WeakPolarHBondContact CB-O 3.49Å; Q156-P231 HydrophobicContact CG-CB 4.39Å; Q156-P231 PolarHBondContact N-O 3.37Å; P231-L282 HydrophobicContact CB-CD1 3.9Å; P231-L282 HydrophobicContact CG-CD1 3.95Å; P231-F313 HydrophobicContact CB-CE2 4.47Å; P231-F313 HydrophobicContact CB-CZ 3.89Å; P231-F313 HydrophobicContact CG-CE1 4.11Å; P231-F313 HydrophobicContact CG-CZ 3.74Å; P231-T338 CarbonylContact C-O 3.6Å; P231-T338 WeakPolarHBondContact CA-O 3.07Å; P231-K339 HydrophobicContact CB-CG 4.42Å; P231-K339 HydrophobicContact CG-CG 4.2Å
232	L	94.5	Very high	86.7	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.6	173.6	-178.6	66.6	0	0	0	109	W153 I155 I198 A220 Y230 V234 S337 T338 P340 I347	W153-L232 HydrophobicContact CB-CD1 4.15Å; W153-L232 HydrophobicContact CG-CD1 4.28Å; I155-L232 HydrophobicContact CG1-CD1 4.37Å; I198-L232 HydrophobicContact CD1-CD1 4.26Å; I198-L232 HydrophobicContact CD1-CD2 4.13Å; I198-L232 HydrophobicContact CG1-CD2 4.1Å; A220-L232 HydrophobicContact CB-CD2 3.66Å; Y230-L232 PolarHBondContact O-N 3.42Å; L232-V234 HydrophobicContact CD2-CG2 4.18Å; L232-V234 HydrophobicContact CG-CG2 4.25Å; L232-S337 CarbonylContact O-C 3.59Å; L232-S337 VanDerWaalsContact O-CA 3.31Å; L232-S337 WeakPolarHBondContact O-CA 3.45Å; L232-T338 PolarHBondContact N-O 2.85Å; L232-T338 PolarHBondContact O-N 3.23Å; L232-P340 HydrophobicContact CB-CG 3.84Å; L232-P340 HydrophobicContact CD2-CG 4.26Å; L232-I347 HydrophobicContact CD2-CD1 3.88Å
233	S	96.3	Very high	86.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.9	169.4	-56.3	0	0	0	0	109.7	W153 T154 Q156 E335 T336 S337	W153-S233 CarbonylContact C-O 3.58Å; W153-S233 WeakPolarHBondContact CA-O 3.25Å; W153-S233 WeakPolarHBondContact CB-O 3.39Å; T154-S233 PolarHBondContact N-O 2.93Å; T154-S233 PolarHBondContact O-N 2.76Å; Q156-S233 WeakPolarHBondContact CG-OG 3.42Å; Q156-S233 PolarHBondContact NE2-OG 3.28Å; S233-E335 WeakPolarHBondContact CB-OE1 3.36Å; S233-T336 WeakPolarHBondContact CA-O 3.08Å; S233-S337 VanDerWaalsContact OG-CB 3.29Å; S233-S337 WeakPolarHBondContact OG-CB 3.3Å; S233-S337 PolarHBondContact OG-OG 2.73Å
234	V	97.7	Very high	85.3	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.7	175.6	178	0	0	0	0	107.4	V151 I218 L232 V236 E335 T336 I347 L348	V151-V234 HydrophobicContact CG1-CG1 4.26Å; I218-V234 HydrophobicContact CB-CG1 4.38Å; I218-V234 HydrophobicContact CG1-CG1 4.29Å; I218-V234 HydrophobicContact CG2-CG1 4.08Å; I218-V234 HydrophobicContact CG2-CG2 4Å; L232-V234 HydrophobicContact CD2-CG2 4.18Å; L232-V234 HydrophobicContact CG-CG2 4.25Å; V234-V236 HydrophobicContact CG1-CG1 4.45Å; V234-E335 WeakPolarHBondContact O-CA 3.01Å; V234-T336 HydrophobicContact CB-CG2 4.48Å; V234-T336 PolarHBondContact N-O 2.88Å; V234-T336 PolarHBondContact O-N 3Å; V234-I347 HydrophobicContact CB-CG2 4.43Å; V234-I347 HydrophobicContact CG2-CG2 3.95Å; V234-L348 HydrophobicContact CG1-CD2 4.48Å
235	I	98.3	Very high	85	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.1	178	-58.1	168.6	0	0	0	107.5	V151 M152 Y163 M301 L316 F333 Y334 E335	V151-I235 CarbonylContact C-O 3.58Å; M152-I235 HydrophobicContact CB-CB 4.2Å; M152-I235 PolarHBondContact N-O 3.21Å; M152-I235 PolarHBondContact O-N 2.99Å; M152-I235 VanDerWaalsContact O-O 3.05Å; Y163-I235 HydrophobicContact CD1-CD1 4.08Å; Y163-I235 HydrophobicContact CE1-CD1 3.6Å; I235-M301 HydrophobicContact CD1-SD 3.92Å; I235-M301 HydrophobicContact CG2-SD 4.42Å; I235-L316 HydrophobicContact CG2-CD1 4.39Å; I235-F333 HydrophobicContact CG2-CB 4.19Å; I235-F333 HydrophobicContact CG2-CD1 4.12Å; I235-Y334 CarbonylContact C-O 2.87Å; I235-Y334 VanDerWaalsContact CA-O 3.29Å; I235-Y334 WeakPolarHBondContact CA-O 3.47Å; I235-E335 HydrophobicContact CD1-CG 4.44Å; I235-E335 HydrophobicContact CG1-CB 3.89Å; I235-E335 HydrophobicContact CG1-CG 3.71Å
236	V	98.4	Very high	85.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.8	170.6	-59.9	0	0	0	0	109.4	F149 G150 V151 I218 V234 F275 F333 Y334 L348 V350	F149-V236 HydrophobicContact CE2-CB 3.8Å; F149-V236 HydrophobicContact CE2-CG1 4.16Å; F149-V236 HydrophobicContact CZ-CB 4.21Å; F149-V236 HydrophobicContact CZ-CG1 4.06Å; G150-V236 WeakPolarHBondContact O-CA 3.23Å; V151-V236 HydrophobicContact CG2-CG1 4.27Å; I218-V236 HydrophobicContact CD1-CG1 4.35Å; V234-V236 HydrophobicContact CG1-CG1 4.45Å; V236-F275 HydrophobicContact CG2-CD1 4.42Å; V236-F275 HydrophobicContact CG2-CE1 3.94Å; V236-F333 CarbonylContact O-C 3.36Å; V236-F333 VanDerWaalsContact O-CA 3.3Å; V236-F333 WeakPolarHBondContact O-CA 3.26Å; V236-Y334 HydrophobicContact CG2-CD1 4.2Å; V236-Y334 PolarHBondContact N-O 3.05Å; V236-Y334 PolarHBondContact O-N 3.16Å; V236-L348 HydrophobicContact CG1-CD2 3.73Å; V236-L348 HydrophobicContact CG2-CD2 4.07Å; V236-V350 HydrophobicContact CG1-CG2 4.13Å; V236-V350 HydrophobicContact CG2-CG2 4.2Å
237	Y	98	Very high	86.3	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.4	177.6	68.8	-89.4	0	0	0	112.7	R132 I135 F149 G150 M152 H165 I297 W332 F333	R132-Y237 PolarHBondContact NH1-OH 3.21Å; R132-Y237 PolarHBondContact NH2-OH 3.04Å; I135-Y237 WeakPolarHBondContact CD1-OH 3.49Å; F149-Y237 WeakPolarHBondContact CA-O 3.31Å; G150-Y237 VanDerWaalsContact CA-CE1 3.41Å; G150-Y237 PolarHBondContact N-O 3.45Å; G150-Y237 VanDerWaalsContact N-O 3.07Å; G150-Y237 WeakPolarHBondContact O-CD1 3.44Å; G150-Y237 WeakPolarHBondContact O-CE1 3.44Å; G150-Y237 PolarHBondContact O-N 2.95Å; M152-Y237 HydrophobicContact CE-CD1 3.78Å; M152-Y237 HydrophobicContact CE-CE1 3.69Å; M152-Y237 HydrophobicContact CG-CD1 4.29Å; M152-Y237 HydrophobicContact CG-CE1 4.2Å; H165-Y237 AromaticContact CD2-CE1 3.82Å; H165-Y237 AromaticContact NE2-CE1 3.5Å; H165-Y237 WeakPolarHBondContact NE2-CE1 3.36Å; H165-Y237 AromaticContact NE2-CZ 3.5Å; H165-Y237 PolarHBondContact NE2-OH 3.44Å; Y237-I297 HydrophobicContact CD2-CG2 4.04Å; Y237-I297 HydrophobicContact CE1-CG2 4.36Å; Y237-I297 HydrophobicContact CE2-CD1 3.98Å; Y237-I297 HydrophobicContact CE2-CG2 3.84Å; Y237-I297 HydrophobicContact CG-CG2 4.39Å; Y237-W332 CarbonylContact C-O 3.59Å; Y237-W332 WeakPolarHBondContact CA-O 3.31Å; Y237-W332 WeakPolarHBondContact CB-O 3.29Å; Y237-F333 VanDerWaalsContact CB-CD1 3.4Å; Y237-F333 HydrophobicContact CD1-CE1 4.3Å; Y237-F333 HydrophobicContact CG-CD1 4.21Å; Y237-F333 AromaticContact CG-CE1 3.96Å; Y237-F333 HydrophobicContact CG-CE1 3.96Å
238	F	97.3	Very high	87.6	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132	169.7	-66.6	-93.5	0	0	0	107.9	L147 L148 F149 W214 I249 L261 I273 F275 A331 W332 V350	L147-F238 HydrophobicContact CD1-CB 4.48Å; L147-F238 HydrophobicContact CD2-CD1 4.36Å; L148-F238 CarbonylContact O-C 3.6Å; L148-F238 VanDerWaalsContact O-CA 3.28Å; L148-F238 WeakPolarHBondContact O-CA 3.29Å; F149-F238 HydrophobicContact CB-CE1 4.29Å; F149-F238 HydrophobicContact CD2-CD1 4.26Å; F149-F238 HydrophobicContact CD2-CD2 4.43Å; F149-F238 AromaticContact CD2-CE1 3.68Å; F149-F238 HydrophobicContact CD2-CE1 3.68Å; F149-F238 AromaticContact CD2-CE2 3.83Å; F149-F238 HydrophobicContact CD2-CE2 3.83Å; F149-F238 AromaticContact CD2-CZ 3.44Å; F149-F238 HydrophobicContact CD2-CZ 3.44Å; F149-F238 VanDerWaalsContact CD2-CZ 3.44Å; F149-F238 HydrophobicContact CE2-CE1 4.47Å; F149-F238 HydrophobicContact CE2-CE2 4.02Å; F149-F238 AromaticContact CE2-CZ 3.81Å; F149-F238 HydrophobicContact CE2-CZ 3.81Å; F149-F238 HydrophobicContact CG-CE1 4.38Å; F149-F238 HydrophobicContact CG-CZ 4.48Å; W214-F238 AromaticContact CH2-CE1 3.93Å; W214-F238 HydrophobicContact CH2-CE1 3.93Å; W214-F238 HydrophobicContact CH2-CZ 4.06Å; W214-F238 HydrophobicContact CZ2-CE1 4.15Å; F238-I249 HydrophobicContact CB-CD1 3.95Å; F238-L261 HydrophobicContact CB-CD1 4.38Å; F238-L261 HydrophobicContact CD2-CD1 3.82Å; F238-L261 HydrophobicContact CE2-CD1 4.49Å; F238-L261 HydrophobicContact CG-CD1 4.27Å; F238-I273 HydrophobicContact CD1-CD1 3.43Å; F238-I273 VanDerWaalsContact CD1-CD1 3.43Å; F238-I273 HydrophobicContact CD1-CG1 4.37Å; F238-I273 HydrophobicContact CD2-CD1 4.09Å; F238-I273 HydrophobicContact CE1-CD1 3.38Å; F238-I273 HydrophobicContact CE1-CG1 3.82Å; F238-I273 HydrophobicContact CE1-CG2 4.26Å; F238-I273 HydrophobicContact CE2-CD1 4.08Å; F238-I273 HydrophobicContact CE2-CG2 3.64Å; F238-I273 HydrophobicContact CG-CD1 3.79Å; F238-I273 HydrophobicContact CZ-CB 4.34Å; F238-I273 HydrophobicContact CZ-CD1 3.72Å; F238-I273 HydrophobicContact CZ-CG1 3.91Å; F238-I273 HydrophobicContact CZ-CG2 3.47Å; F238-I273 VanDerWaalsContact CZ-CG2 3.47Å; F238-F275 AromaticContact CE2-CE1 3.87Å; F238-F275 HydrophobicContact CE2-CE1 3.87Å; F238-F275 HydrophobicContact CE2-CZ 4.08Å; F238-A331 CarbonylContact O-C 3.5Å; F238-A331 WeakPolarHBondContact O-CA 3.5Å; F238-W332 PolarHBondContact N-O 3.07Å; F238-W332 PolarHBondContact O-N 3.06Å; F238-V350 HydrophobicContact CE2-CG1 4.26Å; F238-V350 HydrophobicContact CZ-CG1 3.85Å
239	Y	95.5	Very high	88.9	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.2	179.8	163.1	-129.3	0	0	0	110.2	L148 P241 I291 E294 I297 N330 A331	L148-Y239 HydrophobicContact CB-CD1 4.41Å; L148-Y239 WeakPolarHBondContact CB-O 3.35Å; L148-Y239 HydrophobicContact CD1-CD1 3.62Å; L148-Y239 HydrophobicContact CD1-CE1 3.9Å; L148-Y239 HydrophobicContact CG-CD1 4.38Å; L148-Y239 PolarHBondContact N-O 3.27Å; L148-Y239 PolarHBondContact O-N 3.07Å; Y239-P241 HydrophobicContact CE1-CB 4.18Å; Y239-P241 HydrophobicContact CE2-CB 4.46Å; Y239-P241 WeakPolarHBondContact OH-CB 3.44Å; Y239-I291 HydrophobicContact CD2-CB 3.92Å; Y239-I291 HydrophobicContact CD2-CD1 4.05Å; Y239-I291 HydrophobicContact CD2-CG1 4.44Å; Y239-I291 HydrophobicContact CD2-CG2 4.4Å; Y239-I291 HydrophobicContact CE1-CG2 4.28Å; Y239-I291 HydrophobicContact CE2-CB 3.73Å; Y239-I291 HydrophobicContact CE2-CG2 4.02Å; Y239-I291 HydrophobicContact CG-CD1 4.04Å; Y239-E294 HydrophobicContact CE1-CB 4.4Å; Y239-E294 HydrophobicContact CE1-CG 4.02Å; Y239-I297 HydrophobicContact CD1-CD1 3.81Å; Y239-I297 HydrophobicContact CD1-CG1 4.03Å; Y239-I297 HydrophobicContact CE1-CD1 4.33Å; Y239-I297 HydrophobicContact CE1-CG1 4.41Å; Y239-N330 WeakPolarHBondContact CA-O 3.32Å; Y239-A331 HydrophobicContact CD2-CB 4.15Å
240	Y	94.1	Very high	89.9	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.016	18%	0.184	C	C	.	.			trans	-114.9	118.3	174.8	-171.7	-104.7	0	0	0	110.7	N145 L147 F247 N330	N145-Y240 HydrophobicContact CB-CE2 4.24Å; N145-Y240 WeakPolarHBondContact O-CE2 3.44Å; L147-Y240 HydrophobicContact CB-CD2 4.44Å; Y240-F247 VanDerWaalsContact CB-CE1 3.42Å; Y240-F247 HydrophobicContact CD1-CB 3.43Å; Y240-F247 VanDerWaalsContact CD1-CB 3.43Å; Y240-F247 AromaticContact CD1-CD1 3.55Å; Y240-F247 HydrophobicContact CD1-CD1 3.55Å; Y240-F247 AromaticContact CD1-CD2 3.65Å; Y240-F247 HydrophobicContact CD1-CD2 3.65Å; Y240-F247 HydrophobicContact CD1-CE1 4.18Å; Y240-F247 HydrophobicContact CD1-CE2 4.26Å; Y240-F247 AromaticContact CD1-CG 3.24Å; Y240-F247 HydrophobicContact CD1-CG 3.24Å; Y240-F247 HydrophobicContact CD1-CZ 4.49Å; Y240-F247 AromaticContact CD2-CD2 3.85Å; Y240-F247 HydrophobicContact CD2-CD2 3.85Å; Y240-F247 HydrophobicContact CD2-CE2 4Å; Y240-F247 HydrophobicContact CD2-CG 4.32Å; Y240-F247 HydrophobicContact CE1-CB 3.37Å; Y240-F247 HydrophobicContact CE1-CD1 4.4Å; Y240-F247 HydrophobicContact CE1-CD2 4.07Å; Y240-F247 AromaticContact CE1-CG 3.71Å; Y240-F247 HydrophobicContact CE1-CG 3.71Å; Y240-F247 HydrophobicContact CE2-CD2 4.26Å; Y240-F247 HydrophobicContact CG-CB 4.23Å; Y240-F247 AromaticContact CG-CD1 3.85Å; Y240-F247 HydrophobicContact CG-CD1 3.85Å; Y240-F247 AromaticContact CG-CD2 3.52Å; Y240-F247 HydrophobicContact CG-CD2 3.52Å; Y240-F247 HydrophobicContact CG-CE1 4.02Å; Y240-F247 AromaticContact CG-CE2 3.71Å; Y240-F247 HydrophobicContact CG-CE2 3.71Å; Y240-F247 AromaticContact CG-CG 3.59Å; Y240-F247 HydrophobicContact CG-CG 3.59Å; Y240-F247 AromaticContact CG-CZ 3.95Å; Y240-F247 HydrophobicContact CG-CZ 3.95Å; Y240-N330 PolarHBondContact N-O 3.31Å; Y240-N330 WeakPolarHBondContact O-CB 3.38Å; Y240-N330 PolarHBondContact O-ND2 2.97Å
241	P	89.6	Confident	90.2	Very high	36 Å²	36	35.2 Å²	35.2	23%	0.234	18%	0.184	C	C	.	.			trans	-82.7	-9.6	-178.6	32.9	-34.2	0	0	0	114	S146 Y239	S146-P241 WeakPolarHBondContact O-CD 3.3Å; Y239-P241 HydrophobicContact CE1-CB 4.18Å; Y239-P241 HydrophobicContact CE2-CB 4.46Å; Y239-P241 WeakPolarHBondContact OH-CB 3.44Å
242	G	82.3	Confident	90.2	Very high	14 Å²	14	36.7 Å²	36.7	14%	0.144	19%	0.192	C	C	.	.	S	Bend	trans	-74.6	-177.4	-175.8	0	0	0	0	0	114.6
243	D	77	Confident	90.1	Very high	97 Å²	97	42 Å²	42	52%	0.519	22%	0.22	S	C	.	.			trans	-66.8	145.1	-179.2	-160.2	-13.6	0	0	0	111.4	N245 D246	D243-N245 PolarHBondContact O-N 3.29Å; D243-D246 PolarHBondContact O-N 2.93Å
244	K	71.9	Confident	89.8	Confident	76 Å²	76	44.8 Å²	44.8	33%	0.33	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-66.8	-22.8	-178	-66.2	167.6	170.3	178.1	0	112.7	D246 Q327 P328	K244-D246 VanDerWaalsContact C-N 3.32Å; K244-Q327 VanDerWaalsContact NZ-NE2 3.16Å; K244-P328 HydrophobicContact CB-CG 4.08Å; K244-P328 HydrophobicContact CD-CG 3.6Å; K244-P328 HydrophobicContact CG-CG 3.92Å
245	N	78.4	Confident	89.2	Confident	140 Å²	140	52 Å²	52	75%	0.749	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-75.3	-22.9	-176.8	-65.3	-31.5	0	0	0	113.1	D243	D243-N245 PolarHBondContact O-N 3.29Å
246	D	77.9	Confident	88.5	Confident	91 Å²	91	61.8 Å²	61.8	49%	0.487	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-110.8	11.8	-173.3	-61.8	-33.5	0	0	0	112.8	D243 K244 S265 M266	D243-D246 PolarHBondContact O-N 2.93Å; K244-D246 VanDerWaalsContact C-N 3.32Å; D246-S265 WeakPolarHBondContact O-CA 3.38Å; D246-M266 PolarHBondContact O-N 3.11Å
247	F	88.4	Confident	87.9	Confident	19 Å²	19	67 Å²	67	8%	0.083	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	137.1	-174.2	173.2	-98.4	0	0	0	112.8	L147 Y240 I249 S264 F271	L147-F247 HydrophobicContact CD1-CE2 4.25Å; L147-F247 HydrophobicContact CD1-CZ 4.35Å; Y240-F247 VanDerWaalsContact CB-CE1 3.42Å; Y240-F247 HydrophobicContact CD1-CB 3.43Å; Y240-F247 VanDerWaalsContact CD1-CB 3.43Å; Y240-F247 AromaticContact CD1-CD1 3.55Å; Y240-F247 HydrophobicContact CD1-CD1 3.55Å; Y240-F247 AromaticContact CD1-CD2 3.65Å; Y240-F247 HydrophobicContact CD1-CD2 3.65Å; Y240-F247 HydrophobicContact CD1-CE1 4.18Å; Y240-F247 HydrophobicContact CD1-CE2 4.26Å; Y240-F247 AromaticContact CD1-CG 3.24Å; Y240-F247 HydrophobicContact CD1-CG 3.24Å; Y240-F247 HydrophobicContact CD1-CZ 4.49Å; Y240-F247 AromaticContact CD2-CD2 3.85Å; Y240-F247 HydrophobicContact CD2-CD2 3.85Å; Y240-F247 HydrophobicContact CD2-CE2 4Å; Y240-F247 HydrophobicContact CD2-CG 4.32Å; Y240-F247 HydrophobicContact CE1-CB 3.37Å; Y240-F247 HydrophobicContact CE1-CD1 4.4Å; Y240-F247 HydrophobicContact CE1-CD2 4.07Å; Y240-F247 AromaticContact CE1-CG 3.71Å; Y240-F247 HydrophobicContact CE1-CG 3.71Å; Y240-F247 HydrophobicContact CE2-CD2 4.26Å; Y240-F247 HydrophobicContact CG-CB 4.23Å; Y240-F247 AromaticContact CG-CD1 3.85Å; Y240-F247 HydrophobicContact CG-CD1 3.85Å; Y240-F247 AromaticContact CG-CD2 3.52Å; Y240-F247 HydrophobicContact CG-CD2 3.52Å; Y240-F247 HydrophobicContact CG-CE1 4.02Å; Y240-F247 AromaticContact CG-CE2 3.71Å; Y240-F247 HydrophobicContact CG-CE2 3.71Å; Y240-F247 AromaticContact CG-CG 3.59Å; Y240-F247 HydrophobicContact CG-CG 3.59Å; Y240-F247 AromaticContact CG-CZ 3.95Å; Y240-F247 HydrophobicContact CG-CZ 3.95Å; F247-I249 HydrophobicContact CE1-CB 4.01Å; F247-I249 HydrophobicContact CE1-CG2 3.54Å; F247-I249 HydrophobicContact CE2-CB 4.33Å; F247-I249 HydrophobicContact CZ-CB 3.56Å; F247-I249 HydrophobicContact CZ-CD1 4.41Å; F247-I249 HydrophobicContact CZ-CG2 3.49Å; F247-I249 VanDerWaalsContact CZ-CG2 3.49Å; F247-S264 WeakPolarHBondContact CA-O 3.26Å; F247-S264 VanDerWaalsContact CD2-O 3.32Å; F247-S264 WeakPolarHBondContact CD2-O 3.37Å; F247-F271 HydrophobicContact CE2-CE1 4.44Å; F247-F271 HydrophobicContact CE2-CZ 4.01Å
248	F	90.1	Very high	87.5	Confident	91 Å²	91	68.7 Å²	68.7	40%	0.399	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.2	161.7	73.6	-91.8	0	0	0	110.7	E250 G263 S264	F248-E250 HydrophobicContact CD2-CG 4.16Å; F248-G263 CarbonylContact O-C 3.6Å; F248-G263 WeakPolarHBondContact O-CA 3.36Å; F248-S264 PolarHBondContact N-O 2.95Å; F248-S264 PolarHBondContact O-N 3.07Å
249	I	90.3	Very high	87.3	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	125	170.7	-170.2	166.8	0	0	0	109.2	F238 F247 L261 Q262 F271 I273 W332	F238-I249 HydrophobicContact CB-CD1 3.95Å; F247-I249 HydrophobicContact CE1-CB 4.01Å; F247-I249 HydrophobicContact CE1-CG2 3.54Å; F247-I249 HydrophobicContact CE2-CB 4.33Å; F247-I249 HydrophobicContact CZ-CB 3.56Å; F247-I249 HydrophobicContact CZ-CD1 4.41Å; F247-I249 HydrophobicContact CZ-CG2 3.49Å; F247-I249 VanDerWaalsContact CZ-CG2 3.49Å; I249-L261 HydrophobicContact CD1-CB 4.23Å; I249-L261 HydrophobicContact CD1-CD1 3.64Å; I249-L261 HydrophobicContact CG1-CB 3.97Å; I249-L261 HydrophobicContact CG1-CD1 4.06Å; I249-Q262 CarbonylContact C-O 3.6Å; I249-Q262 WeakPolarHBondContact CA-O 3.46Å; I249-F271 HydrophobicContact CD1-CE2 4.38Å; I249-I273 HydrophobicContact CD1-CD1 4.18Å; I249-W332 PolarHBondContact O-NE1 2.73Å
250	E	91.7	Very high	87.3	Confident	101 Å²	101	71.2 Å²	71.2	47%	0.472	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.7	-171.5	-70.4	-175.7	167.1	0	0	110.9	F248 L261 Q262	F248-E250 HydrophobicContact CD2-CG 4.16Å; E250-L261 CarbonylContact O-C 3.4Å; E250-L261 WeakPolarHBondContact O-CA 3.34Å; E250-Q262 HydrophobicContact CB-CG 4.28Å; E250-Q262 PolarHBondContact N-O 2.78Å; E250-Q262 PolarHBondContact O-N 3.36Å
251	P	93.3	Very high	87.4	Confident	38 Å²	38	71.1 Å²	71.1	25%	0.247	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.7	-179.4	32.5	-33.2	0	0	0	111	I253 I258 L261 W332	P251-I253 HydrophobicContact CB-CG1 4.41Å; P251-I258 HydrophobicContact CB-CD1 4.16Å; P251-I258 HydrophobicContact CB-CG1 4.17Å; P251-I258 HydrophobicContact CB-CG2 4.15Å; P251-L261 HydrophobicContact CB-CD2 4.33Å; P251-W332 HydrophobicContact CB-CH2 3.71Å; P251-W332 HydrophobicContact CB-CZ2 4.05Å; P251-W332 HydrophobicContact CB-CZ3 4.07Å; P251-W332 VanDerWaalsContact CD-CZ2 3.45Å; P251-W332 HydrophobicContact CG-CH2 3.52Å; P251-W332 HydrophobicContact CG-CZ2 3.65Å; P251-W332 HydrophobicContact CG-CZ3 4.37Å
252	V	94.3	Very high	87.7	Confident	47 Å²	47	73 Å²	73	29%	0.285	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.4	167.5	-179.2	0	0	0	0	107.9	I258 T259 G260 Q262	V252-I258 WeakPolarHBondContact O-CA 3.26Å; V252-T259 PolarHBondContact O-N 2.77Å; V252-T259 PolarHBondContact O-OG1 2.75Å; V252-G260 PolarHBondContact N-O 2.81Å; V252-Q262 HydrophobicContact CG2-CB 3.92Å; V252-Q262 HydrophobicContact CG2-CG 4.1Å
253	I	90.9	Very high	88.2	Confident	113 Å²	113	72.5 Å²	72.5	58%	0.579	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.7	-175.6	-56.3	174.8	0	0	0	109.7	P251 K257 I258	P251-I253 HydrophobicContact CB-CG1 4.41Å; I253-K257 CarbonylContact C-O 3.43Å; I253-K257 WeakPolarHBondContact CA-O 3.41Å; I253-I258 HydrophobicContact CG1-CG1 4.44Å
254	S	89.6	Confident	88.9	Confident	57 Å²	57	69 Å²	69	40%	0.399	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.3	171.1	-177.4	0	0	0	0	109.8	K256 K257	S254-K256 VanDerWaalsContact C-N 3.25Å; S254-K256 PolarHBondContact O-N 3.42Å; S254-K257 PolarHBondContact N-O 2.74Å; S254-K257 PolarHBondContact O-N 3.26Å
255	N	86.6	Confident	89.6	Confident	154 Å²	154	65.6 Å²	65.6	82%	0.824	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	42.1	-177.7	-65.2	-29.1	0	0	0	114	K257	N255-K257 PolarHBondContact O-N 2.84Å
256	K	82.6	Confident	89.8	Confident	204 Å²	204	65.4 Å²	65.4	89%	0.887	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	16.7	-176.6	-53.2	179.8	178.8	179	0	114.7	S254	S254-K256 VanDerWaalsContact C-N 3.25Å; S254-K256 PolarHBondContact O-N 3.42Å
257	K	86	Confident	89.9	Confident	112 Å²	112	62.4 Å²	62.4	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.5	175.3	-66.1	-171.1	171	-156.8	0	110.2	I253 S254 N255 T259 E284	I253-K257 CarbonylContact C-O 3.43Å; I253-K257 WeakPolarHBondContact CA-O 3.41Å; S254-K257 PolarHBondContact N-O 2.74Å; S254-K257 PolarHBondContact O-N 3.26Å; N255-K257 PolarHBondContact O-N 2.84Å; K257-T259 PolarHBondContact O-N 2.81Å; K257-E284 IonicContact NZ-OE2 3.57Å; K257-E284 PolarHBondContact NZ-OE2 3.05Å
258	I	90.4	Very high	89.7	Confident	35 Å²	35	61.5 Å²	61.5	18%	0.179	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.6	171.7	-61.1	174.4	0	0	0	107	P251 V252 I253 G260 F275 S286 W332	P251-I258 HydrophobicContact CB-CD1 4.16Å; P251-I258 HydrophobicContact CB-CG1 4.17Å; P251-I258 HydrophobicContact CB-CG2 4.15Å; V252-I258 WeakPolarHBondContact O-CA 3.26Å; I253-I258 HydrophobicContact CG1-CG1 4.44Å; I258-G260 WeakPolarHBondContact CG2-O 3.36Å; I258-F275 HydrophobicContact CG2-CE2 4.43Å; I258-S286 VanDerWaalsContact CD1-OG 3.24Å; I258-S286 WeakPolarHBondContact CD1-OG 3.42Å; I258-W332 HydrophobicContact CD1-CH2 4.42Å; I258-W332 HydrophobicContact CD1-CZ3 3.81Å
259	T	93.3	Very high	89.5	Confident	58 Å²	58	59.1 Å²	59.1	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-11.3	178.4	51.5	0	0	0	0	112.5	V252 K257 F275	V252-T259 PolarHBondContact O-N 2.77Å; V252-T259 PolarHBondContact O-OG1 2.75Å; K257-T259 PolarHBondContact O-N 2.81Å; T259-F275 PolarHBondContact O-N 3.33Å
260	G	95.3	Very high	89.6	Confident	2 Å²	2	63 Å²	63	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-172.5	-173.4	0	0	0	0	0	112.2	V252 I258 I273	V252-G260 PolarHBondContact N-O 2.81Å; I258-G260 WeakPolarHBondContact CG2-O 3.36Å; G260-I273 CarbonylContact C-O 3.53Å; G260-I273 WeakPolarHBondContact CA-O 3.48Å
261	L	95.9	Very high	89.6	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.9	171.6	-50.9	171.7	0	0	0	108.8	F238 I249 E250 P251 I273 F275 W332	F238-L261 HydrophobicContact CB-CD1 4.38Å; F238-L261 HydrophobicContact CD2-CD1 3.82Å; F238-L261 HydrophobicContact CE2-CD1 4.49Å; F238-L261 HydrophobicContact CG-CD1 4.27Å; I249-L261 HydrophobicContact CD1-CB 4.23Å; I249-L261 HydrophobicContact CD1-CD1 3.64Å; I249-L261 HydrophobicContact CG1-CB 3.97Å; I249-L261 HydrophobicContact CG1-CD1 4.06Å; E250-L261 CarbonylContact O-C 3.4Å; E250-L261 WeakPolarHBondContact O-CA 3.34Å; P251-L261 HydrophobicContact CB-CD2 4.33Å; L261-I273 HydrophobicContact CB-CB 4.11Å; L261-I273 HydrophobicContact CB-CD1 4.1Å; L261-I273 HydrophobicContact CD1-CD1 4.14Å; L261-I273 PolarHBondContact N-O 3.2Å; L261-I273 PolarHBondContact O-N 2.83Å; L261-F275 HydrophobicContact CD1-CZ 4.08Å; L261-F275 HydrophobicContact CD2-CE2 4.43Å; L261-F275 HydrophobicContact CG-CE2 4.01Å; L261-F275 HydrophobicContact CG-CZ 3.99Å; L261-W332 HydrophobicContact CD1-CB 3.68Å; L261-W332 HydrophobicContact CD1-CG 4.14Å; L261-W332 HydrophobicContact CD2-CB 4.17Å; L261-W332 HydrophobicContact CD2-CD2 3.81Å; L261-W332 HydrophobicContact CD2-CE3 4.01Å; L261-W332 HydrophobicContact CD2-CG 3.88Å
262	Q	94.8	Very high	89.6	Confident	76 Å²	76	59.5 Å²	59.5	36%	0.355	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.8	165.4	65.5	-179.6	25.3	0	0	107.8	I249 E250 V252	I249-Q262 CarbonylContact C-O 3.6Å; I249-Q262 WeakPolarHBondContact CA-O 3.46Å; E250-Q262 HydrophobicContact CB-CG 4.28Å; E250-Q262 PolarHBondContact N-O 2.78Å; E250-Q262 PolarHBondContact O-N 3.36Å; V252-Q262 HydrophobicContact CG2-CB 3.92Å; V252-Q262 HydrophobicContact CG2-CG 4.1Å
263	G	93.3	Very high	89.6	Confident	3 Å²	3	57.4 Å²	57.4	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	170.2	178.3	0	0	0	0	0	112.6	F248 D270 F271	F248-G263 CarbonylContact O-C 3.6Å; F248-G263 WeakPolarHBondContact O-CA 3.36Å; G263-D270 WeakPolarHBondContact O-CA 3.47Å; G263-F271 VanDerWaalsContact C-CE1 3.45Å; G263-F271 PolarHBondContact N-O 3.27Å; G263-F271 WeakPolarHBondContact O-CD1 3.47Å; G263-F271 PolarHBondContact O-N 3.48Å
264	S	91.2	Very high	89.8	Confident	24 Å²	24	53.4 Å²	53.4	17%	0.168	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147	173.4	-160.7	0	0	0	0	109.6	F247 F248 S269 D270	F247-S264 WeakPolarHBondContact CA-O 3.26Å; F247-S264 VanDerWaalsContact CD2-O 3.32Å; F247-S264 WeakPolarHBondContact CD2-O 3.37Å; F248-S264 PolarHBondContact N-O 2.95Å; F248-S264 PolarHBondContact O-N 3.07Å; S264-S269 WeakPolarHBondContact CA-O 3.38Å; S264-D270 WeakPolarHBondContact CB-OD1 3.13Å; S264-D270 PolarHBondContact OG-OD1 3.39Å
265	S	87.6	Confident	90.1	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.028	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	167.6	67.8	0	0	0	0	109.6	D246 E267 L268 S269	D246-S265 WeakPolarHBondContact O-CA 3.38Å; S265-E267 PolarHBondContact O-N 2.9Å; S265-E267 VanDerWaalsContact O-N 3.11Å; S265-L268 PolarHBondContact O-N 3.3Å; S265-L268 VanDerWaalsContact OG-CB 3.27Å; S265-L268 WeakPolarHBondContact OG-CB 3.27Å; S265-L268 PolarHBondContact OG-N 3.06Å; S265-S269 PolarHBondContact N-O 3.03Å; S265-S269 VanDerWaalsContact O-CA 3.26Å; S265-S269 WeakPolarHBondContact O-CA 3.21Å; S265-S269 PolarHBondContact O-N 3.44Å
266	M	82.3	Confident	90.6	Very high	137 Å²	137	47 Å²	47	68%	0.675	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.4	175.8	-173.8	178	64.7	0	0	113	D246	D246-M266 PolarHBondContact O-N 3.11Å
267	E	80.8	Confident	91.2	Very high	28 Å²	28	38.4 Å²	38.4	13%	0.131	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-34.6	-172	-62.4	158	-174.8	0	0	113.5	H141 S143 N145 S265	H141-E267 IonicContact CD2-OE2 3.91Å; H141-E267 IonicContact CE1-OE2 3.96Å; H141-E267 IonicContact NE2-OE2 3.61Å; H141-E267 PolarHBondContact NE2-OE2 3.46Å; S143-E267 WeakPolarHBondContact CB-OE2 3.37Å; S143-E267 PolarHBondContact OG-OE1 3.06Å; S143-E267 PolarHBondContact OG-OE2 2.83Å; N145-E267 VanDerWaalsContact O-OE2 3.14Å; S265-E267 PolarHBondContact O-N 2.9Å; S265-E267 VanDerWaalsContact O-N 3.11Å
268	L	84.4	Confident	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.3	-179.3	-59.9	169.4	0	0	0	112.4	F127 W128 L147 S265 F271 F352 R354	F127-L268 HydrophobicContact CE1-CD2 3.57Å; F127-L268 HydrophobicContact CZ-CD2 3.8Å; W128-L268 HydrophobicContact CZ2-CD1 4.12Å; W128-L268 HydrophobicContact CZ2-CD2 4.1Å; L147-L268 HydrophobicContact CB-CD1 3.87Å; L147-L268 HydrophobicContact CD2-CD1 3.91Å; S265-L268 PolarHBondContact O-N 3.3Å; S265-L268 VanDerWaalsContact OG-CB 3.27Å; S265-L268 WeakPolarHBondContact OG-CB 3.27Å; S265-L268 PolarHBondContact OG-N 3.06Å; L268-F271 HydrophobicContact CB-CD1 3.9Å; L268-F271 HydrophobicContact CB-CE1 4.48Å; L268-F271 HydrophobicContact CD1-CD1 4.16Å; L268-F271 HydrophobicContact CD1-CE1 4.24Å; L268-F352 HydrophobicContact CD1-CZ 4.07Å; L268-F352 HydrophobicContact CD2-CZ 4.49Å; L268-R354 PolarHBondContact O-NE 2.91Å; L268-R354 PolarHBondContact O-NH2 2.98Å
269	S	85.9	Confident	91.6	Very high	40 Å²	40	37.4 Å²	37.4	28%	0.28	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.4	-153.3	-163	-42	0	0	0	0	109.9	S264 S265 F271 R354	S264-S269 WeakPolarHBondContact CA-O 3.38Å; S265-S269 PolarHBondContact N-O 3.03Å; S265-S269 VanDerWaalsContact O-CA 3.26Å; S265-S269 WeakPolarHBondContact O-CA 3.21Å; S265-S269 PolarHBondContact O-N 3.44Å; S269-F271 WeakPolarHBondContact O-CD1 3.27Å; S269-R354 PolarHBondContact OG-NH2 2.82Å
270	D	90.8	Very high	91.5	Very high	88 Å²	88	40.8 Å²	40.8	47%	0.471	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134.8	175.7	-56.3	-25.8	0	0	0	111.4	G263 S264 S355	G263-D270 WeakPolarHBondContact O-CA 3.47Å; S264-D270 WeakPolarHBondContact CB-OD1 3.13Å; S264-D270 PolarHBondContact OG-OD1 3.39Å; D270-S355 WeakPolarHBondContact CB-OG 3.29Å; D270-S355 PolarHBondContact O-N 3.24Å; D270-S355 PolarHBondContact O-OG 2.84Å
271	F	91.7	Very high	91.4	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.1	178.6	63.1	-96.3	0	0	0	111.4	L147 F247 I249 G263 L268 S269 I273 F352 F353	L147-F271 HydrophobicContact CD2-CE1 4.49Å; L147-F271 HydrophobicContact CD2-CE2 4.03Å; L147-F271 HydrophobicContact CD2-CZ 3.98Å; F247-F271 HydrophobicContact CE2-CE1 4.44Å; F247-F271 HydrophobicContact CE2-CZ 4.01Å; I249-F271 HydrophobicContact CD1-CE2 4.38Å; G263-F271 VanDerWaalsContact C-CE1 3.45Å; G263-F271 PolarHBondContact N-O 3.27Å; G263-F271 WeakPolarHBondContact O-CD1 3.47Å; G263-F271 PolarHBondContact O-N 3.48Å; L268-F271 HydrophobicContact CB-CD1 3.9Å; L268-F271 HydrophobicContact CB-CE1 4.48Å; L268-F271 HydrophobicContact CD1-CD1 4.16Å; L268-F271 HydrophobicContact CD1-CE1 4.24Å; S269-F271 WeakPolarHBondContact O-CD1 3.27Å; F271-I273 HydrophobicContact CD2-CD1 4.22Å; F271-I273 HydrophobicContact CD2-CG1 4.41Å; F271-I273 HydrophobicContact CE2-CD1 3.95Å; F271-F352 HydrophobicContact CB-CE1 4.46Å; F271-F352 HydrophobicContact CB-CE2 3.88Å; F271-F352 HydrophobicContact CB-CZ 3.65Å; F271-F352 HydrophobicContact CD1-CZ 4.48Å; F271-F352 HydrophobicContact CD2-CD2 4.34Å; F271-F352 AromaticContact CD2-CE2 3.53Å; F271-F352 HydrophobicContact CD2-CE2 3.53Å; F271-F352 HydrophobicContact CD2-CZ 4.15Å; F271-F352 HydrophobicContact CE2-CE2 4.22Å; F271-F352 AromaticContact CG-CE2 3.72Å; F271-F352 HydrophobicContact CG-CE2 3.72Å; F271-F352 AromaticContact CG-CZ 3.85Å; F271-F352 HydrophobicContact CG-CZ 3.85Å; F271-F353 CarbonylContact C-O 3.55Å; F271-F353 WeakPolarHBondContact CA-O 3.4Å
272	H	93.8	Very high	91.3	Very high	65 Å²	65	46 Å²	46	30%	0.301	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.2	178.2	-68.8	83.1	0	0	0	109.6	F353 S355	H272-F353 HydrophobicContact CB-CD1 4.42Å; H272-F353 HydrophobicContact CB-CD2 3.78Å; H272-F353 HydrophobicContact CB-CE1 3.95Å; H272-F353 HydrophobicContact CB-CE2 3.25Å; H272-F353 HydrophobicContact CB-CG 4.34Å; H272-F353 HydrophobicContact CB-CZ 3.34Å; H272-F353 AromaticContact CG-CE2 3.8Å; H272-F353 PolarHBondContact N-O 2.95Å; H272-F353 PolarHBondContact O-N 2.84Å; H272-S355 PolarHBondContact CE1-OG 3.31Å; H272-S355 PolarHBondContact ND1-OG 3.03Å
273	I	95	Very high	91.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.9	176.1	-66.6	154.9	0	0	0	107.2	F238 I249 G260 L261 F271 F275 V350 E351 F352	F238-I273 HydrophobicContact CD1-CD1 3.43Å; F238-I273 VanDerWaalsContact CD1-CD1 3.43Å; F238-I273 HydrophobicContact CD1-CG1 4.37Å; F238-I273 HydrophobicContact CD2-CD1 4.09Å; F238-I273 HydrophobicContact CE1-CD1 3.38Å; F238-I273 HydrophobicContact CE1-CG1 3.82Å; F238-I273 HydrophobicContact CE1-CG2 4.26Å; F238-I273 HydrophobicContact CE2-CD1 4.08Å; F238-I273 HydrophobicContact CE2-CG2 3.64Å; F238-I273 HydrophobicContact CG-CD1 3.79Å; F238-I273 HydrophobicContact CZ-CB 4.34Å; F238-I273 HydrophobicContact CZ-CD1 3.72Å; F238-I273 HydrophobicContact CZ-CG1 3.91Å; F238-I273 HydrophobicContact CZ-CG2 3.47Å; F238-I273 VanDerWaalsContact CZ-CG2 3.47Å; I249-I273 HydrophobicContact CD1-CD1 4.18Å; G260-I273 CarbonylContact C-O 3.53Å; G260-I273 WeakPolarHBondContact CA-O 3.48Å; L261-I273 HydrophobicContact CB-CB 4.11Å; L261-I273 HydrophobicContact CB-CD1 4.1Å; L261-I273 HydrophobicContact CD1-CD1 4.14Å; L261-I273 PolarHBondContact N-O 3.2Å; L261-I273 PolarHBondContact O-N 2.83Å; F271-I273 HydrophobicContact CD2-CD1 4.22Å; F271-I273 HydrophobicContact CD2-CG1 4.41Å; F271-I273 HydrophobicContact CE2-CD1 3.95Å; I273-F275 HydrophobicContact CG2-CD1 4.3Å; I273-F275 HydrophobicContact CG2-CE1 3.63Å; I273-F275 HydrophobicContact CG2-CZ 3.83Å; I273-V350 HydrophobicContact CG2-CG1 4.12Å; I273-E351 CarbonylContact C-O 3.53Å; I273-E351 WeakPolarHBondContact CA-O 3.39Å; I273-F352 HydrophobicContact CD1-CD2 4.29Å; I273-F352 HydrophobicContact CG1-CD2 3.74Å; I273-F352 HydrophobicContact CG1-CE2 4.42Å
274	S	95.3	Very high	91.3	Very high	30 Å²	30	45.1 Å²	45.1	21%	0.21	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.7	177.1	-61.9	0	0	0	0	111.1	H276 V350 E351 F353	S274-H276 WeakPolarHBondContact CB-NE2 3.5Å; S274-V350 WeakPolarHBondContact O-CA 3.48Å; S274-E351 PolarHBondContact N-O 3.13Å; S274-E351 PolarHBondContact O-N 2.92Å; S274-F353 WeakPolarHBondContact OG-CE1 3.33Å
275	F	95.9	Very high	91.5	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122	176.3	-56.8	-49.9	0	0	0	110.3	V236 F238 I258 T259 L261 I273 P277 Y334 L348 V350	V236-F275 HydrophobicContact CG2-CD1 4.42Å; V236-F275 HydrophobicContact CG2-CE1 3.94Å; F238-F275 AromaticContact CE2-CE1 3.87Å; F238-F275 HydrophobicContact CE2-CE1 3.87Å; F238-F275 HydrophobicContact CE2-CZ 4.08Å; I258-F275 HydrophobicContact CG2-CE2 4.43Å; T259-F275 PolarHBondContact O-N 3.33Å; L261-F275 HydrophobicContact CD1-CZ 4.08Å; L261-F275 HydrophobicContact CD2-CE2 4.43Å; L261-F275 HydrophobicContact CG-CE2 4.01Å; L261-F275 HydrophobicContact CG-CZ 3.99Å; I273-F275 HydrophobicContact CG2-CD1 4.3Å; I273-F275 HydrophobicContact CG2-CE1 3.63Å; I273-F275 HydrophobicContact CG2-CZ 3.83Å; F275-P277 VanDerWaalsContact C-CD 3.47Å; F275-P277 VanDerWaalsContact O-CD 3.24Å; F275-P277 WeakPolarHBondContact O-CD 3.47Å; F275-Y334 HydrophobicContact CB-CD1 4.42Å; F275-Y334 HydrophobicContact CB-CE1 4.1Å; F275-Y334 HydrophobicContact CB-CE2 4.43Å; F275-Y334 HydrophobicContact CD1-CD1 4.23Å; F275-Y334 HydrophobicContact CD1-CG 4.37Å; F275-Y334 HydrophobicContact CD2-CD1 4.29Å; F275-Y334 AromaticContact CD2-CD2 3.67Å; F275-Y334 HydrophobicContact CD2-CD2 3.67Å; F275-Y334 HydrophobicContact CD2-CE2 4.02Å; F275-Y334 AromaticContact CD2-CG 3.81Å; F275-Y334 HydrophobicContact CD2-CG 3.81Å; F275-Y334 HydrophobicContact CE1-CG 4.46Å; F275-Y334 AromaticContact CE2-CD2 3.95Å; F275-Y334 HydrophobicContact CE2-CD2 3.95Å; F275-Y334 AromaticContact CE2-CG 3.93Å; F275-Y334 HydrophobicContact CE2-CG 3.93Å; F275-Y334 HydrophobicContact CG-CD1 4.06Å; F275-Y334 HydrophobicContact CG-CD2 4.23Å; F275-Y334 HydrophobicContact CG-CE1 4.25Å; F275-Y334 HydrophobicContact CG-CE2 4.4Å; F275-Y334 HydrophobicContact CG-CG 4.06Å; F275-Y334 HydrophobicContact CZ-CG 4.27Å; F275-L348 HydrophobicContact CB-CD1 4.35Å; F275-V350 HydrophobicContact CD1-CG1 4.12Å; F275-V350 HydrophobicContact CD1-CG2 4.24Å; F275-V350 HydrophobicContact CE1-CG1 4.02Å
276	H	95.7	Very high	91.8	Very high	64 Å²	64	45.8 Å²	45.8	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	76.9	178	-55	-90.7	0	0	0	109.9	S274 D349 E351	S274-H276 WeakPolarHBondContact CB-NE2 3.5Å; H276-D349 HydrophobicContact CB-CB 4.14Å; H276-D349 PolarHBondContact N-O 3.29Å; H276-D349 PolarHBondContact O-N 2.74Å; H276-D349 VanDerWaalsContact O-N 3.09Å; H276-E351 IonicContact CD2-OE2 2.56Å; H276-E351 IonicContact CE1-OE2 2.79Å; H276-E351 IonicContact NE2-OE2 3.58Å; H276-E351 PolarHBondContact NE2-OE2 2.59Å
277	P	95.5	Very high	92.4	Very high	23 Å²	23	39.2 Å²	39.2	15%	0.149	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	152.4	178.6	36.7	-40.6	0	0	0	110.6	F275 K281 E284 Y334 T336 I347 L348	F275-P277 VanDerWaalsContact C-CD 3.47Å; F275-P277 VanDerWaalsContact O-CD 3.24Å; F275-P277 WeakPolarHBondContact O-CD 3.47Å; P277-K281 HydrophobicContact CB-CD 3.74Å; P277-K281 HydrophobicContact CG-CD 3.71Å; P277-E284 WeakPolarHBondContact CG-OE1 3.46Å; P277-Y334 WeakPolarHBondContact CG-OH 3.46Å; P277-T336 HydrophobicContact CB-CG2 4.37Å; P277-I347 WeakPolarHBondContact CA-O 3.43Å; P277-L348 HydrophobicContact CB-CD1 4.16Å
278	T	93.9	Very high	93.1	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.08	22%	0.216	C	C	.	.			trans	-52	142.7	178.5	-179.5	0	0	0	0	112.9	H280 K281 T338 P346 I347	T278-H280 PolarHBondContact O-N 3.4Å; T278-H280 PolarHBondContact OG1-N 3.37Å; T278-K281 HydrophobicContact CG2-CB 4.1Å; T278-K281 WeakPolarHBondContact O-CB 3.46Å; T278-K281 WeakPolarHBondContact O-CD 3.37Å; T278-K281 WeakPolarHBondContact O-CG 3.29Å; T278-K281 PolarHBondContact O-N 2.99Å; T278-K281 PolarHBondContact O-NZ 3.49Å; T278-T338 HydrophobicContact CG2-CG2 4.26Å; T278-P346 WeakPolarHBondContact CB-O 3.38Å; T278-I347 PolarHBondContact N-O 3.34Å
279	P	91.8	Very high	93.6	Very high	112 Å²	112	40.1 Å²	40.1	73%	0.727	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-28	172.1	-25	34.6	0	0	0	113.1	K281	P279-K281 VanDerWaalsContact C-N 3.29Å; P279-K281 PolarHBondContact O-N 3.23Å
280	H	90.6	Very high	93.9	Very high	129 Å²	129	42 Å²	42	60%	0.597	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	13	-176.9	-56	-60.7	0	0	0	114.4	T278	T278-H280 PolarHBondContact O-N 3.4Å; T278-H280 PolarHBondContact OG1-N 3.37Å
281	K	93	Very high	94.1	Very high	57 Å²	57	37.8 Å²	37.8	25%	0.248	20%	0.195	C	C	.	.			trans	-60.5	139.3	-179.3	62.8	-163.8	170.2	-79	0	112	P277 T278 P279 E284	P277-K281 HydrophobicContact CB-CD 3.74Å; P277-K281 HydrophobicContact CG-CD 3.71Å; T278-K281 HydrophobicContact CG2-CB 4.1Å; T278-K281 WeakPolarHBondContact O-CB 3.46Å; T278-K281 WeakPolarHBondContact O-CD 3.37Å; T278-K281 WeakPolarHBondContact O-CG 3.29Å; T278-K281 PolarHBondContact O-N 2.99Å; T278-K281 PolarHBondContact O-NZ 3.49Å; P279-K281 VanDerWaalsContact C-N 3.29Å; P279-K281 PolarHBondContact O-N 3.23Å; K281-E284 VanDerWaalsContact CD-CD 3.42Å; K281-E284 HydrophobicContact CD-CG 3.57Å; K281-E284 WeakPolarHBondContact CE-OE1 3.47Å; K281-E284 WeakPolarHBondContact CE-OE2 3.46Å; K281-E284 HydrophobicContact CG-CG 4.38Å
282	L	94	Very high	94.1	Very high	58 Å²	58	41.7 Å²	41.7	30%	0.304	22%	0.22	S	C	.	.	S	Bend	trans	-80.4	-37	176.2	-60.7	179.3	0	0	0	111.2	P231 K311 F313 S337 K339	P231-L282 HydrophobicContact CB-CD1 3.9Å; P231-L282 HydrophobicContact CG-CD1 3.95Å; L282-K311 PolarHBondContact O-NZ 3.23Å; L282-F313 HydrophobicContact CB-CE2 4.12Å; L282-F313 HydrophobicContact CD1-CE2 4.05Å; L282-F313 HydrophobicContact CD1-CZ 3.79Å; L282-S337 WeakPolarHBondContact CB-O 3.46Å; L282-S337 PolarHBondContact N-O 3.18Å; L282-K339 HydrophobicContact CD1-CG 4.28Å
283	Q	93.4	Very high	94	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	162.5	-179.8	75.9	94.2	22.5	0	0	111.4	F313 V315 E335 T336 S337	Q283-F313 HydrophobicContact CG-CD2 3.95Å; Q283-F313 HydrophobicContact CG-CE2 4.33Å; Q283-V315 HydrophobicContact CG-CG1 4.39Å; Q283-E335 PolarHBondContact NE2-OE2 3.08Å; Q283-T336 WeakPolarHBondContact O-CA 3.4Å; Q283-S337 WeakPolarHBondContact CG-OG 3.28Å; Q283-S337 PolarHBondContact NE2-OG 3.25Å; Q283-S337 PolarHBondContact O-N 3.48Å
284	E	94.4	Very high	93.9	Very high	52 Å²	52	45.4 Å²	45.4	24%	0.243	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.6	175	-62	168.4	105.2	0	0	107.6	K257 P277 K281 Y334 E335	K257-E284 IonicContact NZ-OE2 3.57Å; K257-E284 PolarHBondContact NZ-OE2 3.05Å; P277-E284 WeakPolarHBondContact CG-OE1 3.46Å; K281-E284 VanDerWaalsContact CD-CD 3.42Å; K281-E284 HydrophobicContact CD-CG 3.57Å; K281-E284 WeakPolarHBondContact CE-OE1 3.47Å; K281-E284 WeakPolarHBondContact CE-OE2 3.46Å; K281-E284 HydrophobicContact CG-CG 4.38Å; E284-Y334 PolarHBondContact OE1-OH 2.81Å; E284-E335 VanDerWaalsContact CA-O 3.31Å; E284-E335 WeakPolarHBondContact CA-O 3.45Å
285	S	94.9	Very high	93.8	Very high	18 Å²	18	46.8 Å²	46.8	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.1	174.7	87.3	0	0	0	0	110.5	L316 E335	S285-L316 VanDerWaalsContact OG-CB 3.23Å; S285-L316 WeakPolarHBondContact OG-CB 3.34Å; S285-L316 PolarHBondContact OG-N 3.34Å; S285-E335 PolarHBondContact N-O 3.19Å; S285-E335 PolarHBondContact O-N 2.87Å; S285-E335 WeakPolarHBondContact OG-CB 3.39Å; S285-E335 PolarHBondContact OG-OE2 3.13Å
286	S	95.3	Very high	93.7	Very high	23 Å²	23	46.8 Å²	46.8	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.1	178.8	60.3	0	0	0	0	111.2	I258 L316 G318 F333	I258-S286 VanDerWaalsContact CD1-OG 3.24Å; I258-S286 WeakPolarHBondContact CD1-OG 3.42Å; S286-L316 VanDerWaalsContact O-CB 3.28Å; S286-L316 WeakPolarHBondContact O-CB 3.28Å; S286-G318 WeakPolarHBondContact O-CA 3.4Å; S286-G318 PolarHBondContact O-N 3.48Å; S286-F333 CarbonylContact C-O 3.58Å; S286-F333 WeakPolarHBondContact CA-O 3.48Å; S286-F333 VanDerWaalsContact CB-O 3.32Å; S286-F333 WeakPolarHBondContact CB-O 3.43Å
287	L	95.5	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	127.9	173.1	176.6	66.2	0	0	0	109.4	A289 M301 L316 G318 T320 W332 F333	L287-A289 HydrophobicContact CG-CB 4.45Å; L287-M301 HydrophobicContact CD2-CG 4.32Å; L287-L316 HydrophobicContact CB-CB 4.05Å; L287-L316 HydrophobicContact CB-CD1 4.04Å; L287-L316 HydrophobicContact CB-CD2 4.06Å; L287-L316 HydrophobicContact CB-CG 4.28Å; L287-L316 HydrophobicContact CD2-CD2 4.2Å; L287-G318 WeakPolarHBondContact CA-O 3.33Å; L287-T320 HydrophobicContact CD1-CG2 4Å; L287-T320 HydrophobicContact CD2-CG2 4.3Å; L287-T320 HydrophobicContact CG-CG2 4.44Å; L287-W332 CarbonylContact O-C 3.41Å; L287-W332 WeakPolarHBondContact O-CA 3.27Å; L287-F333 HydrophobicContact CB-CB 4.03Å; L287-F333 HydrophobicContact CB-CD2 4.05Å; L287-F333 HydrophobicContact CB-CG 4.34Å; L287-F333 HydrophobicContact CD2-CD2 3.92Å; L287-F333 HydrophobicContact CD2-CE2 4.23Å; L287-F333 HydrophobicContact CD2-CG 4.45Å; L287-F333 HydrophobicContact CG-CD2 4.1Å; L287-F333 PolarHBondContact N-O 3.23Å; L287-F333 PolarHBondContact O-N 3Å
288	M	94.5	Very high	93.7	Very high	46 Å²	46	45.7 Å²	45.7	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.1	166	179.3	174.6	52.5	0	0	108.7	G318 V319 P329 W332	M288-G318 PolarHBondContact N-O 2.96Å; M288-V319 HydrophobicContact CE-CG1 3.93Å; M288-P329 HydrophobicContact CG-CB 3.4Å; M288-P329 HydrophobicContact CG-CG 3.76Å; M288-P329 HydrophobicContact SD-CB 4Å; M288-P329 HydrophobicContact SD-CG 3.65Å; M288-W332 HydrophobicContact CB-CD2 4.36Å; M288-W332 HydrophobicContact CB-CE3 4.48Å; M288-W332 HydrophobicContact CB-CH2 3.95Å; M288-W332 HydrophobicContact CB-CZ2 3.81Å; M288-W332 HydrophobicContact CB-CZ3 4.3Å; M288-W332 HydrophobicContact CG-CH2 4.44Å; M288-W332 HydrophobicContact CG-CZ2 3.81Å; M288-W332 HydrophobicContact SD-CH2 4.29Å; M288-W332 HydrophobicContact SD-CZ2 3.58Å; M288-W332 VanDerWaalsContact SD-CZ2 3.58Å
289	A	93.9	Very high	93.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.4	-175.1	0	0	0	0	0	113	L287 T300 T320 P329 N330 A331 F333	L287-A289 HydrophobicContact CG-CB 4.45Å; A289-T300 HydrophobicContact CB-CG2 3.86Å; A289-T320 HydrophobicContact CB-CG2 3.73Å; A289-P329 WeakPolarHBondContact O-CA 3.39Å; A289-P329 WeakPolarHBondContact O-CB 3.34Å; A289-N330 PolarHBondContact O-N 3.15Å; A289-N330 VanDerWaalsContact O-N 3.16Å; A289-A331 PolarHBondContact N-O 3.28Å; A289-A331 PolarHBondContact O-N 3.43Å; A289-F333 HydrophobicContact CB-CE2 4.17Å
290	Y	93.1	Very high	93.9	Very high	79 Å²	79	47.3 Å²	47.3	31%	0.31	23%	0.231	S	C	.	.			trans	-106.3	123.8	160.1	179.5	-92.4	0	0	0	109	P292 Q327 N330	Y290-P292 HydrophobicContact CE1-CB 4.32Å; Y290-Q327 VanDerWaalsContact CD1-CD 3.41Å; Y290-Q327 HydrophobicContact CD1-CG 4.24Å; Y290-Q327 HydrophobicContact CD2-CG 3.68Å; Y290-Q327 HydrophobicContact CE2-CG 4.33Å; Y290-Q327 VanDerWaalsContact CE2-NE2 3.34Å; Y290-Q327 HydrophobicContact CG-CG 3.63Å; Y290-N330 VanDerWaalsContact CA-OD1 3.3Å; Y290-N330 WeakPolarHBondContact CA-OD1 3.17Å; Y290-N330 HydrophobicContact CD2-CB 4.37Å; Y290-N330 WeakPolarHBondContact CE2-ND2 3.4Å
291	I	94	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.			trans	-107.8	122.4	178.2	-60.6	175.4	0	0	0	107.7	Y239 R293 A296 I297 T300 N330 A331 F333	Y239-I291 HydrophobicContact CD2-CB 3.92Å; Y239-I291 HydrophobicContact CD2-CD1 4.05Å; Y239-I291 HydrophobicContact CD2-CG1 4.44Å; Y239-I291 HydrophobicContact CD2-CG2 4.4Å; Y239-I291 HydrophobicContact CE1-CG2 4.28Å; Y239-I291 HydrophobicContact CE2-CB 3.73Å; Y239-I291 HydrophobicContact CE2-CG2 4.02Å; Y239-I291 HydrophobicContact CG-CD1 4.04Å; I291-R293 WeakPolarHBondContact CG2-O 3.35Å; I291-A296 HydrophobicContact CG2-CB 4.45Å; I291-I297 HydrophobicContact CD1-CB 4.29Å; I291-I297 HydrophobicContact CD1-CG1 3.98Å; I291-I297 HydrophobicContact CD1-CG2 4.2Å; I291-I297 HydrophobicContact CG2-CG1 4.08Å; I291-T300 HydrophobicContact CG1-CG2 3.92Å; I291-N330 PolarHBondContact N-OD1 2.98Å; I291-N330 PolarHBondContact O-ND2 3.09Å; I291-A331 HydrophobicContact CD1-CB 3.33Å; I291-A331 HydrophobicContact CG1-CB 3.74Å; I291-F333 HydrophobicContact CD1-CE2 4.23Å; I291-F333 HydrophobicContact CD1-CZ 3.99Å
292	P	92.2	Very high	94.2	Very high	82 Å²	82	42.7 Å²	42.7	53%	0.532	21%	0.209	S	C	.	.	S	Bend	trans	-73.8	-32.7	-176.3	28.1	-34.4	0	0	0	113.1	Y290 A296	Y290-P292 HydrophobicContact CE1-CB 4.32Å; P292-A296 HydrophobicContact CG-CB 4.06Å
293	R	92.8	Very high	94.3	Very high	99 Å²	99	42 Å²	42	37%	0.374	21%	0.208	S	C	.	.	S	Bend	trans	-154.6	158.6	-177.2	-60.1	-169.8	-46.1	-154.7	-0.6	111.2	I291 D295 A296 W496	I291-R293 WeakPolarHBondContact CG2-O 3.35Å; R293-D295 WeakPolarHBondContact CB-OD1 3.36Å; R293-D295 IonicContact CZ-OD1 3.46Å; R293-D295 IonicContact CZ-OD2 3.71Å; R293-D295 IonicContact NE-OD1 2.76Å; R293-D295 PolarHBondContact NE-OD1 3.11Å; R293-D295 IonicContact NE-OD2 3.64Å; R293-D295 IonicContact NH2-OD1 3.45Å; R293-D295 PolarHBondContact NH2-OD1 2.96Å; R293-D295 IonicContact NH2-OD2 3.55Å; R293-D295 PolarHBondContact NH2-OD2 2.9Å; R293-D295 PolarHBondContact O-N 3.26Å; R293-A296 PolarHBondContact O-N 2.93Å; R293-W496 HydrophobicContact CB-CB 4.5Å; R293-W496 HydrophobicContact CB-CG 4.35Å; R293-W496 HydrophobicContact CG-CG 4.46Å
294	E	92.5	Very high	94.4	Very high	46 Å²	46	41.6 Å²	41.6	22%	0.215	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.7	-178	-60.4	80.8	169.8	0	0	113.8	L148 Y239 A296 I297 W496 E497	L148-E294 HydrophobicContact CD1-CG 4Å; Y239-E294 HydrophobicContact CE1-CB 4.4Å; Y239-E294 HydrophobicContact CE1-CG 4.02Å; E294-A296 VanDerWaalsContact C-N 3.28Å; E294-A296 PolarHBondContact O-N 3.3Å; E294-I297 VanDerWaalsContact O-CD1 3.22Å; E294-I297 WeakPolarHBondContact O-CD1 3.24Å; E294-I297 VanDerWaalsContact O-CG1 3.27Å; E294-I297 WeakPolarHBondContact O-CG1 3.31Å; E294-W496 WeakPolarHBondContact OE2-CB 3.4Å; E294-W496 VanDerWaalsContact OE2-CD1 3.29Å; E294-E497 HydrophobicContact CB-CB 4.07Å
295	D	92	Very high	94.4	Very high	60 Å²	60	40.5 Å²	40.5	32%	0.321	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-75.1	-15.3	-180	64.3	-37.9	0	0	0	113.6	R293	R293-D295 WeakPolarHBondContact CB-OD1 3.36Å; R293-D295 IonicContact CZ-OD1 3.46Å; R293-D295 IonicContact CZ-OD2 3.71Å; R293-D295 IonicContact NE-OD1 2.76Å; R293-D295 PolarHBondContact NE-OD1 3.11Å; R293-D295 IonicContact NE-OD2 3.64Å; R293-D295 IonicContact NH2-OD1 3.45Å; R293-D295 PolarHBondContact NH2-OD1 2.96Å; R293-D295 IonicContact NH2-OD2 3.55Å; R293-D295 PolarHBondContact NH2-OD2 2.9Å; R293-D295 PolarHBondContact O-N 3.26Å
296	A	95.3	Very high	94.3	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-95.1	4	-175.8	0	0	0	0	0	114.4	I291 P292 R293 E294 K298 E299 T300	I291-A296 HydrophobicContact CG2-CB 4.45Å; P292-A296 HydrophobicContact CG-CB 4.06Å; R293-A296 PolarHBondContact O-N 2.93Å; E294-A296 VanDerWaalsContact C-N 3.28Å; E294-A296 PolarHBondContact O-N 3.3Å; A296-K298 PolarHBondContact O-N 2.9Å; A296-E299 PolarHBondContact O-N 3.22Å; A296-T300 VanDerWaalsContact O-CB 3.32Å; A296-T300 WeakPolarHBondContact O-CB 3.41Å; A296-T300 PolarHBondContact O-N 3.28Å; A296-T300 PolarHBondContact O-OG1 3.24Å
297	I	95.9	Very high	94	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-52	-172.7	-63.6	165.5	0	0	0	112	M152 Y237 Y239 I291 E294 T300 M301 F333	M152-I297 HydrophobicContact CE-CG2 3.7Å; Y237-I297 HydrophobicContact CD2-CG2 4.04Å; Y237-I297 HydrophobicContact CE1-CG2 4.36Å; Y237-I297 HydrophobicContact CE2-CD1 3.98Å; Y237-I297 HydrophobicContact CE2-CG2 3.84Å; Y237-I297 HydrophobicContact CG-CG2 4.39Å; Y239-I297 HydrophobicContact CD1-CD1 3.81Å; Y239-I297 HydrophobicContact CD1-CG1 4.03Å; Y239-I297 HydrophobicContact CE1-CD1 4.33Å; Y239-I297 HydrophobicContact CE1-CG1 4.41Å; I291-I297 HydrophobicContact CD1-CB 4.29Å; I291-I297 HydrophobicContact CD1-CG1 3.98Å; I291-I297 HydrophobicContact CD1-CG2 4.2Å; I291-I297 HydrophobicContact CG2-CG1 4.08Å; E294-I297 VanDerWaalsContact O-CD1 3.22Å; E294-I297 WeakPolarHBondContact O-CD1 3.24Å; E294-I297 VanDerWaalsContact O-CG1 3.27Å; E294-I297 WeakPolarHBondContact O-CG1 3.31Å; I297-T300 PolarHBondContact O-N 2.88Å; I297-M301 PolarHBondContact O-N 3.49Å; I297-F333 HydrophobicContact CG2-CE1 4.14Å; I297-F333 HydrophobicContact CG2-CZ 4.09Å
298	K	94.6	Very high	93.7	Very high	63 Å²	63	48.2 Å²	48.2	27%	0.274	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-42.7	-177.4	-172.6	179.9	-177.2	176.9	0	111.8	M152 Y163 H165 A296 M301 F302	M152-K298 HydrophobicContact CE-CB 4.47Å; Y163-K298 WeakPolarHBondContact O-CE 3.21Å; Y163-K298 PolarHBondContact O-NZ 3.39Å; H165-K298 HydrophobicContact CB-CD 4.26Å; A296-K298 PolarHBondContact O-N 2.9Å; K298-M301 PolarHBondContact O-N 3.28Å; K298-F302 HydrophobicContact CD-CE2 4.31Å; K298-F302 HydrophobicContact CD-CZ 4.2Å; K298-F302 VanDerWaalsContact CE-CZ 3.43Å; K298-F302 HydrophobicContact CG-CE1 4.4Å; K298-F302 HydrophobicContact CG-CE2 3.92Å; K298-F302 HydrophobicContact CG-CZ 3.87Å; K298-F302 WeakPolarHBondContact O-CG 3.45Å; K298-F302 PolarHBondContact O-N 3.38Å; K298-F302 VanDerWaalsContact O-N 3.11Å
299	E	94.4	Very high	93.1	Very high	142 Å²	142	56.5 Å²	56.5	66%	0.664	27%	0.267	S	S	*	.	H	α-helix	trans	-62.7	-44.5	176.9	-176.5	177.7	-177.4	0	0	111.3	A296 M301 F302 T303	A296-E299 PolarHBondContact O-N 3.22Å; E299-M301 VanDerWaalsContact C-N 3.34Å; E299-M301 PolarHBondContact O-N 2.68Å; E299-F302 WeakPolarHBondContact O-CB 3.4Å; E299-F302 PolarHBondContact O-N 3.44Å; E299-F302 VanDerWaalsContact O-N 3.14Å; E299-T303 WeakPolarHBondContact O-CG2 3.44Å; E299-T303 PolarHBondContact O-N 3.41Å
300	T	95.5	Very high	92.7	Very high	17 Å²	17	61.4 Å²	61.4	10%	0.104	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-44.4	177.7	-55.6	0	0	0	0	111	A289 I291 A296 I297 F302 T303 T320	A289-T300 HydrophobicContact CB-CG2 3.86Å; I291-T300 HydrophobicContact CG1-CG2 3.92Å; A296-T300 VanDerWaalsContact O-CB 3.32Å; A296-T300 WeakPolarHBondContact O-CB 3.41Å; A296-T300 PolarHBondContact O-N 3.28Å; A296-T300 PolarHBondContact O-OG1 3.24Å; I297-T300 PolarHBondContact O-N 2.88Å; T300-F302 VanDerWaalsContact C-N 3.31Å; T300-F302 PolarHBondContact O-N 2.88Å; T300-T303 PolarHBondContact O-N 2.88Å; T300-T303 VanDerWaalsContact O-N 3.15Å; T300-T303 PolarHBondContact O-OG1 2.88Å; T300-T320 HydrophobicContact CG2-CG2 4.15Å
301	M	95.8	Very high	92.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-42.5	175.5	-174.2	-146.2	66.5	0	0	111.9	M152 Y163 I235 L287 I297 K298 E299 T303 G304 L305 L316 F333	M152-M301 HydrophobicContact SD-CE 4.41Å; M152-M301 HydrophobicContact SD-SD 3.61Å; M152-M301 VanDerWaalsContact SD-SD 3.61Å; Y163-M301 HydrophobicContact CD1-CE 3.87Å; Y163-M301 HydrophobicContact CE1-CE 4.03Å; Y163-M301 HydrophobicContact CG-CE 4.3Å; I235-M301 HydrophobicContact CD1-SD 3.92Å; I235-M301 HydrophobicContact CG2-SD 4.42Å; L287-M301 HydrophobicContact CD2-CG 4.32Å; I297-M301 PolarHBondContact O-N 3.49Å; K298-M301 PolarHBondContact O-N 3.28Å; E299-M301 VanDerWaalsContact C-N 3.34Å; E299-M301 PolarHBondContact O-N 2.68Å; M301-T303 PolarHBondContact O-N 3.04Å; M301-G304 WeakPolarHBondContact O-CA 3.33Å; M301-G304 PolarHBondContact O-N 2.95Å; M301-L305 HydrophobicContact CE-CD1 4.25Å; M301-L305 HydrophobicContact CE-CG 4.46Å; M301-L305 PolarHBondContact O-N 2.93Å; M301-L316 HydrophobicContact CG-CD2 3.89Å; M301-F333 HydrophobicContact CB-CD1 4.17Å; M301-F333 HydrophobicContact CB-CE1 3.67Å; M301-F333 HydrophobicContact CB-CZ 3.91Å; M301-F333 HydrophobicContact CG-CD1 3.81Å; M301-F333 HydrophobicContact CG-CE1 3.84Å; M301-F333 HydrophobicContact CG-CG 4.4Å; M301-F333 HydrophobicContact CG-CZ 4.43Å; M301-F333 HydrophobicContact SD-CD1 4.47Å
302	F	95.4	Very high	91.8	Very high	88 Å²	88	66.5 Å²	66.5	39%	0.386	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-32.8	177.8	-68.8	-26.1	0	0	0	113.3	Y163 K298 E299 T300 G304 L305	Y163-F302 HydrophobicContact CD1-CE1 4.41Å; Y163-F302 AromaticContact CD2-CE1 3.6Å; Y163-F302 HydrophobicContact CD2-CE1 3.6Å; Y163-F302 HydrophobicContact CD2-CZ 4.25Å; Y163-F302 HydrophobicContact CE2-CE1 4.22Å; Y163-F302 AromaticContact CG-CE1 3.71Å; Y163-F302 HydrophobicContact CG-CE1 3.71Å; Y163-F302 HydrophobicContact CG-CZ 4.33Å; K298-F302 HydrophobicContact CD-CE2 4.31Å; K298-F302 HydrophobicContact CD-CZ 4.2Å; K298-F302 VanDerWaalsContact CE-CZ 3.43Å; K298-F302 HydrophobicContact CG-CE1 4.4Å; K298-F302 HydrophobicContact CG-CE2 3.92Å; K298-F302 HydrophobicContact CG-CZ 3.87Å; K298-F302 WeakPolarHBondContact O-CG 3.45Å; K298-F302 PolarHBondContact O-N 3.38Å; K298-F302 VanDerWaalsContact O-N 3.11Å; E299-F302 WeakPolarHBondContact O-CB 3.4Å; E299-F302 PolarHBondContact O-N 3.44Å; E299-F302 VanDerWaalsContact O-N 3.14Å; T300-F302 VanDerWaalsContact C-N 3.31Å; T300-F302 PolarHBondContact O-N 2.88Å; F302-G304 PolarHBondContact O-N 2.9Å; F302-L305 HydrophobicContact CD1-CD1 3.56Å; F302-L305 HydrophobicContact CD1-CG 4.47Å; F302-L305 HydrophobicContact CE1-CD1 4.2Å; F302-L305 HydrophobicContact CG-CD1 4.47Å; F302-L305 PolarHBondContact O-N 2.91Å
303	T	95	Very high	91.8	Very high	44 Å²	44	63.5 Å²	63.5	27%	0.27	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.2	175.6	75	0	0	0	0	113.7	E299 T300 M301 R317 T320 N321	E299-T303 WeakPolarHBondContact O-CG2 3.44Å; E299-T303 PolarHBondContact O-N 3.41Å; T300-T303 PolarHBondContact O-N 2.88Å; T300-T303 VanDerWaalsContact O-N 3.15Å; T300-T303 PolarHBondContact O-OG1 2.88Å; M301-T303 PolarHBondContact O-N 3.04Å; T303-R317 PolarHBondContact O-NH2 3.02Å; T303-R317 VanDerWaalsContact O-NH2 3.17Å; T303-T320 WeakPolarHBondContact OG1-CB 3.4Å; T303-T320 WeakPolarHBondContact OG1-CG2 3.45Å; T303-N321 PolarHBondContact O-N 3.36Å; T303-N321 PolarHBondContact O-ND2 3.09Å; T303-N321 PolarHBondContact O-OD1 3.41Å
304	G	94.8	Very high	91.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1.9	177	0	0	0	0	0	114.7	M301 F302 R317	M301-G304 WeakPolarHBondContact O-CA 3.33Å; M301-G304 PolarHBondContact O-N 2.95Å; F302-G304 PolarHBondContact O-N 2.9Å; G304-R317 WeakPolarHBondContact O-CB 3.48Å; G304-R317 PolarHBondContact O-N 3.08Å
305	L	94.5	Very high	91.8	Very high	28 Å²	28	58.7 Å²	58.7	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145	178.7	-72.6	179.1	0	0	0	112.3	Y163 M301 F302 V315 L316 R317	Y163-L305 HydrophobicContact CE1-CD2 4.4Å; Y163-L305 HydrophobicContact CE2-CD1 3.73Å; Y163-L305 VanDerWaalsContact OH-CD2 3.28Å; Y163-L305 WeakPolarHBondContact OH-CD2 2.99Å; M301-L305 HydrophobicContact CE-CD1 4.25Å; M301-L305 HydrophobicContact CE-CG 4.46Å; M301-L305 PolarHBondContact O-N 2.93Å; F302-L305 HydrophobicContact CD1-CD1 3.56Å; F302-L305 HydrophobicContact CD1-CG 4.47Å; F302-L305 HydrophobicContact CE1-CD1 4.2Å; F302-L305 HydrophobicContact CG-CD1 4.47Å; F302-L305 PolarHBondContact O-N 2.91Å; L305-V315 CarbonylContact C-O 3.59Å; L305-V315 WeakPolarHBondContact CA-O 3.49Å; L305-L316 HydrophobicContact CD2-CD2 3.94Å; L305-R317 VanDerWaalsContact C-NE 3.33Å; L305-R317 PolarHBondContact O-NE 2.76Å; L305-R317 PolarHBondContact O-NH2 3.45Å
306	G	92.6	Very high	92	Very high	12 Å²	12	56.3 Å²	56.3	12%	0.124	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	175.4	172.6	0	0	0	0	0	111.8	L314 V315	G306-L314 WeakPolarHBondContact O-CA 3.44Å; G306-V315 PolarHBondContact N-O 3.35Å; G306-V315 PolarHBondContact O-N 3.11Å
307	V	90.3	Very high	91.8	Very high	97 Å²	97	61.5 Å²	61.5	59%	0.588	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.3	-178.6	-178.9	0	0	0	0	110.3	R309 F313 L314	V307-R309 HydrophobicContact CG1-CG 4.45Å; V307-R309 PolarHBondContact O-N 3.49Å; V307-F313 WeakPolarHBondContact CA-O 3.36Å; V307-L314 HydrophobicContact CG2-CD2 3.83Å
308	R	88.2	Confident	91.6	Very high	95 Å²	95	62.7 Å²	62.7	36%	0.358	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	96.2	169.8	-146.6	-160.5	155.2	130.2	-1	109.1	D310 K311 N312 F313 V315	R308-D310 VanDerWaalsContact C-N 3.29Å; R308-D310 WeakPolarHBondContact CD-OD1 3.22Å; R308-D310 WeakPolarHBondContact CG-OD1 3.27Å; R308-D310 IonicContact CZ-OD2 3.01Å; R308-D310 IonicContact NE-OD1 3.54Å; R308-D310 PolarHBondContact NE-OD1 3.48Å; R308-D310 IonicContact NE-OD2 3.78Å; R308-D310 PolarHBondContact NE-OD2 2.96Å; R308-D310 IonicContact NH2-OD2 3.78Å; R308-D310 PolarHBondContact NH2-OD2 2.93Å; R308-D310 PolarHBondContact O-N 3.05Å; R308-K311 PolarHBondContact O-N 3.22Å; R308-N312 WeakPolarHBondContact O-CA 3.48Å; R308-N312 PolarHBondContact O-N 3.48Å; R308-F313 HydrophobicContact CB-CB 4.45Å; R308-F313 PolarHBondContact N-O 3.42Å; R308-F313 PolarHBondContact O-N 3.26Å; R308-V315 HydrophobicContact CB-CG1 4.08Å; R308-V315 HydrophobicContact CB-CG2 3.85Å; R308-V315 HydrophobicContact CG-CG2 4.37Å
309	R	83.5	Confident	91.3	Very high	220 Å²	220	62.4 Å²	62.4	83%	0.83	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.5	-169.8	-66.1	-175.9	-177.9	172.4	0.4	114.9	V307 K311 N312	V307-R309 HydrophobicContact CG1-CG 4.45Å; V307-R309 PolarHBondContact O-N 3.49Å; R309-K311 PolarHBondContact O-N 3.28Å; R309-N312 PolarHBondContact O-OD1 2.66Å
310	D	85.2	Confident	91	Very high	104 Å²	104	56.3 Å²	56.3	56%	0.556	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.6	177.6	61.5	-28.5	0	0	0	112.5	R308	R308-D310 VanDerWaalsContact C-N 3.29Å; R308-D310 WeakPolarHBondContact CD-OD1 3.22Å; R308-D310 WeakPolarHBondContact CG-OD1 3.27Å; R308-D310 IonicContact CZ-OD2 3.01Å; R308-D310 IonicContact NE-OD1 3.54Å; R308-D310 PolarHBondContact NE-OD1 3.48Å; R308-D310 IonicContact NE-OD2 3.78Å; R308-D310 PolarHBondContact NE-OD2 2.96Å; R308-D310 IonicContact NH2-OD2 3.78Å; R308-D310 PolarHBondContact NH2-OD2 2.93Å; R308-D310 PolarHBondContact O-N 3.05Å
311	K	82.4	Confident	90.4	Very high	81 Å²	81	60.3 Å²	60.3	35%	0.352	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-5.8	-177.8	-59.2	-170.8	-176.3	-162.9	0	114	L282 R308 R309 F313	L282-K311 PolarHBondContact O-NZ 3.23Å; R308-K311 PolarHBondContact O-N 3.22Å; R309-K311 PolarHBondContact O-N 3.28Å; K311-F313 HydrophobicContact CB-CB 4.44Å; K311-F313 HydrophobicContact CB-CD1 3.79Å; K311-F313 HydrophobicContact CB-CD2 4.28Å; K311-F313 HydrophobicContact CB-CE1 4.02Å; K311-F313 HydrophobicContact CB-CE2 4.49Å; K311-F313 HydrophobicContact CB-CG 3.9Å; K311-F313 HydrophobicContact CB-CZ 4.35Å; K311-F313 HydrophobicContact CD-CE2 4.38Å; K311-F313 WeakPolarHBondContact O-CD1 3.36Å; K311-F313 WeakPolarHBondContact O-CE1 3.46Å; K311-F313 PolarHBondContact O-N 3.32Å
312	N	85.5	Confident	89.7	Confident	105 Å²	105	67.2 Å²	67.2	56%	0.561	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	39.2	-167.7	-65.9	-28.3	0	0	0	112.9	R308 R309	R308-N312 WeakPolarHBondContact O-CA 3.48Å; R308-N312 PolarHBondContact O-N 3.48Å; R309-N312 PolarHBondContact O-OD1 2.66Å
313	F	90.8	Very high	89.1	Confident	18 Å²	18	66.2 Å²	66.2	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142.5	177.8	-74	10.5	0	0	0	110.9	Q156 P231 L282 Q283 V307 R308 K311 V315	Q156-F313 HydrophobicContact CB-CD1 4.12Å; Q156-F313 HydrophobicContact CB-CE1 4.13Å; Q156-F313 HydrophobicContact CG-CD1 4.21Å; Q156-F313 HydrophobicContact CG-CD2 4.22Å; Q156-F313 HydrophobicContact CG-CE1 4.42Å; Q156-F313 HydrophobicContact CG-CE2 4.43Å; Q156-F313 HydrophobicContact CG-CG 4.14Å; P231-F313 HydrophobicContact CB-CE2 4.47Å; P231-F313 HydrophobicContact CB-CZ 3.89Å; P231-F313 HydrophobicContact CG-CE1 4.11Å; P231-F313 HydrophobicContact CG-CZ 3.74Å; L282-F313 HydrophobicContact CB-CE2 4.12Å; L282-F313 HydrophobicContact CD1-CE2 4.05Å; L282-F313 HydrophobicContact CD1-CZ 3.79Å; Q283-F313 HydrophobicContact CG-CD2 3.95Å; Q283-F313 HydrophobicContact CG-CE2 4.33Å; V307-F313 WeakPolarHBondContact CA-O 3.36Å; R308-F313 HydrophobicContact CB-CB 4.45Å; R308-F313 PolarHBondContact N-O 3.42Å; R308-F313 PolarHBondContact O-N 3.26Å; K311-F313 HydrophobicContact CB-CB 4.44Å; K311-F313 HydrophobicContact CB-CD1 3.79Å; K311-F313 HydrophobicContact CB-CD2 4.28Å; K311-F313 HydrophobicContact CB-CE1 4.02Å; K311-F313 HydrophobicContact CB-CE2 4.49Å; K311-F313 HydrophobicContact CB-CG 3.9Å; K311-F313 HydrophobicContact CB-CZ 4.35Å; K311-F313 HydrophobicContact CD-CE2 4.38Å; K311-F313 WeakPolarHBondContact O-CD1 3.36Å; K311-F313 WeakPolarHBondContact O-CE1 3.46Å; K311-F313 PolarHBondContact O-N 3.32Å; F313-V315 HydrophobicContact CB-CG1 3.79Å
314	L	91.9	Very high	88.6	Confident	32 Å²	32	67.7 Å²	67.7	17%	0.168	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.1	158.8	-75	176.5	0	0	0	108.4	Q156 F161 Y163 G306 V307	Q156-L314 PolarHBondContact NE2-O 2.92Å; F161-L314 HydrophobicContact CB-CD1 3.65Å; F161-L314 HydrophobicContact CD1-CB 4.38Å; F161-L314 HydrophobicContact CD1-CD1 3.53Å; F161-L314 HydrophobicContact CD1-CG 4.07Å; F161-L314 HydrophobicContact CD2-CD1 3.61Å; F161-L314 HydrophobicContact CD2-CG 4.25Å; F161-L314 HydrophobicContact CE1-CB 4.25Å; F161-L314 HydrophobicContact CE1-CD1 3.98Å; F161-L314 HydrophobicContact CE1-CG 3.99Å; F161-L314 HydrophobicContact CE2-CD1 4.04Å; F161-L314 HydrophobicContact CE2-CG 4.17Å; F161-L314 HydrophobicContact CG-CD1 3.31Å; F161-L314 HydrophobicContact CG-CG 4.18Å; F161-L314 HydrophobicContact CZ-CD1 4.22Å; F161-L314 HydrophobicContact CZ-CG 4.05Å; Y163-L314 HydrophobicContact CE2-CD1 4.34Å; Y163-L314 WeakPolarHBondContact OH-CB 3.19Å; G306-L314 WeakPolarHBondContact O-CA 3.44Å; V307-L314 HydrophobicContact CG2-CD2 3.83Å
315	V	94.7	Very high	88	Confident	13 Å²	13	76.4 Å²	76.4	8%	0.079	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	165.5	-176.4	-57.6	0	0	0	0	111	Q283 L305 G306 R308 F313 E335	Q283-V315 HydrophobicContact CG-CG1 4.39Å; L305-V315 CarbonylContact C-O 3.59Å; L305-V315 WeakPolarHBondContact CA-O 3.49Å; G306-V315 PolarHBondContact N-O 3.35Å; G306-V315 PolarHBondContact O-N 3.11Å; R308-V315 HydrophobicContact CB-CG1 4.08Å; R308-V315 HydrophobicContact CB-CG2 3.85Å; R308-V315 HydrophobicContact CG-CG2 4.37Å; F313-V315 HydrophobicContact CB-CG1 3.79Å; V315-E335 VanDerWaalsContact CA-OE2 3.31Å; V315-E335 WeakPolarHBondContact CA-OE2 3.38Å
316	L	95.3	Very high	87.5	Confident	9 Å²	9	82 Å²	82	5%	0.047	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.9	174.2	-54.9	169.5	0	0	0	111.7	I235 S285 S286 L287 M301 L305 F333 E335	I235-L316 HydrophobicContact CG2-CD1 4.39Å; S285-L316 VanDerWaalsContact OG-CB 3.23Å; S285-L316 WeakPolarHBondContact OG-CB 3.34Å; S285-L316 PolarHBondContact OG-N 3.34Å; S286-L316 VanDerWaalsContact O-CB 3.28Å; S286-L316 WeakPolarHBondContact O-CB 3.28Å; L287-L316 HydrophobicContact CB-CB 4.05Å; L287-L316 HydrophobicContact CB-CD1 4.04Å; L287-L316 HydrophobicContact CB-CD2 4.06Å; L287-L316 HydrophobicContact CB-CG 4.28Å; L287-L316 HydrophobicContact CD2-CD2 4.2Å; M301-L316 HydrophobicContact CG-CD2 3.89Å; L305-L316 HydrophobicContact CD2-CD2 3.94Å; L316-F333 HydrophobicContact CD1-CB 3.78Å; L316-E335 HydrophobicContact CD1-CB 3.82Å; L316-E335 HydrophobicContact CG-CB 4.31Å; L316-E335 PolarHBondContact N-OE2 3Å
317	R	91.9	Very high	87.2	Confident	123 Å²	123	84.1 Å²	84.1	46%	0.464	41%	0.412	S	S	.	.			trans	-93.7	7.9	-175	-74.7	-172.8	-79.2	147	3	115.7	T303 G304 L305 V319 N321	T303-R317 PolarHBondContact O-NH2 3.02Å; T303-R317 VanDerWaalsContact O-NH2 3.17Å; G304-R317 WeakPolarHBondContact O-CB 3.48Å; G304-R317 PolarHBondContact O-N 3.08Å; L305-R317 VanDerWaalsContact C-NE 3.33Å; L305-R317 PolarHBondContact O-NE 2.76Å; L305-R317 PolarHBondContact O-NH2 3.45Å; R317-V319 VanDerWaalsContact C-N 3.31Å; R317-V319 PolarHBondContact O-N 3.35Å; R317-N321 PolarHBondContact NH1-OD1 3.35Å; R317-N321 PolarHBondContact NH2-OD1 2.83Å
318	G	90.5	Very high	87	Confident	26 Å²	26	82.4 Å²	82.4	27%	0.268	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89.8	-44.2	-177	0	0	0	0	0	114	S286 L287 M288	S286-G318 WeakPolarHBondContact O-CA 3.4Å; S286-G318 PolarHBondContact O-N 3.48Å; L287-G318 WeakPolarHBondContact CA-O 3.33Å; M288-G318 PolarHBondContact N-O 2.96Å
319	V	89.5	Confident	87.1	Confident	56 Å²	56	79.7 Å²	79.7	34%	0.339	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.8	176.5	-65.4	0	0	0	0	111.7	M288 R317 H323	M288-V319 HydrophobicContact CE-CG1 3.93Å; R317-V319 VanDerWaalsContact C-N 3.31Å; R317-V319 PolarHBondContact O-N 3.35Å; V319-H323 HydrophobicContact CB-CB 4.05Å; V319-H323 HydrophobicContact CG2-CB 4.4Å
320	T	87.6	Confident	87.6	Confident	15 Å²	15	69.6 Å²	69.6	9%	0.092	36%	0.36	C	S	.	.			trans	-73.8	158.1	175.5	58.3	0	0	0	0	111.6	L287 A289 T300 T303 N322 H323	L287-T320 HydrophobicContact CD1-CG2 4Å; L287-T320 HydrophobicContact CD2-CG2 4.3Å; L287-T320 HydrophobicContact CG-CG2 4.44Å; A289-T320 HydrophobicContact CB-CG2 3.73Å; T300-T320 HydrophobicContact CG2-CG2 4.15Å; T303-T320 WeakPolarHBondContact OG1-CB 3.4Å; T303-T320 WeakPolarHBondContact OG1-CG2 3.45Å; T320-N322 PolarHBondContact O-N 3.21Å; T320-H323 WeakPolarHBondContact O-CB 3.39Å; T320-H323 PolarHBondContact O-N 3.48Å
321	N	83.3	Confident	88	Confident	100 Å²	100	64.7 Å²	64.7	54%	0.535	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.3	176.8	-76.1	-20.2	0	0	0	113.6	T303 R317	T303-N321 PolarHBondContact O-N 3.36Å; T303-N321 PolarHBondContact O-ND2 3.09Å; T303-N321 PolarHBondContact O-OD1 3.41Å; R317-N321 PolarHBondContact NH1-OD1 3.35Å; R317-N321 PolarHBondContact NH2-OD1 2.83Å
322	N	80	Confident	88.7	Confident	145 Å²	145	61.7 Å²	61.7	78%	0.775	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	30.7	-177.2	-61.2	-15.1	0	0	0	111.5	T320 D324	T320-N322 PolarHBondContact O-N 3.21Å; N322-D324 PolarHBondContact O-N 3.05Å; N322-D324 VanDerWaalsContact O-N 3.07Å
323	H	82.8	Confident	89.2	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.315	29%	0.293	S	S	.	.			trans	-63.4	112	-177.3	178.4	58.7	0	0	0	111.2	V319 T320	V319-H323 HydrophobicContact CB-CB 4.05Å; V319-H323 HydrophobicContact CG2-CB 4.4Å; T320-H323 WeakPolarHBondContact O-CB 3.39Å; T320-H323 PolarHBondContact O-N 3.48Å
324	D	85	Confident	89.6	Confident	75 Å²	75	56.2 Å²	56.2	40%	0.401	29%	0.291	S	S	.	.			trans	-87.8	119.6	168.6	179.9	5.6	0	0	0	109.4	N322 N326 Q327	N322-D324 PolarHBondContact O-N 3.05Å; N322-D324 VanDerWaalsContact O-N 3.07Å; D324-N326 PolarHBondContact O-N 3.38Å; D324-N326 WeakPolarHBondContact OD1-CB 3.22Å; D324-N326 PolarHBondContact OD1-N 3.31Å; D324-Q327 HydrophobicContact CB-CB 3.95Å; D324-Q327 PolarHBondContact O-N 3.25Å; D324-Q327 VanDerWaalsContact O-N 3.15Å
325	K	81.9	Confident	89.8	Confident	183 Å²	183	54.7 Å²	54.7	80%	0.796	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23	178.7	-68	-176.8	178.7	-179.2	0	113.1	Q327	K325-Q327 VanDerWaalsContact C-N 3.33Å
326	N	84.8	Confident	89.9	Confident	146 Å²	146	54 Å²	54	78%	0.781	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.1	179.1	-61.1	-32.8	0	0	0	112.3	D324 P328	D324-N326 PolarHBondContact O-N 3.38Å; D324-N326 WeakPolarHBondContact OD1-CB 3.22Å; D324-N326 PolarHBondContact OD1-N 3.31Å; N326-P328 WeakPolarHBondContact O-CD 3.3Å
327	Q	85.5	Confident	89.9	Confident	55 Å²	55	53.6 Å²	53.6	26%	0.257	28%	0.277	S	S	.	.	S	Bend	trans	-97.6	109.8	178.1	176.3	151.8	47	0	0	109.5	K244 Y290 D324 K325	K244-Q327 VanDerWaalsContact NZ-NE2 3.16Å; Y290-Q327 VanDerWaalsContact CD1-CD 3.41Å; Y290-Q327 HydrophobicContact CD1-CG 4.24Å; Y290-Q327 HydrophobicContact CD2-CG 3.68Å; Y290-Q327 HydrophobicContact CE2-CG 4.33Å; Y290-Q327 VanDerWaalsContact CE2-NE2 3.34Å; Y290-Q327 HydrophobicContact CG-CG 3.63Å; D324-Q327 HydrophobicContact CB-CB 3.95Å; D324-Q327 PolarHBondContact O-N 3.25Å; D324-Q327 VanDerWaalsContact O-N 3.15Å; K325-Q327 VanDerWaalsContact C-N 3.33Å
328	P	86.5	Confident	90	Very high	62 Å²	62	48.1 Å²	48.1	40%	0.403	26%	0.257	S	S	.	.			trans	-62.5	141.1	176.8	26.7	-34.3	0	0	0	109.8	K244 N326	K244-P328 HydrophobicContact CB-CG 4.08Å; K244-P328 HydrophobicContact CD-CG 3.6Å; K244-P328 HydrophobicContact CG-CG 3.92Å; N326-P328 WeakPolarHBondContact O-CD 3.3Å
329	P	90.7	Very high	90.1	Very high	37 Å²	37	52.1 Å²	52.1	24%	0.24	27%	0.267	C	S	.	.			trans	-67.3	144.4	177.9	32.5	-38.2	0	0	0	110	M288 A289	M288-P329 HydrophobicContact CG-CB 3.4Å; M288-P329 HydrophobicContact CG-CG 3.76Å; M288-P329 HydrophobicContact SD-CB 4Å; M288-P329 HydrophobicContact SD-CG 3.65Å; A289-P329 WeakPolarHBondContact O-CA 3.39Å; A289-P329 WeakPolarHBondContact O-CB 3.34Å
330	N	93.2	Very high	90	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.048	25%	0.252	C	S	.	.			trans	-118.5	5.8	169.8	67.2	-6.4	0	0	0	111.8	Y239 Y240 A289 Y290 I291	Y239-N330 WeakPolarHBondContact CA-O 3.32Å; Y240-N330 PolarHBondContact N-O 3.31Å; Y240-N330 WeakPolarHBondContact O-CB 3.38Å; Y240-N330 PolarHBondContact O-ND2 2.97Å; A289-N330 PolarHBondContact O-N 3.15Å; A289-N330 VanDerWaalsContact O-N 3.16Å; Y290-N330 VanDerWaalsContact CA-OD1 3.3Å; Y290-N330 WeakPolarHBondContact CA-OD1 3.17Å; Y290-N330 HydrophobicContact CD2-CB 4.37Å; Y290-N330 WeakPolarHBondContact CE2-ND2 3.4Å; I291-N330 PolarHBondContact N-OD1 2.98Å; I291-N330 PolarHBondContact O-ND2 3.09Å
331	A	94.9	Very high	89.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146	178.5	0	0	0	0	0	113.2	F238 Y239 A289 I291 F333	F238-A331 CarbonylContact O-C 3.5Å; F238-A331 WeakPolarHBondContact O-CA 3.5Å; Y239-A331 HydrophobicContact CD2-CB 4.15Å; A289-A331 PolarHBondContact N-O 3.28Å; A289-A331 PolarHBondContact O-N 3.43Å; I291-A331 HydrophobicContact CD1-CB 3.33Å; I291-A331 HydrophobicContact CG1-CB 3.74Å; A331-F333 HydrophobicContact CB-CE2 4.28Å
332	W	96	Very high	89.6	Confident	18 Å²	18	52.5 Å²	52.5	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	173.4	-86.8	83.5	0	0	0	110.4	Y237 F238 I249 P251 I258 L261 L287 M288	Y237-W332 CarbonylContact C-O 3.59Å; Y237-W332 WeakPolarHBondContact CA-O 3.31Å; Y237-W332 WeakPolarHBondContact CB-O 3.29Å; F238-W332 PolarHBondContact N-O 3.07Å; F238-W332 PolarHBondContact O-N 3.06Å; I249-W332 PolarHBondContact O-NE1 2.73Å; P251-W332 HydrophobicContact CB-CH2 3.71Å; P251-W332 HydrophobicContact CB-CZ2 4.05Å; P251-W332 HydrophobicContact CB-CZ3 4.07Å; P251-W332 VanDerWaalsContact CD-CZ2 3.45Å; P251-W332 HydrophobicContact CG-CH2 3.52Å; P251-W332 HydrophobicContact CG-CZ2 3.65Å; P251-W332 HydrophobicContact CG-CZ3 4.37Å; I258-W332 HydrophobicContact CD1-CH2 4.42Å; I258-W332 HydrophobicContact CD1-CZ3 3.81Å; L261-W332 HydrophobicContact CD1-CB 3.68Å; L261-W332 HydrophobicContact CD1-CG 4.14Å; L261-W332 HydrophobicContact CD2-CB 4.17Å; L261-W332 HydrophobicContact CD2-CD2 3.81Å; L261-W332 HydrophobicContact CD2-CE3 4.01Å; L261-W332 HydrophobicContact CD2-CG 3.88Å; L287-W332 CarbonylContact O-C 3.41Å; L287-W332 WeakPolarHBondContact O-CA 3.27Å; M288-W332 HydrophobicContact CB-CD2 4.36Å; M288-W332 HydrophobicContact CB-CE3 4.48Å; M288-W332 HydrophobicContact CB-CH2 3.95Å; M288-W332 HydrophobicContact CB-CZ2 3.81Å; M288-W332 HydrophobicContact CB-CZ3 4.3Å; M288-W332 HydrophobicContact CG-CH2 4.44Å; M288-W332 HydrophobicContact CG-CZ2 3.81Å; M288-W332 HydrophobicContact SD-CH2 4.29Å; M288-W332 HydrophobicContact SD-CZ2 3.58Å; M288-W332 VanDerWaalsContact SD-CZ2 3.58Å
333	F	97.5	Very high	89.8	Confident	1 Å²	1	52 Å²	52	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.8	171.7	-54.5	-109	0	0	0	109.1	M152 I235 V236 Y237 S286 L287 A289 I291 I297 M301 L316 A331	M152-F333 HydrophobicContact CE-CE1 4.06Å; I235-F333 HydrophobicContact CG2-CB 4.19Å; I235-F333 HydrophobicContact CG2-CD1 4.12Å; V236-F333 CarbonylContact O-C 3.36Å; V236-F333 VanDerWaalsContact O-CA 3.3Å; V236-F333 WeakPolarHBondContact O-CA 3.26Å; Y237-F333 VanDerWaalsContact CB-CD1 3.4Å; Y237-F333 HydrophobicContact CD1-CE1 4.3Å; Y237-F333 HydrophobicContact CG-CD1 4.21Å; Y237-F333 AromaticContact CG-CE1 3.96Å; Y237-F333 HydrophobicContact CG-CE1 3.96Å; S286-F333 CarbonylContact C-O 3.58Å; S286-F333 WeakPolarHBondContact CA-O 3.48Å; S286-F333 VanDerWaalsContact CB-O 3.32Å; S286-F333 WeakPolarHBondContact CB-O 3.43Å; L287-F333 HydrophobicContact CB-CB 4.03Å; L287-F333 HydrophobicContact CB-CD2 4.05Å; L287-F333 HydrophobicContact CB-CG 4.34Å; L287-F333 HydrophobicContact CD2-CD2 3.92Å; L287-F333 HydrophobicContact CD2-CE2 4.23Å; L287-F333 HydrophobicContact CD2-CG 4.45Å; L287-F333 HydrophobicContact CG-CD2 4.1Å; L287-F333 PolarHBondContact N-O 3.23Å; L287-F333 PolarHBondContact O-N 3Å; A289-F333 HydrophobicContact CB-CE2 4.17Å; I291-F333 HydrophobicContact CD1-CE2 4.23Å; I291-F333 HydrophobicContact CD1-CZ 3.99Å; I297-F333 HydrophobicContact CG2-CE1 4.14Å; I297-F333 HydrophobicContact CG2-CZ 4.09Å; M301-F333 HydrophobicContact CB-CD1 4.17Å; M301-F333 HydrophobicContact CB-CE1 3.67Å; M301-F333 HydrophobicContact CB-CZ 3.91Å; M301-F333 HydrophobicContact CG-CD1 3.81Å; M301-F333 HydrophobicContact CG-CE1 3.84Å; M301-F333 HydrophobicContact CG-CG 4.4Å; M301-F333 HydrophobicContact CG-CZ 4.43Å; M301-F333 HydrophobicContact SD-CD1 4.47Å; L316-F333 HydrophobicContact CD1-CB 3.78Å; A331-F333 HydrophobicContact CB-CE2 4.28Å
334	Y	97.6	Very high	89.8	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128	175.2	176.7	-92.3	0	0	0	108.8	I235 V236 F275 P277 E284 L348	I235-Y334 CarbonylContact C-O 2.87Å; I235-Y334 VanDerWaalsContact CA-O 3.29Å; I235-Y334 WeakPolarHBondContact CA-O 3.47Å; V236-Y334 HydrophobicContact CG2-CD1 4.2Å; V236-Y334 PolarHBondContact N-O 3.05Å; V236-Y334 PolarHBondContact O-N 3.16Å; F275-Y334 HydrophobicContact CB-CD1 4.42Å; F275-Y334 HydrophobicContact CB-CE1 4.1Å; F275-Y334 HydrophobicContact CB-CE2 4.43Å; F275-Y334 HydrophobicContact CD1-CD1 4.23Å; F275-Y334 HydrophobicContact CD1-CG 4.37Å; F275-Y334 HydrophobicContact CD2-CD1 4.29Å; F275-Y334 AromaticContact CD2-CD2 3.67Å; F275-Y334 HydrophobicContact CD2-CD2 3.67Å; F275-Y334 HydrophobicContact CD2-CE2 4.02Å; F275-Y334 AromaticContact CD2-CG 3.81Å; F275-Y334 HydrophobicContact CD2-CG 3.81Å; F275-Y334 HydrophobicContact CE1-CG 4.46Å; F275-Y334 AromaticContact CE2-CD2 3.95Å; F275-Y334 HydrophobicContact CE2-CD2 3.95Å; F275-Y334 AromaticContact CE2-CG 3.93Å; F275-Y334 HydrophobicContact CE2-CG 3.93Å; F275-Y334 HydrophobicContact CG-CD1 4.06Å; F275-Y334 HydrophobicContact CG-CD2 4.23Å; F275-Y334 HydrophobicContact CG-CE1 4.25Å; F275-Y334 HydrophobicContact CG-CE2 4.4Å; F275-Y334 HydrophobicContact CG-CG 4.06Å; F275-Y334 HydrophobicContact CZ-CG 4.27Å; P277-Y334 WeakPolarHBondContact CG-OH 3.46Å; E284-Y334 PolarHBondContact OE1-OH 2.81Å; Y334-L348 HydrophobicContact CD1-CD2 4.28Å; Y334-L348 HydrophobicContact CE1-CD1 4.03Å; Y334-L348 HydrophobicContact CE1-CD2 4.38Å
335	E	97.3	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.8	-180	-178	-175.4	-141.9	0	0	110.6	S233 V234 I235 Q283 E284 S285 V315 L316	S233-E335 WeakPolarHBondContact CB-OE1 3.36Å; V234-E335 WeakPolarHBondContact O-CA 3.01Å; I235-E335 HydrophobicContact CD1-CG 4.44Å; I235-E335 HydrophobicContact CG1-CB 3.89Å; I235-E335 HydrophobicContact CG1-CG 3.71Å; Q283-E335 PolarHBondContact NE2-OE2 3.08Å; E284-E335 VanDerWaalsContact CA-O 3.31Å; E284-E335 WeakPolarHBondContact CA-O 3.45Å; S285-E335 PolarHBondContact N-O 3.19Å; S285-E335 PolarHBondContact O-N 2.87Å; S285-E335 WeakPolarHBondContact OG-CB 3.39Å; S285-E335 PolarHBondContact OG-OE2 3.13Å; V315-E335 VanDerWaalsContact CA-OE2 3.31Å; V315-E335 WeakPolarHBondContact CA-OE2 3.38Å; L316-E335 HydrophobicContact CD1-CB 3.82Å; L316-E335 HydrophobicContact CG-CB 4.31Å; L316-E335 PolarHBondContact N-OE2 3Å
336	T	96.7	Very high	90.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.7	163.9	-177.5	0	0	0	0	109.7	S233 V234 P277 Q283 I347 L348	S233-T336 WeakPolarHBondContact CA-O 3.08Å; V234-T336 HydrophobicContact CB-CG2 4.48Å; V234-T336 PolarHBondContact N-O 2.88Å; V234-T336 PolarHBondContact O-N 3Å; P277-T336 HydrophobicContact CB-CG2 4.37Å; Q283-T336 WeakPolarHBondContact O-CA 3.4Å; T336-I347 HydrophobicContact CG2-CG2 4.06Å; T336-L348 HydrophobicContact CG2-CB 4.17Å; T336-L348 HydrophobicContact CG2-CD2 4.34Å
337	S	95.6	Very high	91.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137	174.3	-44	0	0	0	0	110.6	L232 S233 L282 Q283	L232-S337 CarbonylContact O-C 3.59Å; L232-S337 VanDerWaalsContact O-CA 3.31Å; L232-S337 WeakPolarHBondContact O-CA 3.45Å; S233-S337 VanDerWaalsContact OG-CB 3.29Å; S233-S337 WeakPolarHBondContact OG-CB 3.3Å; S233-S337 PolarHBondContact OG-OG 2.73Å; L282-S337 WeakPolarHBondContact CB-O 3.46Å; L282-S337 PolarHBondContact N-O 3.18Å; Q283-S337 WeakPolarHBondContact CG-OG 3.28Å; Q283-S337 PolarHBondContact NE2-OG 3.25Å; Q283-S337 PolarHBondContact O-N 3.48Å
338	T	94.3	Very high	91.6	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	165.7	177.3	-168.7	0	0	0	0	111.3	P231 L232 T278 P340 I347	P231-T338 CarbonylContact C-O 3.6Å; P231-T338 WeakPolarHBondContact CA-O 3.07Å; L232-T338 PolarHBondContact N-O 2.85Å; L232-T338 PolarHBondContact O-N 3.23Å; T278-T338 HydrophobicContact CG2-CG2 4.26Å; T338-P340 WeakPolarHBondContact O-CD 3.29Å; T338-I347 HydrophobicContact CG2-CB 4.19Å; T338-I347 HydrophobicContact CG2-CD1 3.84Å; T338-I347 HydrophobicContact CG2-CG1 3.71Å; T338-I347 HydrophobicContact CG2-CG2 3.65Å
339	K	91.4	Very high	92.1	Very high	110 Å²	110	33.2 Å²	33.2	48%	0.478	17%	0.169	S	C	.	.			trans	-90	116.6	162.5	-72.4	-175.7	176.7	-170.7	0	108	P231 L282	P231-K339 HydrophobicContact CB-CG 4.42Å; P231-K339 HydrophobicContact CG-CG 4.2Å; L282-K339 HydrophobicContact CD1-CG 4.28Å
340	P	87.6	Confident	92.4	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.032	16%	0.157	C	C	.	.			trans	-56.2	138.8	173.9	-27.5	39.4	0	0	0	110.5	A220 L232 T338 I347	A220-P340 HydrophobicContact CB-CB 4.05Å; A220-P340 HydrophobicContact CB-CG 4.04Å; A220-P340 WeakPolarHBondContact O-CB 3.37Å; L232-P340 HydrophobicContact CB-CG 3.84Å; L232-P340 HydrophobicContact CD2-CG 4.26Å; T338-P340 WeakPolarHBondContact O-CD 3.29Å; P340-I347 HydrophobicContact CG-CD1 4.41Å
341	N	81.5	Confident	92.5	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.262	16%	0.157	S	C	.	.			trans	-104.2	167.9	179	66.4	18.9	0	0	0	111.9	N343 N344 Q345	N341-N343 PolarHBondContact O-N 3.37Å; N341-N343 PolarHBondContact OD1-N 3.14Å; N341-N344 PolarHBondContact O-N 3.09Å; N341-N344 PolarHBondContact OD1-N 2.72Å; N341-Q345 WeakPolarHBondContact ND2-CG 3.34Å; N341-Q345 PolarHBondContact ND2-OE1 2.87Å; N341-Q345 PolarHBondContact OD1-N 3.4Å
342	E	80.7	Confident	92.5	Very high	126 Å²	126	31.4 Å²	31.4	59%	0.589	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.5	-177.8	-59	-165.5	151	0	0	113.7	N344	E342-N344 VanDerWaalsContact C-N 3.25Å; E342-N344 PolarHBondContact O-N 2.83Å
343	N	83.4	Confident	92.1	Very high	135 Å²	135	32.9 Å²	32.9	72%	0.722	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	6.5	-176.5	-67.7	-21	0	0	0	113.5	N341 Q345	N341-N343 PolarHBondContact O-N 3.37Å; N341-N343 PolarHBondContact OD1-N 3.14Å; N343-Q345 HydrophobicContact CB-CG 4.25Å; N343-Q345 PolarHBondContact O-N 2.81Å
344	N	84.2	Confident	91.6	Very high	63 Å²	63	34.8 Å²	34.8	34%	0.337	17%	0.171	S	C	.	.			trans	51.9	39.4	-177.4	-165.3	34.8	0	0	0	112.7	S219 V221 N341 E342	S219-N344 VanDerWaalsContact CB-OD1 3.29Å; S219-N344 WeakPolarHBondContact CB-OD1 3.47Å; S219-N344 PolarHBondContact OG-ND2 3.45Å; S219-N344 PolarHBondContact OG-OD1 3.44Å; V221-N344 HydrophobicContact CG1-CB 3.53Å; N341-N344 PolarHBondContact O-N 3.09Å; N341-N344 PolarHBondContact OD1-N 2.72Å; E342-N344 VanDerWaalsContact C-N 3.25Å; E342-N344 PolarHBondContact O-N 2.83Å
345	Q	88.6	Confident	90.8	Very high	78 Å²	78	37 Å²	37	36%	0.364	19%	0.188	S	C	.	.			trans	-64.6	149.7	178.8	-72.8	-176	-17.4	0	0	111	N341 N343 I347	N341-Q345 WeakPolarHBondContact ND2-CG 3.34Å; N341-Q345 PolarHBondContact ND2-OE1 2.87Å; N341-Q345 PolarHBondContact OD1-N 3.4Å; N343-Q345 HydrophobicContact CB-CG 4.25Å; N343-Q345 PolarHBondContact O-N 2.81Å; Q345-I347 PolarHBondContact O-N 3.16Å
346	P	93.9	Very high	89.7	Confident	43 Å²	43	43.5 Å²	43.5	28%	0.279	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	131.1	176.5	-22.1	33	0	0	0	111.2	R217 T278	R217-P346 HydrophobicContact CG-CB 4.3Å; T278-P346 WeakPolarHBondContact CB-O 3.38Å
347	I	95.9	Very high	88.6	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-42.8	171.4	-64.5	-179.7	0	0	0	109.5	I218 A220 L232 V234 P277 T278 T336 T338 P340 Q345	I218-I347 WeakPolarHBondContact O-CB 3.35Å; I218-I347 PolarHBondContact O-N 3.1Å; A220-I347 HydrophobicContact CB-CD1 3.72Å; L232-I347 HydrophobicContact CD2-CD1 3.88Å; V234-I347 HydrophobicContact CB-CG2 4.43Å; V234-I347 HydrophobicContact CG2-CG2 3.95Å; P277-I347 WeakPolarHBondContact CA-O 3.43Å; T278-I347 PolarHBondContact N-O 3.34Å; T336-I347 HydrophobicContact CG2-CG2 4.06Å; T338-I347 HydrophobicContact CG2-CB 4.19Å; T338-I347 HydrophobicContact CG2-CD1 3.84Å; T338-I347 HydrophobicContact CG2-CG1 3.71Å; T338-I347 HydrophobicContact CG2-CG2 3.65Å; P340-I347 HydrophobicContact CG-CD1 4.41Å; Q345-I347 PolarHBondContact O-N 3.16Å
348	L	96.8	Very high	87.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	126.7	-178.4	179.1	62.2	0	0	0	109.7	I218 V234 V236 F275 P277 Y334 T336 V350	I218-L348 HydrophobicContact CD1-CB 4.32Å; I218-L348 HydrophobicContact CD1-CD2 4.39Å; I218-L348 HydrophobicContact CD1-CG 4.44Å; I218-L348 PolarHBondContact N-O 3.02Å; I218-L348 PolarHBondContact O-N 3.31Å; V234-L348 HydrophobicContact CG1-CD2 4.48Å; V236-L348 HydrophobicContact CG1-CD2 3.73Å; V236-L348 HydrophobicContact CG2-CD2 4.07Å; F275-L348 HydrophobicContact CB-CD1 4.35Å; P277-L348 HydrophobicContact CB-CD1 4.16Å; Y334-L348 HydrophobicContact CD1-CD2 4.28Å; Y334-L348 HydrophobicContact CE1-CD1 4.03Å; Y334-L348 HydrophobicContact CE1-CD2 4.38Å; T336-L348 HydrophobicContact CG2-CB 4.17Å; T336-L348 HydrophobicContact CG2-CD2 4.34Å; L348-V350 HydrophobicContact CD1-CG2 4.34Å; L348-V350 HydrophobicContact CD2-CG2 3.73Å; L348-V350 HydrophobicContact CG-CG2 3.74Å
349	D	97	Very high	86.2	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.4	157.6	-61.2	-21.8	0	0	0	108.7	T215 V216 R217 H276 H363 G364	T215-D349 HydrophobicContact CG2-CB 4.32Å; V216-D349 CarbonylContact O-C 3.54Å; V216-D349 WeakPolarHBondContact O-CA 3.46Å; R217-D349 VanDerWaalsContact CB-OD1 3.29Å; R217-D349 WeakPolarHBondContact CB-OD1 3.49Å; R217-D349 VanDerWaalsContact CG-OD1 3.25Å; R217-D349 WeakPolarHBondContact CG-OD1 3.18Å; R217-D349 IonicContact CZ-OD1 2.73Å; R217-D349 IonicContact CZ-OD2 3.17Å; R217-D349 IonicContact NE-OD1 3.78Å; R217-D349 PolarHBondContact NE-OD1 3.36Å; R217-D349 IonicContact NE-OD2 2.81Å; R217-D349 IonicContact NH2-OD1 3.87Å; R217-D349 PolarHBondContact NH2-OD1 3.15Å; R217-D349 IonicContact NH2-OD2 3.69Å; R217-D349 PolarHBondContact NH2-OD2 3.38Å; H276-D349 HydrophobicContact CB-CB 4.14Å; H276-D349 PolarHBondContact N-O 3.29Å; H276-D349 PolarHBondContact O-N 2.74Å; H276-D349 VanDerWaalsContact O-N 3.09Å; D349-H363 HydrophobicContact CB-CB 4.39Å; D349-G364 PolarHBondContact OD2-N 2.93Å
350	V	97.1	Very high	85.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.9	174.5	-174.6	0	0	0	0	108	F149 W214 T215 V216 V236 F238 I273 S274 F275 L348	F149-V350 HydrophobicContact CE2-CG1 4.08Å; F149-V350 HydrophobicContact CZ-CB 4.49Å; F149-V350 HydrophobicContact CZ-CG2 4.45Å; W214-V350 HydrophobicContact CZ3-CG1 4.29Å; T215-V350 CarbonylContact C-O 3.53Å; T215-V350 VanDerWaalsContact CA-O 3.31Å; T215-V350 WeakPolarHBondContact CA-O 3.42Å; V216-V350 PolarHBondContact N-O 2.8Å; V216-V350 PolarHBondContact O-N 3.01Å; V236-V350 HydrophobicContact CG1-CG2 4.13Å; V236-V350 HydrophobicContact CG2-CG2 4.2Å; F238-V350 HydrophobicContact CE2-CG1 4.26Å; F238-V350 HydrophobicContact CZ-CG1 3.85Å; I273-V350 HydrophobicContact CG2-CG1 4.12Å; S274-V350 WeakPolarHBondContact O-CA 3.48Å; F275-V350 HydrophobicContact CD1-CG1 4.12Å; F275-V350 HydrophobicContact CD1-CG2 4.24Å; F275-V350 HydrophobicContact CE1-CG1 4.02Å; L348-V350 HydrophobicContact CD1-CG2 4.34Å; L348-V350 HydrophobicContact CD2-CG2 3.73Å; L348-V350 HydrophobicContact CG-CG2 3.74Å
351	E	95.1	Very high	84.7	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.8	177.1	-63.3	-178.1	133.2	0	0	109.6	T215 I273 S274 H276 F353 G361 F362 H363	T215-E351 HydrophobicContact CG2-CG 3.93Å; I273-E351 CarbonylContact C-O 3.53Å; I273-E351 WeakPolarHBondContact CA-O 3.39Å; S274-E351 PolarHBondContact N-O 3.13Å; S274-E351 PolarHBondContact O-N 2.92Å; H276-E351 IonicContact CD2-OE2 2.56Å; H276-E351 IonicContact CE1-OE2 2.79Å; H276-E351 IonicContact NE2-OE2 3.58Å; H276-E351 PolarHBondContact NE2-OE2 2.59Å; E351-F353 HydrophobicContact CB-CD1 4.34Å; E351-F353 HydrophobicContact CB-CE1 4.48Å; E351-G361 VanDerWaalsContact OE1-C 3.22Å; E351-G361 WeakPolarHBondContact OE1-CA 3.35Å; E351-F362 PolarHBondContact OE1-N 2.77Å; E351-H363 IonicContact OE1-CG 3.34Å; E351-H363 PolarHBondContact OE1-N 3.25Å; E351-H363 IonicContact OE1-ND1 2.82Å; E351-H363 PolarHBondContact OE1-ND1 2.88Å; E351-H363 IonicContact OE2-ND1 3.77Å
352	F	93.9	Very high	84.7	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.8	168.1	176.8	-82.2	0	0	0	108.6	W128 L147 S212 D213 W214 L268 F271 I273 R354	W128-F352 HydrophobicContact CZ2-CE1 4.04Å; W128-F352 HydrophobicContact CZ2-CE2 4.29Å; W128-F352 AromaticContact CZ2-CZ 3.91Å; W128-F352 HydrophobicContact CZ2-CZ 3.91Å; W128-F352 AromaticContact NE1-CE1 3.99Å; L147-F352 HydrophobicContact CD2-CD2 4.49Å; L147-F352 HydrophobicContact CD2-CE2 3.73Å; L147-F352 HydrophobicContact CD2-CZ 4.5Å; S212-F352 VanDerWaalsContact O-CD1 3.31Å; S212-F352 WeakPolarHBondContact O-CD1 3.35Å; S212-F352 WeakPolarHBondContact O-CE1 3.33Å; D213-F352 WeakPolarHBondContact CA-O 3.17Å; W214-F352 AromaticContact CD1-CD1 3.95Å; W214-F352 HydrophobicContact CD2-CB 3.67Å; W214-F352 HydrophobicContact CD2-CG 4.47Å; W214-F352 AromaticContact CE2-CG 3.75Å; W214-F352 HydrophobicContact CE3-CB 4.08Å; W214-F352 HydrophobicContact CG-CB 4.19Å; W214-F352 HydrophobicContact CH2-CB 3.94Å; W214-F352 HydrophobicContact CZ2-CB 3.5Å; W214-F352 VanDerWaalsContact CZ2-CB 3.5Å; W214-F352 HydrophobicContact CZ2-CD2 4.19Å; W214-F352 AromaticContact CZ2-CG 3.91Å; W214-F352 HydrophobicContact CZ2-CG 3.91Å; W214-F352 HydrophobicContact CZ3-CB 4.2Å; W214-F352 PolarHBondContact N-O 3.37Å; W214-F352 AromaticContact NE1-CD1 3.58Å; W214-F352 AromaticContact NE1-CG 3.6Å; W214-F352 PolarHBondContact O-N 3.28Å; L268-F352 HydrophobicContact CD1-CZ 4.07Å; L268-F352 HydrophobicContact CD2-CZ 4.49Å; F271-F352 HydrophobicContact CB-CE1 4.46Å; F271-F352 HydrophobicContact CB-CE2 3.88Å; F271-F352 HydrophobicContact CB-CZ 3.65Å; F271-F352 HydrophobicContact CD1-CZ 4.48Å; F271-F352 HydrophobicContact CD2-CD2 4.34Å; F271-F352 AromaticContact CD2-CE2 3.53Å; F271-F352 HydrophobicContact CD2-CE2 3.53Å; F271-F352 HydrophobicContact CD2-CZ 4.15Å; F271-F352 HydrophobicContact CE2-CE2 4.22Å; F271-F352 AromaticContact CG-CE2 3.72Å; F271-F352 HydrophobicContact CG-CE2 3.72Å; F271-F352 AromaticContact CG-CZ 3.85Å; F271-F352 HydrophobicContact CG-CZ 3.85Å; I273-F352 HydrophobicContact CD1-CD2 4.29Å; I273-F352 HydrophobicContact CG1-CD2 3.74Å; I273-F352 HydrophobicContact CG1-CE2 4.42Å; F352-R354 HydrophobicContact CE1-CG 4.43Å
353	F	88.9	Confident	84.9	Confident	48 Å²	48	53.1 Å²	53.1	21%	0.211	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.5	177.9	51.2	-81.9	0	0	0	111.3	D213 F271 H272 S274 E351	D213-F353 WeakPolarHBondContact OD1-CA 3.26Å; F271-F353 CarbonylContact C-O 3.55Å; F271-F353 WeakPolarHBondContact CA-O 3.4Å; H272-F353 HydrophobicContact CB-CD1 4.42Å; H272-F353 HydrophobicContact CB-CD2 3.78Å; H272-F353 HydrophobicContact CB-CE1 3.95Å; H272-F353 HydrophobicContact CB-CE2 3.25Å; H272-F353 HydrophobicContact CB-CG 4.34Å; H272-F353 HydrophobicContact CB-CZ 3.34Å; H272-F353 AromaticContact CG-CE2 3.8Å; H272-F353 PolarHBondContact N-O 2.95Å; H272-F353 PolarHBondContact O-N 2.84Å; S274-F353 WeakPolarHBondContact OG-CE1 3.33Å; E351-F353 HydrophobicContact CB-CD1 4.34Å; E351-F353 HydrophobicContact CB-CE1 4.48Å
354	R	85.6	Confident	85.2	Confident	41 Å²	41	48.1 Å²	48.1	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.1	170.2	-67.7	-178.8	71.3	-164.6	4.5	110	S212 D213 L268 S269 F352 Q356 S357	S212-R354 WeakPolarHBondContact OG-CD 3.39Å; S212-R354 WeakPolarHBondContact OG-CG 3.44Å; D213-R354 PolarHBondContact OD1-N 3.44Å; D213-R354 VanDerWaalsContact OD1-N 3.09Å; L268-R354 PolarHBondContact O-NE 2.91Å; L268-R354 PolarHBondContact O-NH2 2.98Å; S269-R354 PolarHBondContact OG-NH2 2.82Å; F352-R354 HydrophobicContact CE1-CG 4.43Å; R354-Q356 PolarHBondContact O-N 3.23Å; R354-Q356 VanDerWaalsContact O-N 3.07Å; R354-S357 WeakPolarHBondContact O-CB 3.36Å; R354-S357 PolarHBondContact O-N 3.26Å
355	S	81.4	Confident	85.5	Confident	54 Å²	54	51.2 Å²	51.2	38%	0.378	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21	-179.5	-56.2	0	0	0	0	113.7	D270 H272 S357	D270-S355 WeakPolarHBondContact CB-OG 3.29Å; D270-S355 PolarHBondContact O-N 3.24Å; D270-S355 PolarHBondContact O-OG 2.84Å; H272-S355 PolarHBondContact CE1-OG 3.31Å; H272-S355 PolarHBondContact ND1-OG 3.03Å; S355-S357 VanDerWaalsContact C-N 3.32Å
356	Q	74	Confident	85.7	Confident	137 Å²	137	49.6 Å²	49.6	64%	0.64	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.8	177	-63.2	176.4	-2.5	0	0	113.2	R354	R354-Q356 PolarHBondContact O-N 3.23Å; R354-Q356 VanDerWaalsContact O-N 3.07Å
357	S	73.2	Confident	85.7	Confident	27 Å²	27	47.6 Å²	47.6	19%	0.189	26%	0.262	C	S	.	.			trans	-80.6	138.4	-178.2	-168.1	0	0	0	0	111.3	D213 R354 S355 F359	D213-S357 WeakPolarHBondContact OD2-CB 3.37Å; D213-S357 PolarHBondContact OD2-OG 2.97Å; R354-S357 WeakPolarHBondContact O-CB 3.36Å; R354-S357 PolarHBondContact O-N 3.26Å; S355-S357 VanDerWaalsContact C-N 3.32Å; S357-F359 PolarHBondContact O-N 2.94Å; S357-F359 WeakPolarHBondContact OG-CB 3.49Å; S357-F359 PolarHBondContact OG-N 3.35Å
358	S	69.5	Low	85.7	Confident	124 Å²	124	50 Å²	50	87%	0.867	28%	0.279	S	S	*	.			trans	-83.1	6.6	168.3	63.9	0	0	0	0	112.6
359	F	70.3	Confident	85.5	Confident	32 Å²	32	56.5 Å²	56.5	14%	0.14	31%	0.309	C	S	.	.			trans	-74.8	121.5	-179	178.2	-120.2	0	0	0	110.7	P205 D213 S357 G361 F362	P205-F359 HydrophobicContact CB-CD2 4Å; P205-F359 HydrophobicContact CB-CE2 3.94Å; P205-F359 HydrophobicContact CB-CZ 4.45Å; P205-F359 HydrophobicContact CG-CD1 4.34Å; P205-F359 HydrophobicContact CG-CD2 4.08Å; P205-F359 HydrophobicContact CG-CE1 4.34Å; P205-F359 HydrophobicContact CG-CE2 4.12Å; P205-F359 HydrophobicContact CG-CG 4.21Å; P205-F359 HydrophobicContact CG-CZ 4.24Å; D213-F359 HydrophobicContact CB-CD1 3.71Å; D213-F359 HydrophobicContact CB-CE1 4.12Å; D213-F359 HydrophobicContact CB-CG 4.47Å; D213-F359 WeakPolarHBondContact OD2-CB 3.4Å; S357-F359 PolarHBondContact O-N 2.94Å; S357-F359 WeakPolarHBondContact OG-CB 3.49Å; S357-F359 PolarHBondContact OG-N 3.35Å; F359-G361 VanDerWaalsContact CZ-CA 3.42Å; F359-G361 PolarHBondContact O-N 2.9Å; F359-F362 HydrophobicContact CE2-CD1 4.13Å; F359-F362 AromaticContact CE2-CD2 3.61Å; F359-F362 HydrophobicContact CE2-CD2 3.61Å; F359-F362 AromaticContact CE2-CE1 3.95Å; F359-F362 HydrophobicContact CE2-CE1 3.95Å; F359-F362 AromaticContact CE2-CE2 3.37Å; F359-F362 HydrophobicContact CE2-CE2 3.37Å; F359-F362 AromaticContact CE2-CG 3.96Å; F359-F362 HydrophobicContact CE2-CG 3.96Å; F359-F362 AromaticContact CE2-CZ 3.56Å; F359-F362 HydrophobicContact CE2-CZ 3.56Å; F359-F362 HydrophobicContact CZ-CB 4.3Å; F359-F362 HydrophobicContact CZ-CD1 4.32Å; F359-F362 AromaticContact CZ-CD2 3.29Å; F359-F362 HydrophobicContact CZ-CD2 3.29Å; F359-F362 AromaticContact CZ-CE2 3.54Å; F359-F362 HydrophobicContact CZ-CE2 3.54Å; F359-F362 AromaticContact CZ-CG 3.7Å; F359-F362 HydrophobicContact CZ-CG 3.7Å; F359-F362 HydrophobicContact CZ-CZ 4.16Å
360	E	72.7	Confident	85.4	Confident	187 Å²	187	57 Å²	57	87%	0.874	31%	0.312	S	S	*	.			trans	-82.9	7.9	-179.4	-64.7	-169.5	159.7	0	0	114.1
361	G	74.6	Confident	85.3	Confident	11 Å²	11	58.6 Å²	58.6	11%	0.113	32%	0.32	C	S	.	.			trans	84.7	161.3	-175.1	0	0	0	0	0	113.5	E351 F359	E351-G361 VanDerWaalsContact OE1-C 3.22Å; E351-G361 WeakPolarHBondContact OE1-CA 3.35Å; F359-G361 VanDerWaalsContact CZ-CA 3.42Å; F359-G361 PolarHBondContact O-N 2.9Å
362	F	81.8	Confident	85.4	Confident	34 Å²	34	61.3 Å²	61.3	15%	0.149	34%	0.34	C	S	.	.			trans	-122.5	109.5	167	-66.5	-54.5	0	0	0	107.3	V203 P205 T215 E351 F359 F367 E370	V203-F362 HydrophobicContact CG1-CD2 4.06Å; V203-F362 HydrophobicContact CG1-CE2 4.15Å; P205-F362 HydrophobicContact CB-CE2 3.98Å; P205-F362 HydrophobicContact CB-CZ 4.4Å; T215-F362 WeakPolarHBondContact CB-O 3.3Å; T215-F362 WeakPolarHBondContact CG2-O 3.45Å; T215-F362 PolarHBondContact OG1-O 3.48Å; E351-F362 PolarHBondContact OE1-N 2.77Å; F359-F362 HydrophobicContact CE2-CD1 4.13Å; F359-F362 AromaticContact CE2-CD2 3.61Å; F359-F362 HydrophobicContact CE2-CD2 3.61Å; F359-F362 AromaticContact CE2-CE1 3.95Å; F359-F362 HydrophobicContact CE2-CE1 3.95Å; F359-F362 AromaticContact CE2-CE2 3.37Å; F359-F362 HydrophobicContact CE2-CE2 3.37Å; F359-F362 AromaticContact CE2-CG 3.96Å; F359-F362 HydrophobicContact CE2-CG 3.96Å; F359-F362 AromaticContact CE2-CZ 3.56Å; F359-F362 HydrophobicContact CE2-CZ 3.56Å; F359-F362 HydrophobicContact CZ-CB 4.3Å; F359-F362 HydrophobicContact CZ-CD1 4.32Å; F359-F362 AromaticContact CZ-CD2 3.29Å; F359-F362 HydrophobicContact CZ-CD2 3.29Å; F359-F362 AromaticContact CZ-CE2 3.54Å; F359-F362 HydrophobicContact CZ-CE2 3.54Å; F359-F362 AromaticContact CZ-CG 3.7Å; F359-F362 HydrophobicContact CZ-CG 3.7Å; F359-F362 HydrophobicContact CZ-CZ 4.16Å; F362-F367 HydrophobicContact CB-CB 4.06Å; F362-F367 HydrophobicContact CB-CD2 4.14Å; F362-E370 HydrophobicContact CD1-CB 4.29Å; F362-E370 HydrophobicContact CD2-CG 4.41Å; F362-E370 HydrophobicContact CE1-CB 4.09Å; F362-E370 HydrophobicContact CE1-CG 4.28Å; F362-E370 HydrophobicContact CE2-CB 4.39Å; F362-E370 HydrophobicContact CE2-CG 3.9Å; F362-E370 HydrophobicContact CZ-CB 4.15Å; F362-E370 HydrophobicContact CZ-CG 3.82Å
363	H	84.9	Confident	85.5	Confident	83 Å²	83	66.5 Å²	66.5	38%	0.384	36%	0.362	S	S	.	.			trans	-141.7	159.8	173.8	62.6	-90.6	0	0	0	110.7	D349 E351 N365 S366	D349-H363 HydrophobicContact CB-CB 4.39Å; E351-H363 IonicContact OE1-CG 3.34Å; E351-H363 PolarHBondContact OE1-N 3.25Å; E351-H363 IonicContact OE1-ND1 2.82Å; E351-H363 PolarHBondContact OE1-ND1 2.88Å; E351-H363 IonicContact OE2-ND1 3.77Å; H363-N365 PolarHBondContact O-N 3.23Å; H363-N365 VanDerWaalsContact O-N 3.14Å; H363-S366 PolarHBondContact N-OG 2.83Å; H363-S366 VanDerWaalsContact N-OG 3.16Å; H363-S366 PolarHBondContact O-N 3.07Å; H363-S366 PolarHBondContact O-OG 3.11Å
364	G	89.5	Confident	85.8	Confident	30 Å²	30	65.1 Å²	65.1	31%	0.309	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-121.4	-177.4	0	0	0	0	0	112.4	R217 D349 S368	R217-G364 PolarHBondContact NH1-O 3.05Å; R217-G364 VanDerWaalsContact NH2-CA 3.3Å; R217-G364 PolarHBondContact NH2-O 3.28Å; D349-G364 PolarHBondContact OD2-N 2.93Å; G364-S368 PolarHBondContact O-N 2.86Å; G364-S368 PolarHBondContact O-OG 3.36Å
365	N	91.5	Very high	86.3	Confident	129 Å²	129	64.3 Å²	64.3	69%	0.69	36%	0.357	S	S	*	.	H	α-helix	trans	-71.8	-37.9	-176.1	-69.2	-12.8	0	0	0	113.3	H363 F367 S368 E369	H363-N365 PolarHBondContact O-N 3.23Å; H363-N365 VanDerWaalsContact O-N 3.14Å; N365-F367 VanDerWaalsContact C-N 3.27Å; N365-F367 PolarHBondContact O-N 3.33Å; N365-S368 WeakPolarHBondContact O-CB 3.47Å; N365-S368 PolarHBondContact O-N 3.42Å; N365-E369 WeakPolarHBondContact O-CG 3.4Å; N365-E369 PolarHBondContact O-N 3.28Å
366	S	91.7	Very high	87.1	Confident	44 Å²	44	67.1 Å²	67.1	31%	0.308	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-36	-178.3	61.9	0	0	0	0	111.8	H363 E369 E370	H363-S366 PolarHBondContact N-OG 2.83Å; H363-S366 VanDerWaalsContact N-OG 3.16Å; H363-S366 PolarHBondContact O-N 3.07Å; H363-S366 PolarHBondContact O-OG 3.11Å; S366-E369 PolarHBondContact O-N 3.17Å; S366-E370 PolarHBondContact O-N 2.83Å; S366-E370 VanDerWaalsContact O-N 3.07Å
367	F	94.1	Very high	88.2	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-45.1	170.6	-177.7	-85.4	0	0	0	112.6	V203 T215 R217 F362 N365 E369 E370 L371	V203-F367 HydrophobicContact CB-CD2 4.48Å; V203-F367 HydrophobicContact CB-CE2 4Å; V203-F367 HydrophobicContact CG2-CD2 4.39Å; V203-F367 HydrophobicContact CG2-CE2 3.8Å; V203-F367 HydrophobicContact CG2-CZ 3.97Å; T215-F367 HydrophobicContact CG2-CD2 3.58Å; T215-F367 HydrophobicContact CG2-CE2 3.8Å; R217-F367 HydrophobicContact CB-CD1 4.09Å; R217-F367 HydrophobicContact CB-CE1 3.45Å; R217-F367 VanDerWaalsContact CB-CE1 3.45Å; R217-F367 HydrophobicContact CB-CE2 4.21Å; R217-F367 HydrophobicContact CB-CZ 3.52Å; R217-F367 HydrophobicContact CG-CE1 4.18Å; F362-F367 HydrophobicContact CB-CB 4.06Å; F362-F367 HydrophobicContact CB-CD2 4.14Å; N365-F367 VanDerWaalsContact C-N 3.27Å; N365-F367 PolarHBondContact O-N 3.33Å; F367-E369 VanDerWaalsContact C-N 3.27Å; F367-E369 PolarHBondContact O-N 3.02Å; F367-E370 PolarHBondContact O-N 3.12Å; F367-L371 HydrophobicContact CD1-CB 4.45Å; F367-L371 HydrophobicContact CE1-CB 4.25Å; F367-L371 HydrophobicContact CE1-CD2 3.87Å; F367-L371 VanDerWaalsContact O-CB 3.23Å; F367-L371 WeakPolarHBondContact O-CB 3.42Å; F367-L371 PolarHBondContact O-N 2.88Å
368	S	95.1	Very high	89.4	Confident	54 Å²	54	62.9 Å²	62.9	38%	0.378	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-38.8	179.6	-57.9	0	0	0	0	111.6	R217 G364 N365 S372	R217-S368 PolarHBondContact NH1-OG 3.01Å; G364-S368 PolarHBondContact O-N 2.86Å; G364-S368 PolarHBondContact O-OG 3.36Å; N365-S368 WeakPolarHBondContact O-CB 3.47Å; N365-S368 PolarHBondContact O-N 3.42Å; S368-S372 WeakPolarHBondContact O-CB 3.25Å; S368-S372 PolarHBondContact O-N 3.34Å
369	E	94.6	Very high	90.7	Very high	137 Å²	137	60 Å²	60	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-50.3	177.6	-71.5	172.7	-170.1	0	0	111.9	N365 S366 F367 S372 K373	N365-E369 WeakPolarHBondContact O-CG 3.4Å; N365-E369 PolarHBondContact O-N 3.28Å; S366-E369 PolarHBondContact O-N 3.17Å; F367-E369 VanDerWaalsContact C-N 3.27Å; F367-E369 PolarHBondContact O-N 3.02Å; E369-S372 WeakPolarHBondContact O-CB 3.42Å; E369-S372 PolarHBondContact O-N 3.44Å; E369-K373 PolarHBondContact O-N 2.9Å
370	E	93.3	Very high	92	Very high	17 Å²	17	66.2 Å²	66.2	8%	0.079	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-39	179.1	-175.2	63.8	-162.3	0	0	111.5	V203 F362 S366 F367 S372 K373 Q374	V203-E370 HydrophobicContact CG1-CB 4.28Å; V203-E370 HydrophobicContact CG1-CG 3.5Å; V203-E370 VanDerWaalsContact CG1-CG 3.5Å; F362-E370 HydrophobicContact CD1-CB 4.29Å; F362-E370 HydrophobicContact CD2-CG 4.41Å; F362-E370 HydrophobicContact CE1-CB 4.09Å; F362-E370 HydrophobicContact CE1-CG 4.28Å; F362-E370 HydrophobicContact CE2-CB 4.39Å; F362-E370 HydrophobicContact CE2-CG 3.9Å; F362-E370 HydrophobicContact CZ-CB 4.15Å; F362-E370 HydrophobicContact CZ-CG 3.82Å; S366-E370 PolarHBondContact O-N 2.83Å; S366-E370 VanDerWaalsContact O-N 3.07Å; F367-E370 PolarHBondContact O-N 3.12Å; E370-S372 VanDerWaalsContact C-N 3.32Å; E370-S372 PolarHBondContact O-N 2.99Å; E370-K373 PolarHBondContact O-N 3.26Å; E370-K373 IonicContact OE1-NZ 3.37Å; E370-K373 PolarHBondContact OE1-NZ 3.48Å; E370-K373 IonicContact OE2-NZ 3.36Å; E370-K373 PolarHBondContact OE2-NZ 3.43Å; E370-Q374 HydrophobicContact CG-CG 4.36Å; E370-Q374 VanDerWaalsContact O-CG 3.29Å; E370-Q374 WeakPolarHBondContact O-CG 3.45Å; E370-Q374 PolarHBondContact O-N 3.14Å; E370-Q374 PolarHBondContact OE1-NE2 3.45Å
371	L	95.6	Very high	93.1	Very high	32 Å²	32	60.2 Å²	60.2	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-59.2	-44.2	174.4	-178.3	64.6	0	0	0	111.4	F186 V203 F367 Q374 S375	F186-L371 HydrophobicContact CD2-CD1 3.84Å; F186-L371 HydrophobicContact CE2-CD1 4.5Å; V203-L371 HydrophobicContact CG2-CB 4.02Å; V203-L371 HydrophobicContact CG2-CD1 3.85Å; F367-L371 HydrophobicContact CD1-CB 4.45Å; F367-L371 HydrophobicContact CE1-CB 4.25Å; F367-L371 HydrophobicContact CE1-CD2 3.87Å; F367-L371 VanDerWaalsContact O-CB 3.23Å; F367-L371 WeakPolarHBondContact O-CB 3.42Å; F367-L371 PolarHBondContact O-N 2.88Å; L371-Q374 PolarHBondContact O-N 2.94Å; L371-S375 WeakPolarHBondContact O-CB 3.49Å; L371-S375 PolarHBondContact O-N 3.24Å
372	S	96.6	Very high	94.2	Very high	65 Å²	65	60 Å²	60	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-44.7	176.9	-177.3	0	0	0	0	111.7	S368 E369 E370 Q374 S375 I376	S368-S372 WeakPolarHBondContact O-CB 3.25Å; S368-S372 PolarHBondContact O-N 3.34Å; E369-S372 WeakPolarHBondContact O-CB 3.42Å; E369-S372 PolarHBondContact O-N 3.44Å; E370-S372 VanDerWaalsContact C-N 3.32Å; E370-S372 PolarHBondContact O-N 2.99Å; S372-Q374 PolarHBondContact O-N 3.38Å; S372-S375 PolarHBondContact O-N 3.04Å; S372-I376 WeakPolarHBondContact O-CG1 3.42Å; S372-I376 PolarHBondContact O-N 3.07Å
373	K	96	Very high	94.8	Very high	111 Å²	111	62.7 Å²	62.7	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-46.1	176.3	174.6	177.7	148.3	-140.8	0	112.3	E369 E370 I376 S377	E369-K373 PolarHBondContact O-N 2.9Å; E370-K373 PolarHBondContact O-N 3.26Å; E370-K373 IonicContact OE1-NZ 3.37Å; E370-K373 PolarHBondContact OE1-NZ 3.48Å; E370-K373 IonicContact OE2-NZ 3.36Å; E370-K373 PolarHBondContact OE2-NZ 3.43Å; K373-I376 PolarHBondContact O-N 2.82Å; K373-S377 PolarHBondContact O-N 3.39Å; K373-S377 VanDerWaalsContact O-N 3.09Å
374	Q	95.3	Very high	95.2	Very high	19 Å²	19	65 Å²	65	9%	0.089	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-41.1	177.4	-65.9	-71.7	-13.4	0	0	111.4	T185 F186 E370 L371 S372 I376 S377 F378	T185-Q374 PolarHBondContact OG1-OE1 3.2Å; F186-Q374 HydrophobicContact CB-CB 4.09Å; F186-Q374 HydrophobicContact CB-CG 4.32Å; F186-Q374 HydrophobicContact CD1-CB 3.7Å; F186-Q374 HydrophobicContact CD1-CG 4.49Å; F186-Q374 HydrophobicContact CD2-CB 3.98Å; F186-Q374 HydrophobicContact CE1-CB 4.1Å; F186-Q374 HydrophobicContact CE2-CB 4.37Å; F186-Q374 HydrophobicContact CG-CB 3.63Å; F186-Q374 HydrophobicContact CG-CG 4.37Å; F186-Q374 HydrophobicContact CZ-CB 4.43Å; E370-Q374 HydrophobicContact CG-CG 4.36Å; E370-Q374 VanDerWaalsContact O-CG 3.29Å; E370-Q374 WeakPolarHBondContact O-CG 3.45Å; E370-Q374 PolarHBondContact O-N 3.14Å; E370-Q374 PolarHBondContact OE1-NE2 3.45Å; L371-Q374 PolarHBondContact O-N 2.94Å; S372-Q374 PolarHBondContact O-N 3.38Å; Q374-I376 PolarHBondContact O-N 3.42Å; Q374-S377 WeakPolarHBondContact O-CB 3.45Å; Q374-S377 PolarHBondContact O-N 2.96Å; Q374-F378 WeakPolarHBondContact O-CB 3.13Å; Q374-F378 PolarHBondContact O-N 3.42Å
375	S	97.6	Very high	95.4	Very high	23 Å²	23	65.7 Å²	65.7	16%	0.161	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-45.5	175.4	-174.9	0	0	0	0	112.2	E180 L371 S372 S377 F378 H379	E180-S375 VanDerWaalsContact CD-OG 3.31Å; E180-S375 PolarHBondContact OE1-OG 3.32Å; E180-S375 VanDerWaalsContact OE2-CB 3.23Å; E180-S375 WeakPolarHBondContact OE2-CB 3.19Å; E180-S375 PolarHBondContact OE2-OG 3.24Å; L371-S375 WeakPolarHBondContact O-CB 3.49Å; L371-S375 PolarHBondContact O-N 3.24Å; S372-S375 PolarHBondContact O-N 3.04Å; S375-S377 VanDerWaalsContact C-N 3.34Å; S375-S377 PolarHBondContact O-N 2.73Å; S375-F378 WeakPolarHBondContact O-CB 3.07Å; S375-F378 PolarHBondContact O-N 3.16Å; S375-H379 PolarHBondContact O-N 2.85Å; S375-H379 PolarHBondContact O-ND1 3.3Å; S375-H379 PolarHBondContact OG-CE1 3Å; S375-H379 PolarHBondContact OG-ND1 3.21Å
376	I	98.1	Very high	95.6	Very high	114 Å²	114	59.7 Å²	59.7	59%	0.585	31%	0.308	S	S	*	.	H	α-helix	trans	-60.7	-45	176.2	-69	165.3	0	0	0	110.8	S372 K373 Q374 F378 H379 K380	S372-I376 WeakPolarHBondContact O-CG1 3.42Å; S372-I376 PolarHBondContact O-N 3.07Å; K373-I376 PolarHBondContact O-N 2.82Å; Q374-I376 PolarHBondContact O-N 3.42Å; I376-F378 PolarHBondContact O-N 3.49Å; I376-H379 PolarHBondContact O-N 3.46Å; I376-K380 PolarHBondContact O-N 2.86Å; I376-K380 VanDerWaalsContact O-N 3.11Å
377	S	96.5	Very high	95.7	Very high	70 Å²	70	62.5 Å²	62.5	49%	0.49	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-44.2	177.2	-173.7	0	0	0	0	112.1	K373 Q374 S375 K380 R381	K373-S377 PolarHBondContact O-N 3.39Å; K373-S377 VanDerWaalsContact O-N 3.09Å; Q374-S377 WeakPolarHBondContact O-CB 3.45Å; Q374-S377 PolarHBondContact O-N 2.96Å; S375-S377 VanDerWaalsContact C-N 3.34Å; S375-S377 PolarHBondContact O-N 2.73Å; S377-K380 PolarHBondContact O-N 3.48Å; S377-R381 WeakPolarHBondContact O-CB 3.47Å; S377-R381 PolarHBondContact O-N 3Å
378	F	97.7	Very high	95.7	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.022	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-50.9	176.9	171.4	-99.1	0	0	0	112.4	E180 H181 D182 F186 Q374 S375 I376 K380 R381 F382 K402 S406 W466	E180-F378 HydrophobicContact CB-CD1 4.19Å; E180-F378 HydrophobicContact CB-CE1 4.11Å; E180-F378 HydrophobicContact CG-CD1 3.98Å; E180-F378 HydrophobicContact CG-CE1 3.88Å; H181-F378 WeakPolarHBondContact O-CE2 3.41Å; D182-F378 HydrophobicContact CB-CD2 4.24Å; F186-F378 HydrophobicContact CE1-CB 3.62Å; F186-F378 HydrophobicContact CE1-CD2 4.25Å; F186-F378 HydrophobicContact CE1-CG 4.14Å; F186-F378 HydrophobicContact CZ-CB 3.44Å; F186-F378 VanDerWaalsContact CZ-CB 3.44Å; F186-F378 HydrophobicContact CZ-CD1 4.43Å; F186-F378 HydrophobicContact CZ-CD2 4.24Å; F186-F378 AromaticContact CZ-CG 3.8Å; F186-F378 HydrophobicContact CZ-CG 3.8Å; Q374-F378 WeakPolarHBondContact O-CB 3.13Å; Q374-F378 PolarHBondContact O-N 3.42Å; S375-F378 WeakPolarHBondContact O-CB 3.07Å; S375-F378 PolarHBondContact O-N 3.16Å; I376-F378 PolarHBondContact O-N 3.49Å; F378-K380 VanDerWaalsContact C-N 3.31Å; F378-K380 PolarHBondContact O-N 3.44Å; F378-R381 PolarHBondContact O-N 2.97Å; F378-F382 HydrophobicContact CZ-CD2 4.25Å; F378-F382 VanDerWaalsContact O-CB 3.3Å; F378-F382 WeakPolarHBondContact O-CB 3.4Å; F378-F382 PolarHBondContact O-N 3.37Å; F378-K402 HydrophobicContact CE1-CD 3.92Å; F378-K402 HydrophobicContact CE1-CG 3.8Å; F378-K402 HydrophobicContact CZ-CG 4.04Å; F378-S406 WeakPolarHBondContact CZ-OG 3.18Å; F378-W466 AromaticContact CD2-CH2 3.42Å; F378-W466 HydrophobicContact CD2-CH2 3.42Å; F378-W466 VanDerWaalsContact CD2-CH2 3.42Å; F378-W466 AromaticContact CD2-CZ2 3.74Å; F378-W466 HydrophobicContact CD2-CZ2 3.74Å; F378-W466 AromaticContact CE2-CH2 3.49Å; F378-W466 HydrophobicContact CE2-CH2 3.49Å; F378-W466 VanDerWaalsContact CE2-CH2 3.49Å; F378-W466 AromaticContact CE2-CZ2 3.79Å; F378-W466 HydrophobicContact CE2-CZ2 3.79Å; F378-W466 HydrophobicContact CE2-CZ3 4.29Å; F378-W466 HydrophobicContact CG-CH2 4.42Å
379	H	97.4	Very high	95.6	Very high	64 Å²	64	63 Å²	63	30%	0.296	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-40.4	-179.3	-72.4	97.4	0	0	0	111.7	E180 S375 I376 F382 V383 K402	E180-H379 VanDerWaalsContact CD-CE1 3.48Å; E180-H379 IonicContact OE1-CE1 3.7Å; E180-H379 PolarHBondContact OE1-CE1 3.29Å; E180-H379 IonicContact OE1-NE2 2.63Å; E180-H379 IonicContact OE2-CE1 3.18Å; S375-H379 PolarHBondContact O-N 2.85Å; S375-H379 PolarHBondContact O-ND1 3.3Å; S375-H379 PolarHBondContact OG-CE1 3Å; S375-H379 PolarHBondContact OG-ND1 3.21Å; I376-H379 PolarHBondContact O-N 3.46Å; H379-F382 PolarHBondContact O-N 3.4Å; H379-V383 WeakPolarHBondContact O-CG2 3.48Å; H379-V383 PolarHBondContact O-N 2.85Å; H379-V383 VanDerWaalsContact O-N 3.09Å; H379-K402 PolarHBondContact NE2-NZ 3.48Å
380	K	97.5	Very high	95.5	Very high	162 Å²	162	61.6 Å²	61.6	70%	0.704	31%	0.314	S	S	*	.	H	α-helix	trans	-59.6	-50.4	174.3	-176.8	-178.5	176.7	-176.6	0	111.5	I376 S377 F378 F382 V383 E384	I376-K380 PolarHBondContact O-N 2.86Å; I376-K380 VanDerWaalsContact O-N 3.11Å; S377-K380 PolarHBondContact O-N 3.48Å; F378-K380 VanDerWaalsContact C-N 3.31Å; F378-K380 PolarHBondContact O-N 3.44Å; K380-F382 VanDerWaalsContact C-N 3.31Å; K380-F382 PolarHBondContact O-N 3.34Å; K380-V383 PolarHBondContact O-N 2.99Å; K380-E384 PolarHBondContact O-N 2.77Å
381	R	96.1	Very high	95.5	Very high	61 Å²	61	66.8 Å²	66.8	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-35.9	178.2	-174.8	177.2	174	177.6	-1.2	111.9	S377 F378 E384 R385 W466 D467	S377-R381 WeakPolarHBondContact O-CB 3.47Å; S377-R381 PolarHBondContact O-N 3Å; F378-R381 PolarHBondContact O-N 2.97Å; R381-E384 PolarHBondContact O-N 3.38Å; R381-R385 HydrophobicContact CG-CG 4.12Å; R381-R385 WeakPolarHBondContact O-CB 3.4Å; R381-R385 VanDerWaalsContact O-CG 3.29Å; R381-R385 WeakPolarHBondContact O-CG 3.26Å; R381-R385 PolarHBondContact O-N 3.45Å; R381-W466 HydrophobicContact CB-CH2 4.17Å; R381-W466 HydrophobicContact CB-CZ3 4.27Å; R381-W466 HydrophobicContact CG-CH2 3.98Å; R381-W466 HydrophobicContact CG-CZ3 3.88Å; R381-W466 PolarHBondContact NE-O 3.27Å; R381-W466 PolarHBondContact NH2-O 3.09Å; R381-D467 IonicContact CZ-OD2 3.12Å; R381-D467 IonicContact NH1-OD2 2.76Å; R381-D467 IonicContact NH2-OD2 2.73Å; R381-D467 PolarHBondContact NH2-OD2 3.18Å
382	F	96.5	Very high	95.3	Very high	7 Å²	7	70.2 Å²	70.2	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-48.4	179.3	-170.8	-91.1	0	0	0	112	F378 H379 K380 E384 R385 F386 S401 K402 V405 W466	F378-F382 HydrophobicContact CZ-CD2 4.25Å; F378-F382 VanDerWaalsContact O-CB 3.3Å; F378-F382 WeakPolarHBondContact O-CB 3.4Å; F378-F382 PolarHBondContact O-N 3.37Å; H379-F382 PolarHBondContact O-N 3.4Å; K380-F382 VanDerWaalsContact C-N 3.31Å; K380-F382 PolarHBondContact O-N 3.34Å; F382-E384 VanDerWaalsContact C-N 3.28Å; F382-E384 PolarHBondContact O-N 3.48Å; F382-R385 PolarHBondContact O-N 3.07Å; F382-F386 AromaticContact CD2-CD2 3.98Å; F382-F386 HydrophobicContact CD2-CD2 3.98Å; F382-F386 HydrophobicContact CE1-CB 4.19Å; F382-F386 HydrophobicContact CE2-CB 4.36Å; F382-F386 AromaticContact CE2-CD2 3.74Å; F382-F386 HydrophobicContact CE2-CD2 3.74Å; F382-F386 HydrophobicContact CE2-CE2 4.31Å; F382-F386 HydrophobicContact CE2-CG 4.19Å; F382-F386 HydrophobicContact CZ-CB 4.01Å; F382-F386 HydrophobicContact CZ-CD2 4.24Å; F382-F386 HydrophobicContact CZ-CG 4.25Å; F382-F386 PolarHBondContact O-N 2.99Å; F382-S401 WeakPolarHBondContact CZ-OG 3.38Å; F382-K402 HydrophobicContact CD1-CB 4.5Å; F382-K402 HydrophobicContact CD1-CG 4.49Å; F382-K402 HydrophobicContact CD2-CG 4.43Å; F382-K402 HydrophobicContact CE1-CB 3.99Å; F382-K402 HydrophobicContact CE1-CG 4.44Å; F382-K402 HydrophobicContact CE2-CB 4.27Å; F382-K402 HydrophobicContact CE2-CG 4.38Å; F382-K402 HydrophobicContact CG-CG 4.5Å; F382-K402 HydrophobicContact CZ-CB 3.87Å; F382-K402 HydrophobicContact CZ-CG 4.4Å; F382-K402 VanDerWaalsContact CZ-N 3.33Å; F382-V405 HydrophobicContact CE2-CB 3.98Å; F382-V405 HydrophobicContact CE2-CG1 4.32Å; F382-V405 HydrophobicContact CE2-CG2 4.01Å; F382-W466 HydrophobicContact CB-CZ3 4.13Å; F382-W466 HydrophobicContact CD2-CZ3 4.1Å
383	V	94.8	Very high	95.2	Very high	90 Å²	90	68 Å²	68	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-40.1	176	173.1	0	0	0	0	111.2	H379 K380 N387	H379-V383 WeakPolarHBondContact O-CG2 3.48Å; H379-V383 PolarHBondContact O-N 2.85Å; H379-V383 VanDerWaalsContact O-N 3.09Å; K380-V383 PolarHBondContact O-N 2.99Å; V383-N387 WeakPolarHBondContact O-CA 3.04Å; V383-N387 PolarHBondContact O-N 3.34Å
384	E	93.8	Very high	95.2	Very high	132 Å²	132	65.1 Å²	65.1	62%	0.617	34%	0.337	S	S	*	.	H	α-helix	trans	-64.2	-44.5	177.2	-172.6	-168.6	151.5	0	0	112.6	K380 R381 F382	K380-E384 PolarHBondContact O-N 2.77Å; R381-E384 PolarHBondContact O-N 3.38Å; F382-E384 VanDerWaalsContact C-N 3.28Å; F382-E384 PolarHBondContact O-N 3.48Å
385	R	94.4	Very high	95.2	Very high	44 Å²	44	70 Å²	70	17%	0.166	36%	0.364	C	S	.	.	H	α-helix	trans	-85.7	-29.8	-172.9	-63.1	-57.1	-167.6	166.4	11.7	113.8	R381 F382 R465 W466 E537	R381-R385 HydrophobicContact CG-CG 4.12Å; R381-R385 WeakPolarHBondContact O-CB 3.4Å; R381-R385 VanDerWaalsContact O-CG 3.29Å; R381-R385 WeakPolarHBondContact O-CG 3.26Å; R381-R385 PolarHBondContact O-N 3.45Å; F382-R385 PolarHBondContact O-N 3.07Å; R385-R465 WeakPolarHBondContact CD-O 3.49Å; R385-R465 WeakPolarHBondContact O-CD 3.33Å; R385-R465 VanDerWaalsContact O-CG 3.32Å; R385-R465 WeakPolarHBondContact O-CG 3.08Å; R385-W466 HydrophobicContact CB-CE3 4.46Å; R385-E537 IonicContact NH2-OE1 2.98Å
386	F	95.7	Very high	95.1	Very high	3 Å²	3	76 Å²	76	1%	0.013	38%	0.383	C	S	.	.	S	Bend	trans	-125.2	55.1	-179.7	-63.1	-89.4	0	0	0	110.1	F382 V388 V405 I462 R465 W466 L871	F382-F386 AromaticContact CD2-CD2 3.98Å; F382-F386 HydrophobicContact CD2-CD2 3.98Å; F382-F386 HydrophobicContact CE1-CB 4.19Å; F382-F386 HydrophobicContact CE2-CB 4.36Å; F382-F386 AromaticContact CE2-CD2 3.74Å; F382-F386 HydrophobicContact CE2-CD2 3.74Å; F382-F386 HydrophobicContact CE2-CE2 4.31Å; F382-F386 HydrophobicContact CE2-CG 4.19Å; F382-F386 HydrophobicContact CZ-CB 4.01Å; F382-F386 HydrophobicContact CZ-CD2 4.24Å; F382-F386 HydrophobicContact CZ-CG 4.25Å; F382-F386 PolarHBondContact O-N 2.99Å; F386-V388 WeakPolarHBondContact O-CG2 3.28Å; F386-V388 PolarHBondContact O-N 3.13Å; F386-V405 HydrophobicContact CE1-CG2 3.99Å; F386-V405 HydrophobicContact CE2-CG1 4.15Å; F386-V405 HydrophobicContact CE2-CG2 4.01Å; F386-V405 HydrophobicContact CZ-CG1 4.33Å; F386-V405 HydrophobicContact CZ-CG2 3.73Å; F386-I462 HydrophobicContact CE1-CD1 4.23Å; F386-I462 HydrophobicContact CZ-CG2 4.1Å; F386-R465 HydrophobicContact CD1-CG 4.48Å; F386-R465 HydrophobicContact CE1-CB 4.33Å; F386-R465 HydrophobicContact CE1-CG 4.11Å; F386-R465 HydrophobicContact CZ-CB 4.19Å; F386-R465 HydrophobicContact CZ-CG 4.16Å; F386-W466 HydrophobicContact CD2-CE3 4.39Å; F386-W466 HydrophobicContact CE2-CB 4.03Å; F386-W466 AromaticContact CE2-CE3 3.9Å; F386-W466 HydrophobicContact CE2-CE3 3.9Å; F386-W466 HydrophobicContact CZ-CB 4.26Å; F386-L871 HydrophobicContact CD1-CD2 4.09Å; F386-L871 HydrophobicContact CE1-CD2 3.58Å
387	N	93.7	Very high	95	Very high	103 Å²	103	71.3 Å²	71.3	55%	0.551	36%	0.359	S	S	*	.			trans	-60.9	131.4	177.5	-174.9	37.8	0	0	0	110.7	V383 S874	V383-N387 WeakPolarHBondContact O-CA 3.04Å; V383-N387 PolarHBondContact O-N 3.34Å; N387-S874 WeakPolarHBondContact O-CA 3.5Å; N387-S874 WeakPolarHBondContact O-CB 3.45Å
388	V	93	Very high	94.9	Very high	12 Å²	12	69.5 Å²	69.5	7%	0.073	35%	0.345	C	S	.	.			trans	-123.6	133.5	-179.3	178.9	0	0	0	0	108.9	F386 L390 F393 V398 I873	F386-V388 WeakPolarHBondContact O-CG2 3.28Å; F386-V388 PolarHBondContact O-N 3.13Å; V388-L390 PolarHBondContact O-N 3.34Å; V388-L390 VanDerWaalsContact O-N 3.11Å; V388-F393 HydrophobicContact CG1-CB 3.61Å; V388-F393 HydrophobicContact CG1-CD2 3.5Å; V388-F393 HydrophobicContact CG1-CE2 4.48Å; V388-F393 HydrophobicContact CG1-CG 3.83Å; V388-V398 HydrophobicContact CB-CG2 3.93Å; V388-V398 HydrophobicContact CG1-CG2 3.95Å; V388-V398 HydrophobicContact CG2-CG2 4.28Å; V388-I873 HydrophobicContact CG2-CD1 4.03Å; V388-I873 HydrophobicContact CG2-CG1 4.01Å
389	D	93	Very high	94.8	Very high	51 Å²	51	72.8 Å²	72.8	27%	0.273	36%	0.362	S	S	.	.			trans	-70.9	102.1	173.4	-178.2	-3.3	0	0	0	110.4	T391 K392 F393	D389-T391 PolarHBondContact O-N 3.23Å; D389-T391 VanDerWaalsContact O-N 3.15Å; D389-T391 VanDerWaalsContact OD1-CB 3.31Å; D389-T391 WeakPolarHBondContact OD1-CB 3.48Å; D389-T391 WeakPolarHBondContact OD1-CG2 3.41Å; D389-T391 PolarHBondContact OD1-N 2.8Å; D389-T391 PolarHBondContact OD1-OG1 3.46Å; D389-T391 PolarHBondContact OD2-OG1 2.83Å; D389-K392 HydrophobicContact CB-CB 4.48Å; D389-K392 HydrophobicContact CB-CD 4.38Å; D389-K392 HydrophobicContact CB-CG 4.47Å; D389-K392 PolarHBondContact O-N 3.23Å; D389-K392 WeakPolarHBondContact OD2-CD 3.12Å; D389-K392 WeakPolarHBondContact OD2-CE 3.44Å; D389-K392 IonicContact OD2-NZ 3.91Å; D389-F393 PolarHBondContact O-N 3.3Å
390	L	93	Very high	94.7	Very high	109 Å²	109	69.8 Å²	69.8	57%	0.571	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.4	-179.9	-63.5	178.5	0	0	0	113.7	V388 K392 F393 V398	V388-L390 PolarHBondContact O-N 3.34Å; V388-L390 VanDerWaalsContact O-N 3.11Å; L390-K392 VanDerWaalsContact C-N 3.26Å; L390-F393 CarbonylContact C-O 3.54Å; L390-F393 WeakPolarHBondContact CA-O 3.48Å; L390-V398 HydrophobicContact CD2-CG2 3.75Å
391	T	93	Very high	94.7	Very high	126 Å²	126	62 Å²	62	77%	0.773	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.5	170	73.8	0	0	0	0	112.1	D389	D389-T391 PolarHBondContact O-N 3.23Å; D389-T391 VanDerWaalsContact O-N 3.15Å; D389-T391 VanDerWaalsContact OD1-CB 3.31Å; D389-T391 WeakPolarHBondContact OD1-CB 3.48Å; D389-T391 WeakPolarHBondContact OD1-CG2 3.41Å; D389-T391 PolarHBondContact OD1-N 2.8Å; D389-T391 PolarHBondContact OD1-OG1 3.46Å; D389-T391 PolarHBondContact OD2-OG1 2.83Å
392	K	92.5	Very high	94.8	Very high	103 Å²	103	60.7 Å²	60.7	45%	0.448	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-25.6	-178.3	-63.7	-179.3	-173.9	177.7	0	113.5	D389 L390 Q829	D389-K392 HydrophobicContact CB-CB 4.48Å; D389-K392 HydrophobicContact CB-CD 4.38Å; D389-K392 HydrophobicContact CB-CG 4.47Å; D389-K392 PolarHBondContact O-N 3.23Å; D389-K392 WeakPolarHBondContact OD2-CD 3.12Å; D389-K392 WeakPolarHBondContact OD2-CE 3.44Å; D389-K392 IonicContact OD2-NZ 3.91Å; L390-K392 VanDerWaalsContact C-N 3.26Å; K392-Q829 PolarHBondContact O-NE2 3.47Å
393	F	94.9	Very high	94.8	Very high	18 Å²	18	61.2 Å²	61.2	8%	0.079	31%	0.313	C	S	.	.	S	Bend	trans	-131.1	146.3	-176.6	-58.3	-78.7	0	0	0	111.5	V388 D389 L390 Q397 T828 A832 I873	V388-F393 HydrophobicContact CG1-CB 3.61Å; V388-F393 HydrophobicContact CG1-CD2 3.5Å; V388-F393 HydrophobicContact CG1-CE2 4.48Å; V388-F393 HydrophobicContact CG1-CG 3.83Å; D389-F393 PolarHBondContact O-N 3.3Å; L390-F393 CarbonylContact C-O 3.54Å; L390-F393 WeakPolarHBondContact CA-O 3.48Å; F393-Q397 VanDerWaalsContact CA-OE1 3.32Å; F393-Q397 HydrophobicContact CB-CB 4.32Å; F393-T828 HydrophobicContact CE1-CG2 3.88Å; F393-T828 HydrophobicContact CZ-CG2 3.5Å; F393-A832 HydrophobicContact CE1-CB 4.42Å; F393-I873 HydrophobicContact CD1-CB 4.33Å; F393-I873 HydrophobicContact CD1-CG2 4.19Å; F393-I873 HydrophobicContact CE1-CB 4.15Å; F393-I873 HydrophobicContact CE1-CG2 3.9Å; F393-I873 HydrophobicContact CE2-CB 4.38Å; F393-I873 WeakPolarHBondContact CE2-O 3.42Å; F393-I873 HydrophobicContact CZ-CB 4.18Å; F393-I873 HydrophobicContact CZ-CG2 4.33Å
394	S	94.7	Very high	94.9	Very high	52 Å²	52	56.9 Å²	56.9	36%	0.364	29%	0.287	S	S	.	.			trans	-81.5	159.6	177.6	62.8	0	0	0	0	112.7	R396 Q397 V398	S394-R396 PolarHBondContact O-N 3.19Å; S394-R396 VanDerWaalsContact O-N 3.14Å; S394-Q397 WeakPolarHBondContact O-CB 3.32Å; S394-Q397 PolarHBondContact O-N 3.26Å; S394-Q397 PolarHBondContact OG-N 3.5Å; S394-Q397 PolarHBondContact OG-OE1 2.73Å; S394-Q397 VanDerWaalsContact OG-OE1 3.13Å; S394-V398 PolarHBondContact O-N 3.13Å; S394-V398 VanDerWaalsContact O-N 3.08Å
395	D	95.5	Very high	95.2	Very high	122 Å²	122	50.6 Å²	50.6	65%	0.652	26%	0.258	S	S	*	.	H	α-helix	trans	-55.7	-31.3	172.9	-63.8	-49.3	0	0	0	112.8	V398 N399	D395-V398 PolarHBondContact O-N 3.14Å; D395-N399 WeakPolarHBondContact O-CB 3.42Å; D395-N399 PolarHBondContact O-N 3.14Å
396	R	96.5	Very high	95.4	Very high	148 Å²	148	48.5 Å²	48.5	56%	0.558	25%	0.25	S	S	*	.	H	α-helix	trans	-64.2	-39.7	175	-68.6	169.9	71.6	176.6	6.2	111.8	S394 N399 L400 L836 E840	S394-R396 PolarHBondContact O-N 3.19Å; S394-R396 VanDerWaalsContact O-N 3.14Å; R396-N399 PolarHBondContact O-N 2.84Å; R396-L400 PolarHBondContact O-N 3.39Å; R396-L836 HydrophobicContact CB-CD1 4.39Å; R396-L836 HydrophobicContact CB-CD2 3.88Å; R396-E840 IonicContact CZ-OE1 3.57Å; R396-E840 IonicContact CZ-OE2 3.19Å; R396-E840 IonicContact NE-OE1 2.75Å; R396-E840 PolarHBondContact NE-OE1 2.87Å; R396-E840 IonicContact NE-OE2 2.84Å; R396-E840 IonicContact NH2-OE1 3.5Å; R396-E840 PolarHBondContact NH2-OE1 3.09Å; R396-E840 IonicContact NH2-OE2 2.99Å; R396-E840 PolarHBondContact NH2-OE2 3.5Å
397	Q	94.6	Very high	95.5	Very high	16 Å²	16	48.6 Å²	48.6	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-70.9	-35.4	175.8	-69.6	166.2	-57	0	0	111.5	F393 S394 N399 L400 S401 L836 I873	F393-Q397 VanDerWaalsContact CA-OE1 3.32Å; F393-Q397 HydrophobicContact CB-CB 4.32Å; S394-Q397 WeakPolarHBondContact O-CB 3.32Å; S394-Q397 PolarHBondContact O-N 3.26Å; S394-Q397 PolarHBondContact OG-N 3.5Å; S394-Q397 PolarHBondContact OG-OE1 2.73Å; S394-Q397 VanDerWaalsContact OG-OE1 3.13Å; Q397-N399 VanDerWaalsContact C-N 3.33Å; Q397-L400 WeakPolarHBondContact O-CB 3.4Å; Q397-L400 PolarHBondContact O-N 3.02Å; Q397-S401 PolarHBondContact O-N 2.57Å; Q397-S401 VanDerWaalsContact O-N 3.12Å; Q397-L836 HydrophobicContact CG-CD2 3.75Å; Q397-I873 VanDerWaalsContact O-CD1 3.31Å; Q397-I873 WeakPolarHBondContact O-CD1 3.47Å
398	V	94.2	Very high	95.7	Very high	32 Å²	32	43.8 Å²	43.8	19%	0.194	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-42.6	171.1	179.9	0	0	0	0	110.7	V388 L390 S394 D395 L400 S401 K402	V388-V398 HydrophobicContact CB-CG2 3.93Å; V388-V398 HydrophobicContact CG1-CG2 3.95Å; V388-V398 HydrophobicContact CG2-CG2 4.28Å; L390-V398 HydrophobicContact CD2-CG2 3.75Å; S394-V398 PolarHBondContact O-N 3.13Å; S394-V398 VanDerWaalsContact O-N 3.08Å; D395-V398 PolarHBondContact O-N 3.14Å; V398-L400 PolarHBondContact O-N 3.27Å; V398-S401 WeakPolarHBondContact O-CB 3.1Å; V398-S401 PolarHBondContact O-N 3.46Å; V398-S401 VanDerWaalsContact O-N 3.14Å; V398-K402 PolarHBondContact O-N 3.29Å; V398-K402 VanDerWaalsContact O-N 3.08Å
399	N	95.7	Very high	96	Very high	73 Å²	73	43.3 Å²	43.3	39%	0.39	22%	0.222	S	C	.	.	H	α-helix	trans	-67.1	-35.7	177.2	-169.1	57.6	0	0	0	112.7	D395 R396 Q397 S401 K402 I403	D395-N399 WeakPolarHBondContact O-CB 3.42Å; D395-N399 PolarHBondContact O-N 3.14Å; R396-N399 PolarHBondContact O-N 2.84Å; Q397-N399 VanDerWaalsContact C-N 3.33Å; N399-S401 VanDerWaalsContact C-N 3.29Å; N399-S401 PolarHBondContact O-N 3.49Å; N399-K402 WeakPolarHBondContact O-CB 2.98Å; N399-K402 PolarHBondContact O-N 3.39Å; N399-K402 WeakPolarHBondContact OD1-CE 3.38Å; N399-I403 WeakPolarHBondContact O-CG1 3.19Å; N399-I403 PolarHBondContact O-N 3.27Å
400	L	96.6	Very high	96.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-54.2	-48	168.3	160.2	66.3	0	0	0	110.8	R396 Q397 V398 K402 I403 A404 V835 L836 L839 L845 I869	R396-L400 PolarHBondContact O-N 3.39Å; Q397-L400 WeakPolarHBondContact O-CB 3.4Å; Q397-L400 PolarHBondContact O-N 3.02Å; V398-L400 PolarHBondContact O-N 3.27Å; L400-K402 VanDerWaalsContact C-N 3.28Å; L400-K402 PolarHBondContact O-N 2.72Å; L400-I403 PolarHBondContact O-N 3.39Å; L400-A404 VanDerWaalsContact O-CB 3.29Å; L400-A404 WeakPolarHBondContact O-CB 3.32Å; L400-A404 PolarHBondContact O-N 2.95Å; L400-V835 HydrophobicContact CD1-CG1 3.77Å; L400-V835 HydrophobicContact CD2-CB 4.15Å; L400-V835 HydrophobicContact CD2-CG1 3.95Å; L400-V835 HydrophobicContact CG-CG1 4.48Å; L400-L836 HydrophobicContact CB-CD1 4.04Å; L400-L836 HydrophobicContact CD2-CB 3.96Å; L400-L839 HydrophobicContact CB-CD2 4.39Å; L400-L839 HydrophobicContact CD1-CD2 3.56Å; L400-L845 HydrophobicContact CD1-CD2 3.71Å; L400-I869 HydrophobicContact CD1-CG2 4.33Å; L400-I869 HydrophobicContact CD2-CG1 4.04Å; L400-I869 HydrophobicContact CD2-CG2 4.26Å; L400-I869 HydrophobicContact CG-CG2 4.17Å
401	S	96.5	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-40.2	178.7	177.8	0	0	0	0	112	F382 Q397 V398 N399 A404 V405 S870	F382-S401 WeakPolarHBondContact CZ-OG 3.38Å; Q397-S401 PolarHBondContact O-N 2.57Å; Q397-S401 VanDerWaalsContact O-N 3.12Å; V398-S401 WeakPolarHBondContact O-CB 3.1Å; V398-S401 PolarHBondContact O-N 3.46Å; V398-S401 VanDerWaalsContact O-N 3.14Å; N399-S401 VanDerWaalsContact C-N 3.29Å; N399-S401 PolarHBondContact O-N 3.49Å; S401-A404 PolarHBondContact O-N 2.8Å; S401-V405 WeakPolarHBondContact O-CG2 3.45Å; S401-V405 PolarHBondContact O-N 2.92Å; S401-S870 VanDerWaalsContact CA-OG 3.3Å; S401-S870 WeakPolarHBondContact CA-OG 3.32Å; S401-S870 PolarHBondContact O-OG 3.14Å; S401-S870 WeakPolarHBondContact OG-CA 3.5Å; S401-S870 WeakPolarHBondContact OG-CB 3.44Å; S401-S870 PolarHBondContact OG-OG 2.75Å
402	K	97.4	Very high	96.7	Very high	32 Å²	32	30 Å²	30	14%	0.139	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-51.8	176.3	-166	-178.3	81.4	171.1	0	111.8	L179 F378 H379 F382 V398 N399 L400 A404 V405 S406	L179-K402 WeakPolarHBondContact O-CE 3.4Å; F378-K402 HydrophobicContact CE1-CD 3.92Å; F378-K402 HydrophobicContact CE1-CG 3.8Å; F378-K402 HydrophobicContact CZ-CG 4.04Å; H379-K402 PolarHBondContact NE2-NZ 3.48Å; F382-K402 HydrophobicContact CD1-CB 4.5Å; F382-K402 HydrophobicContact CD1-CG 4.49Å; F382-K402 HydrophobicContact CD2-CG 4.43Å; F382-K402 HydrophobicContact CE1-CB 3.99Å; F382-K402 HydrophobicContact CE1-CG 4.44Å; F382-K402 HydrophobicContact CE2-CB 4.27Å; F382-K402 HydrophobicContact CE2-CG 4.38Å; F382-K402 HydrophobicContact CG-CG 4.5Å; F382-K402 HydrophobicContact CZ-CB 3.87Å; F382-K402 HydrophobicContact CZ-CG 4.4Å; F382-K402 VanDerWaalsContact CZ-N 3.33Å; V398-K402 PolarHBondContact O-N 3.29Å; V398-K402 VanDerWaalsContact O-N 3.08Å; N399-K402 WeakPolarHBondContact O-CB 2.98Å; N399-K402 PolarHBondContact O-N 3.39Å; N399-K402 WeakPolarHBondContact OD1-CE 3.38Å; L400-K402 VanDerWaalsContact C-N 3.28Å; L400-K402 PolarHBondContact O-N 2.72Å; K402-A404 VanDerWaalsContact C-N 3.3Å; K402-A404 PolarHBondContact O-N 2.9Å; K402-V405 PolarHBondContact O-N 3.31Å; K402-S406 WeakPolarHBondContact O-CB 3.34Å; K402-S406 PolarHBondContact O-N 2.97Å; K402-S406 PolarHBondContact O-OG 3.33Å
403	I	97.4	Very high	97	Very high	18 Å²	18	25 Å²	25	9%	0.092	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-41.1	178.9	-69.4	170.6	0	0	0	111	N177 N399 L400 N407 L839	N177-I403 HydrophobicContact CB-CG2 4.47Å; N399-I403 WeakPolarHBondContact O-CG1 3.19Å; N399-I403 PolarHBondContact O-N 3.27Å; L400-I403 PolarHBondContact O-N 3.39Å; I403-N407 VanDerWaalsContact CG2-ND2 3.3Å; I403-N407 WeakPolarHBondContact CG2-ND2 3.44Å; I403-N407 WeakPolarHBondContact O-CB 3.33Å; I403-N407 PolarHBondContact O-N 2.68Å; I403-N407 PolarHBondContact O-ND2 3.35Å; I403-L839 HydrophobicContact CD1-CD2 4.2Å; I403-L839 HydrophobicContact CG2-CD1 4.5Å; I403-L839 HydrophobicContact CG2-CD2 4.26Å
404	A	98	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-52.9	177.5	0	0	0	0	0	112	L400 S401 K402 N407 L408 L845 S867 I869	L400-A404 VanDerWaalsContact O-CB 3.29Å; L400-A404 WeakPolarHBondContact O-CB 3.32Å; L400-A404 PolarHBondContact O-N 2.95Å; S401-A404 PolarHBondContact O-N 2.8Å; K402-A404 VanDerWaalsContact C-N 3.3Å; K402-A404 PolarHBondContact O-N 2.9Å; A404-N407 PolarHBondContact O-N 2.69Å; A404-L408 PolarHBondContact O-N 2.91Å; A404-L845 HydrophobicContact CB-CD1 3.84Å; A404-S867 PolarHBondContact O-OG 3.43Å; A404-S867 VanDerWaalsContact O-OG 3.13Å; A404-I869 HydrophobicContact CB-CG2 4.23Å
405	V	98.3	Very high	97.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-45.5	178.9	173.8	0	0	0	0	111.2	F382 F386 S401 K402 N407 L408 L409 I462 S870	F382-V405 HydrophobicContact CE2-CB 3.98Å; F382-V405 HydrophobicContact CE2-CG1 4.32Å; F382-V405 HydrophobicContact CE2-CG2 4.01Å; F386-V405 HydrophobicContact CE1-CG2 3.99Å; F386-V405 HydrophobicContact CE2-CG1 4.15Å; F386-V405 HydrophobicContact CE2-CG2 4.01Å; F386-V405 HydrophobicContact CZ-CG1 4.33Å; F386-V405 HydrophobicContact CZ-CG2 3.73Å; S401-V405 WeakPolarHBondContact O-CG2 3.45Å; S401-V405 PolarHBondContact O-N 2.92Å; K402-V405 PolarHBondContact O-N 3.31Å; V405-N407 VanDerWaalsContact C-N 3.34Å; V405-N407 PolarHBondContact O-N 2.87Å; V405-L408 PolarHBondContact O-N 3.16Å; V405-L409 HydrophobicContact CG1-CD1 3.74Å; V405-L409 HydrophobicContact CG1-CG 4.34Å; V405-L409 VanDerWaalsContact O-CG 3.29Å; V405-L409 WeakPolarHBondContact O-CG 3.38Å; V405-L409 PolarHBondContact O-N 3.05Å; V405-I462 HydrophobicContact CG1-CG2 4.23Å; V405-I462 HydrophobicContact CG2-CG2 3.94Å; V405-S870 WeakPolarHBondContact CG2-OG 3.44Å
406	S	98.6	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-39.8	178.6	-67.5	0	0	0	0	112.4	W178 E180 H181 F378 K402 L409 G410	W178-S406 WeakPolarHBondContact O-CB 3.17Å; E180-S406 WeakPolarHBondContact CA-OG 3.38Å; H181-S406 WeakPolarHBondContact CB-O 3.22Å; H181-S406 PolarHBondContact N-OG 2.85Å; F378-S406 WeakPolarHBondContact CZ-OG 3.18Å; K402-S406 WeakPolarHBondContact O-CB 3.34Å; K402-S406 PolarHBondContact O-N 2.97Å; K402-S406 PolarHBondContact O-OG 3.33Å; S406-L409 PolarHBondContact O-N 3.32Å; S406-G410 PolarHBondContact O-N 3.11Å
407	N	98.4	Very high	97	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.027	7%	0.074	C	C	.	.	H	α-helix	trans	-70.1	-35.5	175.4	-81.6	-64.4	0	0	0	113.4	N177 W178 I403 A404 V405 G410 G411 S863	N177-N407 WeakPolarHBondContact CA-OD1 3.35Å; N177-N407 PolarHBondContact OD1-ND2 3.47Å; W178-N407 PolarHBondContact N-OD1 3.36Å; I403-N407 VanDerWaalsContact CG2-ND2 3.3Å; I403-N407 WeakPolarHBondContact CG2-ND2 3.44Å; I403-N407 WeakPolarHBondContact O-CB 3.33Å; I403-N407 PolarHBondContact O-N 2.68Å; I403-N407 PolarHBondContact O-ND2 3.35Å; A404-N407 PolarHBondContact O-N 2.69Å; V405-N407 VanDerWaalsContact C-N 3.34Å; V405-N407 PolarHBondContact O-N 2.87Å; N407-G410 CarbonylContact O-C 3.58Å; N407-G411 PolarHBondContact O-N 3.46Å; N407-S863 VanDerWaalsContact CB-CB 3.4Å; N407-S863 WeakPolarHBondContact CB-OG 3.36Å
408	L	98.6	Very high	97.1	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-61.6	-47.4	172.8	-179.4	71.5	0	0	0	110.4	A404 V405 G411 I412 A441 H459 I462 L463 S863	A404-L408 PolarHBondContact O-N 2.91Å; V405-L408 PolarHBondContact O-N 3.16Å; L408-G411 WeakPolarHBondContact O-CA 3.18Å; L408-G411 PolarHBondContact O-N 3.35Å; L408-I412 PolarHBondContact O-N 3.43Å; L408-A441 HydrophobicContact CD1-CB 3.93Å; L408-H459 HydrophobicContact CD1-CB 4.02Å; L408-H459 HydrophobicContact CD2-CB 4.49Å; L408-I462 HydrophobicContact CD2-CB 3.5Å; L408-I462 VanDerWaalsContact CD2-CB 3.5Å; L408-I462 HydrophobicContact CD2-CG1 3.97Å; L408-I462 HydrophobicContact CD2-CG2 3.52Å; L408-L463 HydrophobicContact CD2-CD2 4.41Å; L408-S863 WeakPolarHBondContact CB-O 3.25Å; L408-S863 WeakPolarHBondContact CD1-O 3.29Å
409	L	98.6	Very high	97.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-43.8	179.3	-68.7	167.7	0	0	0	111.8	H181 V405 S406 G411 I412 L463 W466 L470	H181-L409 HydrophobicContact CB-CB 4.35Å; H181-L409 WeakPolarHBondContact O-CD1 3.44Å; V405-L409 HydrophobicContact CG1-CD1 3.74Å; V405-L409 HydrophobicContact CG1-CG 4.34Å; V405-L409 VanDerWaalsContact O-CG 3.29Å; V405-L409 WeakPolarHBondContact O-CG 3.38Å; V405-L409 PolarHBondContact O-N 3.05Å; S406-L409 PolarHBondContact O-N 3.32Å; L409-G411 PolarHBondContact O-N 3.39Å; L409-I412 HydrophobicContact CD2-CD1 4.13Å; L409-I412 WeakPolarHBondContact O-CB 3.48Å; L409-I412 WeakPolarHBondContact O-CG1 3.18Å; L409-I412 PolarHBondContact O-N 2.96Å; L409-L463 HydrophobicContact CD2-CD2 3.66Å; L409-W466 HydrophobicContact CD1-CD2 4.29Å; L409-W466 HydrophobicContact CD1-CG 4.15Å; L409-L470 HydrophobicContact CD2-CD1 4.09Å
410	G	98	Very high	97.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	1.4	173.5	0	0	0	0	0	114.3	W178 S406 N407	W178-G410 PolarHBondContact NE1-O 3.41Å; W178-G410 VanDerWaalsContact NE1-O 3.15Å; S406-G410 PolarHBondContact O-N 3.11Å; N407-G410 CarbonylContact O-C 3.58Å
411	G	97.9	Very high	97	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.031	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.9	170.7	0	0	0	0	0	113.4	N407 L408 L409 T442	N407-G411 PolarHBondContact O-N 3.46Å; L408-G411 WeakPolarHBondContact O-CA 3.18Å; L408-G411 PolarHBondContact O-N 3.35Å; L409-G411 PolarHBondContact O-N 3.39Å; G411-T442 PolarHBondContact O-N 2.84Å; G411-T442 PolarHBondContact O-OG1 3.05Å
412	I	98.4	Very high	96.9	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.09	C	C	.	.			trans	-68.9	130.3	174.4	-64.1	172.1	0	0	0	109.7	Y131 L408 L409 F439 T440 A441 L463	Y131-I412 WeakPolarHBondContact CA-O 3.41Å; Y131-I412 HydrophobicContact CD1-CG2 4.32Å; Y131-I412 HydrophobicContact CE1-CG2 4.37Å; L408-I412 PolarHBondContact O-N 3.43Å; L409-I412 HydrophobicContact CD2-CD1 4.13Å; L409-I412 WeakPolarHBondContact O-CB 3.48Å; L409-I412 WeakPolarHBondContact O-CG1 3.18Å; L409-I412 PolarHBondContact O-N 2.96Å; I412-F439 HydrophobicContact CG2-CD2 4.08Å; I412-F439 HydrophobicContact CG2-CE1 4.04Å; I412-F439 HydrophobicContact CG2-CE2 3.44Å; I412-F439 VanDerWaalsContact CG2-CE2 3.44Å; I412-F439 HydrophobicContact CG2-CZ 3.43Å; I412-F439 VanDerWaalsContact CG2-CZ 3.43Å; I412-T440 CarbonylContact C-O 3.6Å; I412-T440 WeakPolarHBondContact CA-O 3.39Å; I412-A441 HydrophobicContact CG1-CB 4.15Å; I412-L463 HydrophobicContact CD1-CD2 4.15Å
413	G	97.3	Very high	96.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.1	179.4	0	0	0	0	0	113.3	F439 T440	G413-F439 WeakPolarHBondContact O-CA 3.43Å; G413-T440 PolarHBondContact N-O 3.27Å; G413-T440 PolarHBondContact O-N 3.21Å; G413-T440 VanDerWaalsContact O-N 3.11Å
414	F	96.4	Very high	96.2	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.1	170.2	178.5	-91.5	0	0	0	109.6	Y131 K140 R142 S143 L438 F439	Y131-F414 HydrophobicContact CD2-CB 4.27Å; Y131-F414 HydrophobicContact CG-CB 4.23Å; Y131-F414 PolarHBondContact O-N 2.64Å; K140-F414 PolarHBondContact NZ-O 3.34Å; R142-F414 HydrophobicContact CB-CD2 3.82Å; R142-F414 HydrophobicContact CB-CE2 3.84Å; R142-F414 HydrophobicContact CB-CG 4.18Å; R142-F414 HydrophobicContact CB-CZ 4.26Å; R142-F414 HydrophobicContact CG-CB 4.27Å; R142-F414 HydrophobicContact CG-CD2 3.69Å; R142-F414 HydrophobicContact CG-CE2 4.21Å; R142-F414 HydrophobicContact CG-CG 3.97Å; S143-F414 VanDerWaalsContact N-CE1 3.32Å; S143-F414 VanDerWaalsContact O-CE1 3.27Å; S143-F414 WeakPolarHBondContact O-CE1 3.38Å; F414-L438 WeakPolarHBondContact CA-O 3.41Å; F414-F439 HydrophobicContact CB-CD2 4.35Å; F414-F439 HydrophobicContact CD2-CB 4.38Å; F414-F439 HydrophobicContact CD2-CD2 4.43Å
415	F	96.5	Very high	95.7	Very high	21 Å²	21	23.2 Å²	23.2	9%	0.092	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.7	-174.7	-47.9	-84.9	0	0	0	109.9	P133 S437 L438 T440 T442 P449 L494	P133-F415 HydrophobicContact CG-CZ 4.05Å; F415-S437 CarbonylContact O-C 3.53Å; F415-S437 WeakPolarHBondContact O-CA 3.46Å; F415-L438 HydrophobicContact CB-CB 4.48Å; F415-L438 HydrophobicContact CD2-CB 4.48Å; F415-L438 WeakPolarHBondContact CD2-O 3Å; F415-L438 PolarHBondContact N-O 3.06Å; F415-L438 PolarHBondContact O-N 2.83Å; F415-T440 HydrophobicContact CD2-CG2 4.04Å; F415-T440 HydrophobicContact CE2-CG2 3.71Å; F415-T442 HydrophobicContact CE2-CG2 4.27Å; F415-T442 HydrophobicContact CZ-CG2 3.87Å; F415-P449 VanDerWaalsContact CE1-O 3.26Å; F415-P449 WeakPolarHBondContact CE1-O 3.46Å; F415-P449 WeakPolarHBondContact CZ-O 3.12Å; F415-L494 HydrophobicContact CB-CB 3.95Å; F415-L494 HydrophobicContact CB-CD1 4.31Å
416	Y	95.3	Very high	95.2	Very high	84 Å²	84	25.8 Å²	25.8	33%	0.329	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.4	175.4	-177.5	-96.4	0	0	0	109.7	P144 A435 S436 L494 G495	P144-Y416 HydrophobicContact CB-CD1 3.92Å; P144-Y416 HydrophobicContact CB-CD2 4.11Å; P144-Y416 HydrophobicContact CB-CE1 3.66Å; P144-Y416 HydrophobicContact CB-CE2 3.85Å; P144-Y416 HydrophobicContact CB-CG 4.15Å; P144-Y416 HydrophobicContact CG-CD2 4.06Å; P144-Y416 HydrophobicContact CG-CE1 4.42Å; P144-Y416 HydrophobicContact CG-CE2 3.69Å; Y416-A435 HydrophobicContact CE1-CB 4.33Å; Y416-S436 WeakPolarHBondContact CA-O 3.46Å; Y416-S436 WeakPolarHBondContact CD2-O 3.45Å; Y416-L494 CarbonylContact O-C 3.55Å; Y416-G495 PolarHBondContact O-N 3.5Å
417	G	95.1	Very high	94.6	Very high	13 Å²	13	26.9 Å²	26.9	13%	0.134	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-161.9	177.6	0	0	0	0	0	113.1	A435 S436	G417-A435 WeakPolarHBondContact O-CA 3.37Å; G417-S436 PolarHBondContact N-O 2.87Å; G417-S436 PolarHBondContact O-N 3.43Å
418	T	95.8	Very high	94.2	Very high	35 Å²	35	31.4 Å²	31.4	22%	0.215	17%	0.172	C	C	.	.			trans	-110.5	147.6	178.9	60.8	0	0	0	0	111.5	T433 A435 R499	T418-T433 VanDerWaalsContact CG2-O 3.27Å; T418-T433 WeakPolarHBondContact CG2-O 3.46Å; T418-A435 HydrophobicContact CG2-CB 4.13Å; T418-R499 PolarHBondContact O-NH2 3.31Å; T418-R499 PolarHBondContact OG1-NH2 2.91Å; T418-R499 VanDerWaalsContact OG1-NH2 3.13Å
419	S	95.3	Very high	93.9	Very high	8 Å²	8	37.9 Å²	37.9	6%	0.056	20%	0.203	C	C	.	.			trans	-90.9	148.6	169.2	-70.3	0	0	0	0	110.2	S432 T433 Q492 L494	S419-S432 CarbonylContact O-C 3.6Å; S419-S432 WeakPolarHBondContact O-CA 3.41Å; S419-T433 PolarHBondContact N-OG1 3.07Å; S419-T433 PolarHBondContact O-N 2.9Å; S419-T433 PolarHBondContact O-OG1 3.39Å; S419-Q492 PolarHBondContact OG-OE1 2.8Å; S419-L494 WeakPolarHBondContact OG-CD2 3.36Å
420	L	95.3	Very high	93.6	Very high	48 Å²	48	39.9 Å²	39.9	25%	0.251	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.2	170.1	-68.6	179.2	0	0	0	109	V431 V507 V508 Q509	L420-V431 WeakPolarHBondContact CA-O 3.48Å; L420-V507 HydrophobicContact CD1-CG1 3.93Å; L420-V508 HydrophobicContact CB-CG2 4.35Å; L420-Q509 PolarHBondContact O-N 2.99Å
421	V	94.8	Very high	93.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.6	-172.9	179.4	0	0	0	0	110.4	V104 P430 V431 T433 W487 Q509	V104-V421 HydrophobicContact CG1-CG1 3.96Å; V421-P430 CarbonylContact O-C 3.46Å; V421-P430 WeakPolarHBondContact O-CA 3.34Å; V421-V431 PolarHBondContact N-O 2.74Å; V421-V431 PolarHBondContact O-N 2.61Å; V421-T433 HydrophobicContact CB-CG2 4.31Å; V421-T433 HydrophobicContact CG2-CG2 3.43Å; V421-T433 VanDerWaalsContact CG2-CG2 3.43Å; V421-W487 HydrophobicContact CB-CH2 4.47Å; V421-W487 HydrophobicContact CB-CZ3 4.47Å; V421-W487 HydrophobicContact CG1-CH2 3.82Å; V421-W487 HydrophobicContact CG1-CZ3 3.77Å; V421-W487 HydrophobicContact CG2-CH2 3.82Å; V421-W487 HydrophobicContact CG2-CZ3 3.78Å; V421-Q509 CarbonylContact C-O 3.6Å; V421-Q509 VanDerWaalsContact CA-O 3.29Å; V421-Q509 WeakPolarHBondContact CA-O 3.19Å
422	R	93.7	Very high	93.3	Very high	123 Å²	123	45 Å²	45	46%	0.464	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.4	167.2	-178.6	-178.3	-71.4	158.1	1.4	109.1	P428 V508 Q509 S510 S511	R422-P428 PolarHBondContact NE-O 3.24Å; R422-V508 HydrophobicContact CB-CG1 3.72Å; R422-Q509 PolarHBondContact N-O 3.08Å; R422-S510 WeakPolarHBondContact O-CA 3.37Å; R422-S511 PolarHBondContact O-N 3.09Å; R422-S511 VanDerWaalsContact O-N 3.08Å
423	S	91.9	Very high	93.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.9	178.9	177.6	0	0	0	0	110.4	D425 I426 G427 S511	S423-D425 PolarHBondContact O-N 3.37Å; S423-D425 PolarHBondContact OG-N 3.47Å; S423-I426 PolarHBondContact O-N 2.57Å; S423-I426 VanDerWaalsContact O-N 3.12Å; S423-G427 PolarHBondContact O-N 3.03Å; S423-G427 VanDerWaalsContact O-O 3.12Å; S423-S511 WeakPolarHBondContact CB-OG 3.18Å; S423-S511 PolarHBondContact OG-OG 3.25Å
424	P	88	Confident	93	Very high	80 Å²	80	48.6 Å²	48.6	52%	0.519	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.9	171.5	-22.9	32.2	0	0	0	113.5	I426 E512	P424-I426 VanDerWaalsContact C-N 3.33Å; P424-E512 HydrophobicContact CG-CG 3.9Å; P424-E512 VanDerWaalsContact CG-OE2 3.3Å; P424-E512 WeakPolarHBondContact CG-OE2 3.49Å
425	D	86.9	Confident	92.9	Very high	56 Å²	56	50.7 Å²	50.7	30%	0.299	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.9	-178.5	-58.2	-40.2	0	0	0	112.4	Q100 A101 S423	Q100-D425 HydrophobicContact CB-CB 4.13Å; A101-D425 HydrophobicContact CB-CB 4.45Å; A101-D425 WeakPolarHBondContact CB-O 3.45Å; S423-D425 PolarHBondContact O-N 3.37Å; S423-D425 PolarHBondContact OG-N 3.47Å
426	I	87.8	Confident	92.8	Very high	54 Å²	54	50.2 Å²	50.2	28%	0.277	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-48.1	-177.6	-57.9	174	0	0	0	110.8	A101 V104 I105 S423 P424 V431	A101-I426 HydrophobicContact CB-CG1 3.94Å; V104-I426 HydrophobicContact CB-CD1 4.03Å; V104-I426 HydrophobicContact CG1-CD1 3.8Å; I105-I426 HydrophobicContact CG2-CD1 3.74Å; S423-I426 PolarHBondContact O-N 2.57Å; S423-I426 VanDerWaalsContact O-N 3.12Å; P424-I426 VanDerWaalsContact C-N 3.33Å; I426-V431 HydrophobicContact CD1-CG2 3.7Å; I426-V431 HydrophobicContact CG2-CG1 4.03Å; I426-V431 HydrophobicContact CG2-CG2 4.26Å
427	G	87.6	Confident	92.7	Very high	24 Å²	24	47.3 Å²	47.3	25%	0.247	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.6	-177.7	-173.6	0	0	0	0	0	113.4	S423	S423-G427 PolarHBondContact O-N 3.03Å; S423-G427 VanDerWaalsContact O-O 3.12Å
428	P	88.7	Confident	92.8	Very high	99 Å²	99	46.7 Å²	46.7	64%	0.643	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	-27.8	-174.7	28.7	-34.6	0	0	0	113.5	R422	R422-P428 PolarHBondContact NE-O 3.24Å
429	E	92.2	Very high	92.9	Very high	138 Å²	138	45 Å²	45	65%	0.645	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.2	-176.3	-63.9	-52.3	137.7	0	0	111.8
430	P	93.2	Very high	93	Very high	43 Å²	43	44.7 Å²	44.7	28%	0.279	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	140.6	173.7	-18.5	31.6	0	0	0	112.1	V421 V508	V421-P430 CarbonylContact O-C 3.46Å; V421-P430 WeakPolarHBondContact O-CA 3.34Å; P430-V508 HydrophobicContact CB-CG1 3.91Å; P430-V508 HydrophobicContact CB-CG2 3.89Å; P430-V508 HydrophobicContact CG-CB 4.47Å; P430-V508 HydrophobicContact CG-CG1 3.93Å; P430-V508 HydrophobicContact CG-CG2 3.67Å
431	V	94.7	Very high	93.2	Very high	44 Å²	44	42.4 Å²	42.4	27%	0.267	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151	175.8	-63.2	0	0	0	0	111.2	I105 L420 V421 I426	I105-V431 HydrophobicContact CG2-CG2 3.65Å; L420-V431 WeakPolarHBondContact CA-O 3.48Å; V421-V431 PolarHBondContact N-O 2.74Å; V421-V431 PolarHBondContact O-N 2.61Å; I426-V431 HydrophobicContact CD1-CG2 3.7Å; I426-V431 HydrophobicContact CG2-CG1 4.03Å; I426-V431 HydrophobicContact CG2-CG2 4.26Å
432	S	94.8	Very high	93.3	Very high	69 Å²	69	42.6 Å²	42.6	48%	0.483	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.6	173.9	-66.8	0	0	0	0	111.1	S419	S419-S432 CarbonylContact O-C 3.6Å; S419-S432 WeakPolarHBondContact O-CA 3.41Å
433	T	94.2	Very high	93.5	Very high	20 Å²	20	36.8 Å²	36.8	12%	0.123	22%	0.223	C	C	.	.			trans	-77	179.4	166.6	64.3	0	0	0	0	111.3	T418 S419 V421	T418-T433 VanDerWaalsContact CG2-O 3.27Å; T418-T433 WeakPolarHBondContact CG2-O 3.46Å; S419-T433 PolarHBondContact N-OG1 3.07Å; S419-T433 PolarHBondContact O-N 2.9Å; S419-T433 PolarHBondContact O-OG1 3.39Å; V421-T433 HydrophobicContact CB-CG2 4.31Å; V421-T433 HydrophobicContact CG2-CG2 3.43Å; V421-T433 VanDerWaalsContact CG2-CG2 3.43Å
434	W	94.8	Very high	93.7	Very high	56 Å²	56	36.8 Å²	36.8	21%	0.212	22%	0.223	C	C	.	.			trans	-59.3	154.9	165.1	65.5	96.6	0	0	0	111.2	I105 T106 P107 L481 N483	I105-W434 VanDerWaalsContact O-CE3 3.3Å; T106-W434 WeakPolarHBondContact O-CZ3 3.49Å; P107-W434 HydrophobicContact CB-CD2 3.88Å; P107-W434 HydrophobicContact CB-CE3 4.32Å; P107-W434 HydrophobicContact CB-CG 4.38Å; P107-W434 HydrophobicContact CB-CH2 4.25Å; P107-W434 HydrophobicContact CB-CZ2 3.76Å; P107-W434 HydrophobicContact CB-CZ3 4.49Å; P107-W434 HydrophobicContact CG-CD2 4.11Å; P107-W434 HydrophobicContact CG-CE3 4.45Å; P107-W434 HydrophobicContact CG-CG 4.31Å; W434-L481 WeakPolarHBondContact CZ2-O 3.31Å; W434-N483 HydrophobicContact CH2-CB 3.66Å; W434-N483 HydrophobicContact CZ3-CB 4.09Å
435	A	94.2	Very high	94.1	Very high	49 Å²	49	33.7 Å²	33.7	41%	0.405	20%	0.201	S	C	.	.			trans	-73.8	132.4	172.8	0	0	0	0	0	109.9	Y416 G417 T418	Y416-A435 HydrophobicContact CE1-CB 4.33Å; G417-A435 WeakPolarHBondContact O-CA 3.37Å; T418-A435 HydrophobicContact CG2-CB 4.13Å
436	S	94.1	Very high	94.4	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	162.4	178.7	-161.8	0	0	0	0	111.3	Y416 G417 L481	Y416-S436 WeakPolarHBondContact CA-O 3.46Å; Y416-S436 WeakPolarHBondContact CD2-O 3.45Å; G417-S436 PolarHBondContact N-O 2.87Å; G417-S436 PolarHBondContact O-N 3.43Å; S436-L481 WeakPolarHBondContact OG-CD2 3.35Å
437	S	94.5	Very high	94.6	Very high	23 Å²	23	32 Å²	32	16%	0.161	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	153.7	172.1	53	0	0	0	0	111.8	F415	F415-S437 CarbonylContact O-C 3.53Å; F415-S437 WeakPolarHBondContact O-CA 3.46Å
438	L	97.2	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.1	169	-178.5	58.2	0	0	0	110.1	F414 F415 T440 S477 W478 L481 Q492 L494	F414-L438 WeakPolarHBondContact CA-O 3.41Å; F415-L438 HydrophobicContact CB-CB 4.48Å; F415-L438 HydrophobicContact CD2-CB 4.48Å; F415-L438 WeakPolarHBondContact CD2-O 3Å; F415-L438 PolarHBondContact N-O 3.06Å; F415-L438 PolarHBondContact O-N 2.83Å; L438-T440 HydrophobicContact CD1-CG2 4.32Å; L438-T440 HydrophobicContact CD2-CG2 3.63Å; L438-T440 HydrophobicContact CG-CG2 3.61Å; L438-S477 WeakPolarHBondContact CA-OG 3.5Å; L438-W478 HydrophobicContact CD1-CD2 4.03Å; L438-W478 HydrophobicContact CD1-CG 4Å; L438-W478 HydrophobicContact CD2-CH2 4.29Å; L438-W478 HydrophobicContact CD2-CZ2 4Å; L438-L481 HydrophobicContact CB-CD1 4.26Å; L438-L481 HydrophobicContact CD1-CD1 3.8Å; L438-L481 HydrophobicContact CD2-CD1 4.03Å; L438-L481 HydrophobicContact CG-CD1 4.24Å; L438-Q492 HydrophobicContact CD2-CB 3.52Å; L438-Q492 HydrophobicContact CD2-CG 3.75Å; L438-L494 HydrophobicContact CB-CD1 3.8Å
439	F	96.6	Very high	95.1	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.8	168.5	-176	-109.6	0	0	0	108.9	Y131 I412 G413 F414 L470 E473 T474 S477	Y131-F439 AromaticContact CD1-CE2 3.82Å; Y131-F439 HydrophobicContact CD1-CE2 3.82Å; Y131-F439 AromaticContact CE1-CE2 3.45Å; Y131-F439 HydrophobicContact CE1-CE2 3.45Å; Y131-F439 VanDerWaalsContact CE1-CE2 3.45Å; Y131-F439 AromaticContact CE1-CZ 3.92Å; Y131-F439 HydrophobicContact CE1-CZ 3.92Å; Y131-F439 HydrophobicContact CE2-CE2 4.2Å; Y131-F439 HydrophobicContact CG-CE2 4.36Å; Y131-F439 AromaticContact CZ-CE2 3.65Å; I412-F439 HydrophobicContact CG2-CD2 4.08Å; I412-F439 HydrophobicContact CG2-CE1 4.04Å; I412-F439 HydrophobicContact CG2-CE2 3.44Å; I412-F439 VanDerWaalsContact CG2-CE2 3.44Å; I412-F439 HydrophobicContact CG2-CZ 3.43Å; I412-F439 VanDerWaalsContact CG2-CZ 3.43Å; G413-F439 WeakPolarHBondContact O-CA 3.43Å; F414-F439 HydrophobicContact CB-CD2 4.35Å; F414-F439 HydrophobicContact CD2-CB 4.38Å; F414-F439 HydrophobicContact CD2-CD2 4.43Å; F439-L470 HydrophobicContact CE1-CD2 4.07Å; F439-L470 HydrophobicContact CZ-CD2 4.31Å; F439-E473 HydrophobicContact CD1-CB 4.17Å; F439-E473 HydrophobicContact CE1-CB 4.35Å; F439-T474 HydrophobicContact CD1-CG2 4.15Å; F439-T474 HydrophobicContact CE1-CG2 4.39Å; F439-T474 WeakPolarHBondContact O-CA 3.5Å; F439-S477 PolarHBondContact N-OG 3.43Å
440	T	98.3	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152.7	-167.3	-169.4	0	0	0	0	112.5	I412 G413 F415 L438 E456 W478	I412-T440 CarbonylContact C-O 3.6Å; I412-T440 WeakPolarHBondContact CA-O 3.39Å; G413-T440 PolarHBondContact N-O 3.27Å; G413-T440 PolarHBondContact O-N 3.21Å; G413-T440 VanDerWaalsContact O-N 3.11Å; F415-T440 HydrophobicContact CD2-CG2 4.04Å; F415-T440 HydrophobicContact CE2-CG2 3.71Å; L438-T440 HydrophobicContact CD1-CG2 4.32Å; L438-T440 HydrophobicContact CD2-CG2 3.63Å; L438-T440 HydrophobicContact CG-CG2 3.61Å; T440-E456 WeakPolarHBondContact CA-OE1 3.29Å; T440-E456 WeakPolarHBondContact CB-OE1 3.44Å; T440-E456 PolarHBondContact OG1-OE1 3.02Å; T440-E456 PolarHBondContact OG1-OE2 3.02Å; T440-E456 VanDerWaalsContact OG1-OE2 3.08Å; T440-W478 PolarHBondContact OG1-NE1 2.92Å
441	A	98.1	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.			trans	-71.5	157.7	165.4	0	0	0	0	0	111.4	L408 I412 E456 H459	L408-A441 HydrophobicContact CD1-CB 3.93Å; I412-A441 HydrophobicContact CG1-CB 4.15Å; A441-E456 WeakPolarHBondContact CB-OE2 3.37Å; A441-E456 PolarHBondContact N-OE1 3.11Å; A441-E456 PolarHBondContact N-OE2 3.3Å; A441-H459 HydrophobicContact CB-CB 3.86Å
442	T	97.8	Very high	95.7	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.031	11%	0.111	C	C	.	.			trans	-117.7	141	-179.5	58.5	0	0	0	0	110.9	P133 G411 F415 S444 F448	P133-T442 HydrophobicContact CB-CG2 4.3Å; P133-T442 HydrophobicContact CG-CG2 3.67Å; G411-T442 PolarHBondContact O-N 2.84Å; G411-T442 PolarHBondContact O-OG1 3.05Å; F415-T442 HydrophobicContact CE2-CG2 4.27Å; F415-T442 HydrophobicContact CZ-CG2 3.87Å; T442-S444 VanDerWaalsContact C-N 3.33Å; T442-S444 PolarHBondContact O-N 3.06Å; T442-F448 WeakPolarHBondContact CB-O 3.46Å
443	P	97.7	Very high	95.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	9%	0.088	C	C	.	.	S	Bend	trans	-62.7	-39.8	-178.7	-22.8	32	0	0	0	113.1	F448 R450 F452 D455 F862 G864	P443-F448 HydrophobicContact CB-CB 4.02Å; P443-F448 HydrophobicContact CB-CD2 4.24Å; P443-F448 HydrophobicContact CB-CG 4.49Å; P443-F448 WeakPolarHBondContact CD-O 3.44Å; P443-F448 HydrophobicContact CG-CB 4.11Å; P443-R450 WeakPolarHBondContact CD-O 3.22Å; P443-F452 HydrophobicContact CG-CB 4.17Å; P443-F452 HydrophobicContact CG-CD2 3.71Å; P443-F452 HydrophobicContact CG-CE2 4.44Å; P443-F452 HydrophobicContact CG-CG 4.16Å; P443-D455 HydrophobicContact CG-CB 3.92Å; P443-D455 WeakPolarHBondContact CG-OD1 3.44Å; P443-F862 HydrophobicContact CB-CD2 4.46Å; P443-F862 HydrophobicContact CB-CE1 4.44Å; P443-F862 HydrophobicContact CB-CE2 3.63Å; P443-F862 HydrophobicContact CB-CZ 3.61Å; P443-F862 WeakPolarHBondContact O-CA 3.24Å; P443-G864 PolarHBondContact O-N 2.95Å
444	S	96.8	Very high	96	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-148.8	130.1	178.9	176.4	0	0	0	0	110.6	T442 L446 N447 F448 P449 P861	T442-S444 VanDerWaalsContact C-N 3.33Å; T442-S444 PolarHBondContact O-N 3.06Å; S444-L446 PolarHBondContact O-N 3.05Å; S444-L446 PolarHBondContact OG-N 3.22Å; S444-N447 PolarHBondContact OG-N 3.04Å; S444-F448 CarbonylContact O-C 3.59Å; S444-F448 WeakPolarHBondContact O-CA 3.4Å; S444-F448 PolarHBondContact O-N 2.85Å; S444-F448 VanDerWaalsContact O-O 3.1Å; S444-P449 VanDerWaalsContact O-N 3.13Å; S444-P861 WeakPolarHBondContact CA-O 3.42Å; S444-P861 VanDerWaalsContact CB-O 3.25Å; S444-P861 WeakPolarHBondContact CB-O 3.39Å; S444-P861 PolarHBondContact OG-O 2.86Å
445	R	95.9	Very high	96.2	Very high	14 Å²	14	13.4 Å²	13.4	5%	0.053	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.2	174.8	-72.8	-179.7	59.4	-163.8	1.4	113.8	P133 G134 I135 Y136 Y176	P133-R445 HydrophobicContact CB-CG 4.05Å; P133-R445 WeakPolarHBondContact O-CB 3.3Å; P133-R445 WeakPolarHBondContact O-CG 3.45Å; P133-R445 PolarHBondContact O-NE 2.91Å; G134-R445 WeakPolarHBondContact CA-O 3.4Å; I135-R445 PolarHBondContact O-NH2 2.77Å; Y136-R445 VanDerWaalsContact C-NH2 3.32Å; Y136-R445 PolarHBondContact O-NH2 2.89Å; Y176-R445 HydrophobicContact CE2-CB 4.44Å
446	L	93.9	Very high	96.4	Very high	25 Å²	25	11 Å²	11	13%	0.131	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-61.8	-179.7	-172.6	121.9	0	0	0	111.6	C167 Q169 S444	C167-L446 HydrophobicContact CB-CB 4.26Å; C167-L446 HydrophobicContact CB-CD1 4.11Å; Q169-L446 HydrophobicContact CB-CD1 4.19Å; Q169-L446 HydrophobicContact CB-CD2 4.3Å; S444-L446 PolarHBondContact O-N 3.05Å; S444-L446 PolarHBondContact OG-N 3.22Å
447	N	90.4	Very high	96.6	Very high	49 Å²	49	10.6 Å²	10.6	26%	0.262	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-33.7	-170.3	-63.4	-68.4	0	0	0	112.7	S444 P449 R450 G859 H860	S444-N447 PolarHBondContact OG-N 3.04Å; N447-P449 VanDerWaalsContact C-CD 3.46Å; N447-R450 PolarHBondContact O-NH1 2.88Å; N447-G859 WeakPolarHBondContact ND2-CA 3.37Å; N447-H860 PolarHBondContact ND2-N 3.45Å; N447-H860 PolarHBondContact ND2-O 3.46Å
448	F	92.8	Very high	96.8	Very high	46 Å²	46	9.5 Å²	9.5	20%	0.202	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-133.9	52.1	-167	-52.8	-58.7	0	0	0	112.5	T442 P443 S444 R450 F452 F862	T442-F448 WeakPolarHBondContact CB-O 3.46Å; P443-F448 HydrophobicContact CB-CB 4.02Å; P443-F448 HydrophobicContact CB-CD2 4.24Å; P443-F448 HydrophobicContact CB-CG 4.49Å; P443-F448 WeakPolarHBondContact CD-O 3.44Å; P443-F448 HydrophobicContact CG-CB 4.11Å; S444-F448 CarbonylContact O-C 3.59Å; S444-F448 WeakPolarHBondContact O-CA 3.4Å; S444-F448 PolarHBondContact O-N 2.85Å; S444-F448 VanDerWaalsContact O-O 3.1Å; F448-R450 PolarHBondContact O-N 2.88Å; F448-F452 HydrophobicContact CB-CD2 4.4Å; F448-F452 HydrophobicContact CB-CE2 3.75Å; F448-F452 HydrophobicContact CB-CZ 4.42Å; F448-F452 AromaticContact CD1-CE2 3.95Å; F448-F452 HydrophobicContact CD1-CE2 3.95Å; F448-F452 AromaticContact CD1-CZ 3.75Å; F448-F452 HydrophobicContact CD1-CZ 3.75Å; F448-F452 HydrophobicContact CE1-CZ 4.44Å; F448-F452 HydrophobicContact CG-CE2 4.14Å; F448-F452 HydrophobicContact CG-CZ 4.35Å; F448-F862 HydrophobicContact CD2-CD2 4.41Å; F448-F862 HydrophobicContact CD2-CE2 4Å; F448-F862 HydrophobicContact CE2-CE2 4.17Å
449	P	95.6	Very high	96.9	Very high	8 Å²	8	9.5 Å²	9.5	5%	0.052	5%	0.046	C	C	.	.			trans	-78.3	52.5	-176.4	34.4	-38	0	0	0	112	G134 F415 S444 N447 K501	G134-P449 VanDerWaalsContact CA-CB 3.47Å; F415-P449 VanDerWaalsContact CE1-O 3.26Å; F415-P449 WeakPolarHBondContact CE1-O 3.46Å; F415-P449 WeakPolarHBondContact CZ-O 3.12Å; S444-P449 VanDerWaalsContact O-N 3.13Å; N447-P449 VanDerWaalsContact C-CD 3.46Å; P449-K501 HydrophobicContact CG-CB 4.39Å; P449-K501 HydrophobicContact CG-CG 4.14Å
450	R	96.4	Very high	97	Very high	14 Å²	14	9.5 Å²	9.5	5%	0.053	5%	0.046	C	C	.	.	S	Bend	trans	-159.1	167.7	-174	63.4	-166.2	179.1	-84.6	0.2	110.9	P443 N447 F448 F452 E491 V502	P443-R450 WeakPolarHBondContact CD-O 3.22Å; N447-R450 PolarHBondContact O-NH1 2.88Å; F448-R450 PolarHBondContact O-N 2.88Å; R450-F452 HydrophobicContact CG-CD2 4.25Å; R450-F452 HydrophobicContact CG-CE2 3.65Å; R450-F452 HydrophobicContact CG-CZ 4.49Å; R450-E491 IonicContact CZ-OE1 3.63Å; R450-E491 IonicContact NE-OE1 2.78Å; R450-E491 PolarHBondContact NE-OE1 3.37Å; R450-E491 IonicContact NH2-OE1 2.85Å; R450-E491 PolarHBondContact NH2-OE1 3.09Å; R450-V502 VanDerWaalsContact CZ-CG2 3.42Å
451	G	97.7	Very high	97	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.9	-177.7	0	0	0	0	0	113.1	Q492	G451-Q492 PolarHBondContact O-N 3.28Å
452	F	97.9	Very high	97	Very high	16 Å²	16	9.9 Å²	9.9	7%	0.07	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	167.7	-75.2	-103.5	0	0	0	109.5	P443 F448 R450 W454 D455 E456 W478 R490 E491	P443-F452 HydrophobicContact CG-CB 4.17Å; P443-F452 HydrophobicContact CG-CD2 3.71Å; P443-F452 HydrophobicContact CG-CE2 4.44Å; P443-F452 HydrophobicContact CG-CG 4.16Å; F448-F452 HydrophobicContact CB-CD2 4.4Å; F448-F452 HydrophobicContact CB-CE2 3.75Å; F448-F452 HydrophobicContact CB-CZ 4.42Å; F448-F452 AromaticContact CD1-CE2 3.95Å; F448-F452 HydrophobicContact CD1-CE2 3.95Å; F448-F452 AromaticContact CD1-CZ 3.75Å; F448-F452 HydrophobicContact CD1-CZ 3.75Å; F448-F452 HydrophobicContact CE1-CZ 4.44Å; F448-F452 HydrophobicContact CG-CE2 4.14Å; F448-F452 HydrophobicContact CG-CZ 4.35Å; R450-F452 HydrophobicContact CG-CD2 4.25Å; R450-F452 HydrophobicContact CG-CE2 3.65Å; R450-F452 HydrophobicContact CG-CZ 4.49Å; F452-W454 PolarHBondContact O-N 3.12Å; F452-D455 HydrophobicContact CB-CB 3.9Å; F452-D455 WeakPolarHBondContact CB-OD2 3.34Å; F452-D455 PolarHBondContact O-N 2.99Å; F452-E456 PolarHBondContact O-N 3.47Å; F452-E456 VanDerWaalsContact O-N 3.09Å; F452-W478 VanDerWaalsContact C-CH2 3.45Å; F452-R490 WeakPolarHBondContact CA-O 3.42Å; F452-E491 HydrophobicContact CD1-CB 4.38Å; F452-E491 HydrophobicContact CD1-CG 4.14Å; F452-E491 HydrophobicContact CE1-CB 4.25Å; F452-E491 VanDerWaalsContact CE1-CD 3.42Å; F452-E491 HydrophobicContact CE1-CG 3.68Å; F452-E491 WeakPolarHBondContact CE1-OE2 3.38Å; F452-E491 HydrophobicContact CE2-CG 4.17Å; F452-E491 HydrophobicContact CZ-CG 3.7Å; F452-E491 WeakPolarHBondContact CZ-OE1 3.13Å
453	L	98.2	Very high	97	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-61.8	-47.5	-167	177.7	59.1	0	0	0	111.9	W478 I488 R490 N515 L519 W555	L453-W478 VanDerWaalsContact CA-CH2 3.48Å; L453-W478 HydrophobicContact CB-CE3 4.3Å; L453-W478 HydrophobicContact CB-CH2 3.98Å; L453-W478 HydrophobicContact CB-CZ3 3.7Å; L453-W478 HydrophobicContact CD1-CD2 4.08Å; L453-W478 HydrophobicContact CD1-CE3 3.55Å; L453-W478 HydrophobicContact CD1-CZ3 3.86Å; L453-W478 HydrophobicContact CG-CE3 4.5Å; L453-W478 HydrophobicContact CG-CZ3 4.34Å; L453-W478 VanDerWaalsContact N-CH2 3.25Å; L453-I488 HydrophobicContact CD1-CG2 4.09Å; L453-I488 HydrophobicContact CD2-CB 4.07Å; L453-I488 HydrophobicContact CD2-CG2 4.06Å; L453-R490 PolarHBondContact N-O 3.11Å; L453-N515 HydrophobicContact CD2-CB 4.25Å; L453-L519 HydrophobicContact CD1-CD1 3.74Å; L453-L519 HydrophobicContact CD1-CG 4.08Å; L453-W555 HydrophobicContact CD1-CZ2 4.49Å; L453-W555 HydrophobicContact CD2-CZ2 4.26Å
454	W	98.1	Very high	97	Very high	11 Å²	11	9.6 Å²	9.6	4%	0.042	5%	0.046	C	C	.	.	H	α-helix	trans	-77.1	-31.3	-177	89.4	-65	0	0	0	112.9	F452 E456 F458 N515 P516 S518 G592 W787 N794 W865	F452-W454 PolarHBondContact O-N 3.12Å; W454-E456 VanDerWaalsContact C-N 3.3Å; W454-E456 PolarHBondContact O-N 2.97Å; W454-F458 HydrophobicContact CE3-CD2 4.33Å; W454-F458 AromaticContact CE3-CE2 3.58Å; W454-F458 HydrophobicContact CE3-CE2 3.58Å; W454-F458 HydrophobicContact CZ3-CD2 4.47Å; W454-F458 AromaticContact CZ3-CE2 3.59Å; W454-F458 HydrophobicContact CZ3-CE2 3.59Å; W454-F458 HydrophobicContact CZ3-CZ 4.3Å; W454-F458 WeakPolarHBondContact O-CD2 3.45Å; W454-N515 WeakPolarHBondContact CB-OD1 3.21Å; W454-N515 VanDerWaalsContact CD1-OD1 3.32Å; W454-P516 HydrophobicContact CB-CB 4.09Å; W454-P516 HydrophobicContact CB-CG 4.24Å; W454-P516 HydrophobicContact CE3-CB 4.5Å; W454-P516 HydrophobicContact CE3-CG 4.24Å; W454-S518 WeakPolarHBondContact CA-OG 3.45Å; W454-S518 WeakPolarHBondContact O-CB 3.26Å; W454-S518 PolarHBondContact O-OG 2.99Å; W454-G592 WeakPolarHBondContact CZ2-O 3.1Å; W454-W787 AromaticContact CH2-CH2 3.88Å; W454-W787 HydrophobicContact CH2-CH2 3.88Å; W454-W787 AromaticContact CH2-CZ2 3.99Å; W454-W787 HydrophobicContact CH2-CZ2 3.99Å; W454-W787 HydrophobicContact CZ2-CH2 4.44Å; W454-W787 HydrophobicContact CZ2-CZ2 4.13Å; W454-N794 WeakPolarHBondContact CH2-ND2 3.27Å; W454-N794 WeakPolarHBondContact CZ3-ND2 3.44Å; W454-W865 AromaticContact CE2-CZ3 3.63Å; W454-W865 HydrophobicContact CH2-CE3 4.28Å; W454-W865 HydrophobicContact CH2-CH2 4.3Å; W454-W865 AromaticContact CH2-CZ3 3.74Å; W454-W865 HydrophobicContact CH2-CZ3 3.74Å; W454-W865 HydrophobicContact CZ2-CE3 4.01Å; W454-W865 AromaticContact CZ2-CH2 3.62Å; W454-W865 HydrophobicContact CZ2-CH2 3.62Å; W454-W865 AromaticContact CZ2-CZ3 3.1Å; W454-W865 HydrophobicContact CZ2-CZ3 3.1Å
455	D	98.7	Very high	97	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.032	5%	0.052	C	C	.	.	H	α-helix	trans	-61.7	-40	173.6	-60.9	-117.7	0	0	0	111	P443 F452 G457 F458 H459 W865	P443-D455 HydrophobicContact CG-CB 3.92Å; P443-D455 WeakPolarHBondContact CG-OD1 3.44Å; F452-D455 HydrophobicContact CB-CB 3.9Å; F452-D455 WeakPolarHBondContact CB-OD2 3.34Å; F452-D455 PolarHBondContact O-N 2.99Å; D455-G457 VanDerWaalsContact C-N 3.27Å; D455-G457 PolarHBondContact O-N 3.44Å; D455-F458 WeakPolarHBondContact O-CA 3.31Å; D455-F458 WeakPolarHBondContact O-CB 3.5Å; D455-F458 PolarHBondContact O-N 3.37Å; D455-H459 PolarHBondContact O-CD2 3.19Å; D455-H459 PolarHBondContact O-N 3Å; D455-W865 WeakPolarHBondContact OD1-CZ3 3.35Å
456	E	98.7	Very high	97.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.9	-33.4	-175.4	-167.1	73.5	158.3	0	0	113	T440 A441 F452 W454 F458 H459 G460 T474 W478 L519	T440-E456 WeakPolarHBondContact CA-OE1 3.29Å; T440-E456 WeakPolarHBondContact CB-OE1 3.44Å; T440-E456 PolarHBondContact OG1-OE1 3.02Å; T440-E456 PolarHBondContact OG1-OE2 3.02Å; T440-E456 VanDerWaalsContact OG1-OE2 3.08Å; A441-E456 WeakPolarHBondContact CB-OE2 3.37Å; A441-E456 PolarHBondContact N-OE1 3.11Å; A441-E456 PolarHBondContact N-OE2 3.3Å; F452-E456 PolarHBondContact O-N 3.47Å; F452-E456 VanDerWaalsContact O-N 3.09Å; W454-E456 VanDerWaalsContact C-N 3.3Å; W454-E456 PolarHBondContact O-N 2.97Å; E456-F458 PolarHBondContact O-N 2.98Å; E456-H459 PolarHBondContact O-N 3.31Å; E456-H459 IonicContact OE2-CE1 3.51Å; E456-H459 IonicContact OE2-CG 3.52Å; E456-H459 IonicContact OE2-ND1 3.71Å; E456-H459 PolarHBondContact OE2-ND1 3.08Å; E456-G460 PolarHBondContact O-N 2.84Å; E456-T474 WeakPolarHBondContact OE1-CB 3.1Å; E456-T474 WeakPolarHBondContact OE1-CG2 3.26Å; E456-W478 HydrophobicContact CB-CZ2 4.4Å; E456-W478 VanDerWaalsContact CG-NE1 3.34Å; E456-L519 HydrophobicContact CB-CD2 3.93Å; E456-L519 HydrophobicContact CG-CD2 4.02Å
457	G	98.4	Very high	97.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.4	-31.7	173.6	0	0	0	0	0	113.5	D455 S518 T522	D455-G457 VanDerWaalsContact C-N 3.27Å; D455-G457 PolarHBondContact O-N 3.44Å; G457-S518 VanDerWaalsContact CA-C 3.45Å; G457-S518 VanDerWaalsContact CA-O 3.22Å; G457-S518 WeakPolarHBondContact CA-O 3.46Å; G457-S518 WeakPolarHBondContact CA-OG 3.36Å; G457-S518 PolarHBondContact N-OG 2.93Å; G457-T522 PolarHBondContact O-OG1 3.46Å
458	F	98.8	Very high	97.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-80.9	-38.9	174.4	-68.7	-70.3	0	0	0	112.2	W454 D455 E456 G460 L461 L521 N794 L798 W865 L868	W454-F458 HydrophobicContact CE3-CD2 4.33Å; W454-F458 AromaticContact CE3-CE2 3.58Å; W454-F458 HydrophobicContact CE3-CE2 3.58Å; W454-F458 HydrophobicContact CZ3-CD2 4.47Å; W454-F458 AromaticContact CZ3-CE2 3.59Å; W454-F458 HydrophobicContact CZ3-CE2 3.59Å; W454-F458 HydrophobicContact CZ3-CZ 4.3Å; W454-F458 WeakPolarHBondContact O-CD2 3.45Å; D455-F458 WeakPolarHBondContact O-CA 3.31Å; D455-F458 WeakPolarHBondContact O-CB 3.5Å; D455-F458 PolarHBondContact O-N 3.37Å; E456-F458 PolarHBondContact O-N 2.98Å; F458-G460 VanDerWaalsContact C-N 3.3Å; F458-G460 PolarHBondContact O-N 2.91Å; F458-L461 HydrophobicContact CD1-CD1 4.32Å; F458-L461 WeakPolarHBondContact O-CB 3.46Å; F458-L461 PolarHBondContact O-N 2.79Å; F458-L521 HydrophobicContact CD1-CD1 4.14Å; F458-L521 HydrophobicContact CE1-CD1 3.8Å; F458-L521 HydrophobicContact CZ-CD1 4.13Å; F458-N794 HydrophobicContact CD1-CB 3.95Å; F458-N794 HydrophobicContact CD2-CB 4.09Å; F458-N794 HydrophobicContact CE1-CB 3.84Å; F458-N794 HydrophobicContact CE2-CB 4Å; F458-N794 HydrophobicContact CG-CB 4.06Å; F458-N794 HydrophobicContact CZ-CB 3.87Å; F458-L798 HydrophobicContact CE1-CD1 4.03Å; F458-L798 HydrophobicContact CE1-CD2 4.24Å; F458-L798 HydrophobicContact CE1-CG 4.05Å; F458-L798 HydrophobicContact CZ-CD1 4.12Å; F458-W865 HydrophobicContact CB-CB 4Å; F458-W865 HydrophobicContact CG-CB 4.43Å; F458-L868 HydrophobicContact CB-CD1 4.01Å; F458-L868 HydrophobicContact CD1-CD1 3.7Å; F458-L868 HydrophobicContact CG-CD1 4.18Å
459	H	98.8	Very high	97.6	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-58.5	-45.7	172.8	-57.2	157.9	0	0	0	111	L408 A441 D455 E456 L461 I462 L463 G864	L408-H459 HydrophobicContact CD1-CB 4.02Å; L408-H459 HydrophobicContact CD2-CB 4.49Å; A441-H459 HydrophobicContact CB-CB 3.86Å; D455-H459 PolarHBondContact O-CD2 3.19Å; D455-H459 PolarHBondContact O-N 3Å; E456-H459 PolarHBondContact O-N 3.31Å; E456-H459 IonicContact OE2-CE1 3.51Å; E456-H459 IonicContact OE2-CG 3.52Å; E456-H459 IonicContact OE2-ND1 3.71Å; E456-H459 PolarHBondContact OE2-ND1 3.08Å; H459-L461 PolarHBondContact O-N 2.74Å; H459-L461 VanDerWaalsContact O-N 3.13Å; H459-I462 WeakPolarHBondContact O-CB 3.47Å; H459-I462 PolarHBondContact O-N 2.89Å; H459-L463 PolarHBondContact O-N 3.47Å; H459-L463 VanDerWaalsContact O-N 3.15Å; H459-G864 VanDerWaalsContact CD2-C 3.45Å; H459-G864 WeakPolarHBondContact NE2-CA 3.47Å
460	G	98.3	Very high	97.6	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-62.4	-21	-177.6	0	0	0	0	0	114	E456 F458 L463 A464 T522	E456-G460 PolarHBondContact O-N 2.84Å; F458-G460 VanDerWaalsContact C-N 3.3Å; F458-G460 PolarHBondContact O-N 2.91Å; G460-L463 PolarHBondContact O-N 3.39Å; G460-A464 WeakPolarHBondContact O-CB 3.5Å; G460-A464 PolarHBondContact O-N 3.15Å; G460-T522 VanDerWaalsContact C-OG1 3.31Å; G460-T522 WeakPolarHBondContact CA-OG1 3.5Å
461	L	98.5	Very high	97.6	Very high	7 Å²	7	6.1 Å²	6.1	4%	0.037	3%	0.029	C	C	.	.	H	α-helix	trans	-67.2	-36.8	172	-66.8	171.4	0	0	0	112.7	F458 H459 L521 A525 Y797 L868 L871	F458-L461 HydrophobicContact CD1-CD1 4.32Å; F458-L461 WeakPolarHBondContact O-CB 3.46Å; F458-L461 PolarHBondContact O-N 2.79Å; H459-L461 PolarHBondContact O-N 2.74Å; H459-L461 VanDerWaalsContact O-N 3.13Å; L461-L521 HydrophobicContact CD1-CB 4.39Å; L461-L521 HydrophobicContact CD2-CB 4.11Å; L461-L521 WeakPolarHBondContact CD2-O 3.46Å; L461-L521 HydrophobicContact CG-CB 4.38Å; L461-A525 HydrophobicContact CD2-CB 3.63Å; L461-Y797 HydrophobicContact CD1-CD1 4.18Å; L461-Y797 HydrophobicContact CD1-CE1 3.36Å; L461-L868 HydrophobicContact CB-CD2 4.01Å; L461-L868 HydrophobicContact CD1-CD2 3.98Å; L461-L871 HydrophobicContact CB-CD1 3.82Å
462	I	98.3	Very high	97.6	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-71.1	-47.5	173	-63.8	-74	0	0	0	109.2	F386 V405 L408 H459 A464 R465 W466 S867 L868 L871	F386-I462 HydrophobicContact CE1-CD1 4.23Å; F386-I462 HydrophobicContact CZ-CG2 4.1Å; V405-I462 HydrophobicContact CG1-CG2 4.23Å; V405-I462 HydrophobicContact CG2-CG2 3.94Å; L408-I462 HydrophobicContact CD2-CB 3.5Å; L408-I462 VanDerWaalsContact CD2-CB 3.5Å; L408-I462 HydrophobicContact CD2-CG1 3.97Å; L408-I462 HydrophobicContact CD2-CG2 3.52Å; H459-I462 WeakPolarHBondContact O-CB 3.47Å; H459-I462 PolarHBondContact O-N 2.89Å; I462-A464 VanDerWaalsContact C-N 3.34Å; I462-A464 PolarHBondContact O-N 3.5Å; I462-R465 PolarHBondContact O-N 3.38Å; I462-R465 VanDerWaalsContact O-N 3.08Å; I462-W466 PolarHBondContact O-N 3.48Å; I462-S867 WeakPolarHBondContact CD1-O 3.34Å; I462-L868 HydrophobicContact CG1-CD2 4.33Å; I462-L871 HydrophobicContact CD1-CD1 4.06Å; I462-L871 HydrophobicContact CD1-CD2 3.96Å; I462-L871 HydrophobicContact CD1-CG 3.56Å
463	L	98.2	Very high	97.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-59.1	-45.3	179.9	-58.7	-178.4	0	0	0	111.1	L408 L409 I412 H459 G460 R465 W466 D467 A471 T474	L408-L463 HydrophobicContact CD2-CD2 4.41Å; L409-L463 HydrophobicContact CD2-CD2 3.66Å; I412-L463 HydrophobicContact CD1-CD2 4.15Å; H459-L463 PolarHBondContact O-N 3.47Å; H459-L463 VanDerWaalsContact O-N 3.15Å; G460-L463 PolarHBondContact O-N 3.39Å; L463-R465 PolarHBondContact O-N 3.18Å; L463-R465 VanDerWaalsContact O-N 3.13Å; L463-W466 PolarHBondContact O-N 3.29Å; L463-W466 VanDerWaalsContact O-N 3.14Å; L463-D467 CarbonylContact O-C 3.53Å; L463-D467 PolarHBondContact O-N 3.28Å; L463-A471 HydrophobicContact CB-CB 3.86Å; L463-T474 HydrophobicContact CD1-CG2 3.85Å
464	A	97.7	Very high	97.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.5	-28.4	179.4	0	0	0	0	0	112.2	G460 I462 A471 A525 L526 R529	G460-A464 WeakPolarHBondContact O-CB 3.5Å; G460-A464 PolarHBondContact O-N 3.15Å; I462-A464 VanDerWaalsContact C-N 3.34Å; I462-A464 PolarHBondContact O-N 3.5Å; A464-A471 HydrophobicContact CB-CB 3.98Å; A464-A525 HydrophobicContact CB-CB 4.25Å; A464-L526 HydrophobicContact CB-CD2 3.89Å; A464-L526 HydrophobicContact CB-CG 4.09Å; A464-R529 WeakPolarHBondContact O-CD 3.26Å; A464-R529 PolarHBondContact O-NE 3.02Å
465	R	96.4	Very high	97.5	Very high	34 Å²	34	5.6 Å²	5.6	13%	0.128	3%	0.027	C	C	.	.	H	α-helix	trans	-82.4	-38.6	175.8	-172.2	159.2	-72.1	94.7	-22.7	113.5	R385 F386 I462 L463 R529 L871 D875	R385-R465 WeakPolarHBondContact CD-O 3.49Å; R385-R465 WeakPolarHBondContact O-CD 3.33Å; R385-R465 VanDerWaalsContact O-CG 3.32Å; R385-R465 WeakPolarHBondContact O-CG 3.08Å; F386-R465 HydrophobicContact CD1-CG 4.48Å; F386-R465 HydrophobicContact CE1-CB 4.33Å; F386-R465 HydrophobicContact CE1-CG 4.11Å; F386-R465 HydrophobicContact CZ-CB 4.19Å; F386-R465 HydrophobicContact CZ-CG 4.16Å; I462-R465 PolarHBondContact O-N 3.38Å; I462-R465 VanDerWaalsContact O-N 3.08Å; L463-R465 PolarHBondContact O-N 3.18Å; L463-R465 VanDerWaalsContact O-N 3.13Å; R465-R529 PolarHBondContact O-NH2 3.04Å; R465-L871 HydrophobicContact CB-CD2 4.32Å; R465-L871 VanDerWaalsContact CD-CD2 3.48Å; R465-L871 HydrophobicContact CG-CD2 4.4Å; R465-D875 IonicContact CZ-OD1 2.86Å; R465-D875 IonicContact CZ-OD2 3.86Å; R465-D875 IonicContact NE-OD1 3.79Å; R465-D875 VanDerWaalsContact NH2-CG 3.34Å; R465-D875 IonicContact NH2-OD1 2.77Å; R465-D875 PolarHBondContact NH2-OD1 3.03Å; R465-D875 IonicContact NH2-OD2 3.58Å; R465-D875 PolarHBondContact NH2-OD2 3.36Å
466	W	97	Very high	97.4	Very high	1 Å²	1	5.3 Å²	5.3	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-77.6	-55.7	179.8	175.9	-109.6	0	0	0	113.2	D182 F378 R381 F382 R385 F386 L409 I462 L463	D182-W466 HydrophobicContact CB-CZ2 3.94Å; D182-W466 PolarHBondContact O-NE1 2.87Å; F378-W466 AromaticContact CD2-CH2 3.42Å; F378-W466 HydrophobicContact CD2-CH2 3.42Å; F378-W466 VanDerWaalsContact CD2-CH2 3.42Å; F378-W466 AromaticContact CD2-CZ2 3.74Å; F378-W466 HydrophobicContact CD2-CZ2 3.74Å; F378-W466 AromaticContact CE2-CH2 3.49Å; F378-W466 HydrophobicContact CE2-CH2 3.49Å; F378-W466 VanDerWaalsContact CE2-CH2 3.49Å; F378-W466 AromaticContact CE2-CZ2 3.79Å; F378-W466 HydrophobicContact CE2-CZ2 3.79Å; F378-W466 HydrophobicContact CE2-CZ3 4.29Å; F378-W466 HydrophobicContact CG-CH2 4.42Å; R381-W466 HydrophobicContact CB-CH2 4.17Å; R381-W466 HydrophobicContact CB-CZ3 4.27Å; R381-W466 HydrophobicContact CG-CH2 3.98Å; R381-W466 HydrophobicContact CG-CZ3 3.88Å; R381-W466 PolarHBondContact NE-O 3.27Å; R381-W466 PolarHBondContact NH2-O 3.09Å; F382-W466 HydrophobicContact CB-CZ3 4.13Å; F382-W466 HydrophobicContact CD2-CZ3 4.1Å; R385-W466 HydrophobicContact CB-CE3 4.46Å; F386-W466 HydrophobicContact CD2-CE3 4.39Å; F386-W466 HydrophobicContact CE2-CB 4.03Å; F386-W466 AromaticContact CE2-CE3 3.9Å; F386-W466 HydrophobicContact CE2-CE3 3.9Å; F386-W466 HydrophobicContact CZ-CB 4.26Å; L409-W466 HydrophobicContact CD1-CD2 4.29Å; L409-W466 HydrophobicContact CD1-CG 4.15Å; I462-W466 PolarHBondContact O-N 3.48Å; L463-W466 PolarHBondContact O-N 3.29Å; L463-W466 VanDerWaalsContact O-N 3.14Å
467	D	96.1	Very high	97.3	Very high	5 Å²	5	5.6 Å²	5.6	3%	0.027	3%	0.027	C	C	.	.			trans	-147.5	94.3	-174.6	-166.7	-58.9	0	0	0	109.7	R184 R381 L463 N469 L470 A471	R184-D467 IonicContact CZ-OD1 3.5Å; R184-D467 IonicContact CZ-OD2 3.76Å; R184-D467 IonicContact NE-OD1 3.84Å; R184-D467 IonicContact NE-OD2 3.42Å; R184-D467 PolarHBondContact NE-OD2 2.82Å; R184-D467 IonicContact NH2-OD1 2.85Å; R184-D467 PolarHBondContact NH2-OD1 2.92Å; R184-D467 IonicContact NH2-OD2 3.13Å; R184-D467 PolarHBondContact NH2-OD2 2.91Å; R381-D467 IonicContact CZ-OD2 3.12Å; R381-D467 IonicContact NH1-OD2 2.76Å; R381-D467 IonicContact NH2-OD2 2.73Å; R381-D467 PolarHBondContact NH2-OD2 3.18Å; L463-D467 CarbonylContact O-C 3.53Å; L463-D467 PolarHBondContact O-N 3.28Å; D467-N469 PolarHBondContact O-N 3.35Å; D467-N469 VanDerWaalsContact O-N 3.14Å; D467-N469 WeakPolarHBondContact OD1-CB 3.39Å; D467-N469 PolarHBondContact OD1-N 3.34Å; D467-L470 HydrophobicContact CB-CB 4.04Å; D467-L470 HydrophobicContact CB-CD1 3.85Å; D467-L470 HydrophobicContact CB-CG 3.96Å; D467-L470 WeakPolarHBondContact O-CB 3.37Å; D467-L470 PolarHBondContact O-N 2.82Å; D467-L470 PolarHBondContact OD1-N 3.34Å; D467-A471 PolarHBondContact O-N 3.5Å
468	P	96.7	Very high	97.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-53.2	-33.2	-179.8	-28.1	34.8	0	0	0	114.1	A471 M472 L526 L533 E537	P468-A471 PolarHBondContact O-N 3.13Å; P468-M472 WeakPolarHBondContact O-CG 3.45Å; P468-M472 PolarHBondContact O-N 3.25Å; P468-L526 HydrophobicContact CB-CD2 3.89Å; P468-L533 HydrophobicContact CB-CD2 3.81Å; P468-L533 HydrophobicContact CG-CD2 3.52Å; P468-E537 WeakPolarHBondContact CD-OE1 3.21Å
469	N	95.1	Very high	97.3	Very high	44 Å²	44	5.6 Å²	5.6	24%	0.235	3%	0.027	C	C	.	.	H	α-helix	trans	-68.8	-39.2	177.7	-67.5	-22.7	0	0	0	111.4	D467 A471 M472 E473	D467-N469 PolarHBondContact O-N 3.35Å; D467-N469 VanDerWaalsContact O-N 3.14Å; D467-N469 WeakPolarHBondContact OD1-CB 3.39Å; D467-N469 PolarHBondContact OD1-N 3.34Å; N469-A471 VanDerWaalsContact C-N 3.31Å; N469-A471 PolarHBondContact O-N 2.9Å; N469-M472 HydrophobicContact CB-CE 4.42Å; N469-M472 PolarHBondContact O-N 3.27Å; N469-M472 WeakPolarHBondContact OD1-CE 3.27Å; N469-E473 WeakPolarHBondContact O-CB 3.47Å; N469-E473 VanDerWaalsContact O-CG 3.25Å; N469-E473 WeakPolarHBondContact O-CG 3.04Å; N469-E473 PolarHBondContact O-N 2.85Å
470	L	95.3	Very high	97.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.5	-38.9	171.8	-74.6	179.8	0	0	0	112.1	L126 L409 F439 D467 E473 T474	L126-L470 HydrophobicContact CD1-CD2 3.91Å; L126-L470 HydrophobicContact CD2-CD2 3.55Å; L126-L470 HydrophobicContact CG-CD2 4.4Å; L409-L470 HydrophobicContact CD2-CD1 4.09Å; F439-L470 HydrophobicContact CE1-CD2 4.07Å; F439-L470 HydrophobicContact CZ-CD2 4.31Å; D467-L470 HydrophobicContact CB-CB 4.04Å; D467-L470 HydrophobicContact CB-CD1 3.85Å; D467-L470 HydrophobicContact CB-CG 3.96Å; D467-L470 WeakPolarHBondContact O-CB 3.37Å; D467-L470 PolarHBondContact O-N 2.82Å; D467-L470 PolarHBondContact OD1-N 3.34Å; L470-E473 PolarHBondContact O-N 3.42Å; L470-T474 WeakPolarHBondContact O-CG2 3.42Å; L470-T474 PolarHBondContact O-N 3.44Å; L470-T474 PolarHBondContact O-OG1 2.8Å
471	A	97.8	Very high	97.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.2	-41.4	175.5	0	0	0	0	0	112.2	L463 A464 D467 P468 N469 T474 V475 T522 L526	L463-A471 HydrophobicContact CB-CB 3.86Å; A464-A471 HydrophobicContact CB-CB 3.98Å; D467-A471 PolarHBondContact O-N 3.5Å; P468-A471 PolarHBondContact O-N 3.13Å; N469-A471 VanDerWaalsContact C-N 3.31Å; N469-A471 PolarHBondContact O-N 2.9Å; A471-T474 PolarHBondContact O-OG1 3.33Å; A471-V475 WeakPolarHBondContact O-CG2 3.44Å; A471-V475 PolarHBondContact O-N 3.33Å; A471-V475 VanDerWaalsContact O-N 3.08Å; A471-T522 HydrophobicContact CB-CG2 4.06Å; A471-L526 HydrophobicContact CB-CD1 4.27Å; A471-L526 HydrophobicContact CB-CD2 4.2Å
472	M	97.7	Very high	97.1	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.015	3%	0.032	C	C	.	.	H	α-helix	trans	-65.6	-40.5	175.3	-72.2	-173.1	-67.6	0	0	112.4	P468 N469 G476 L526 E540 F541 W544	P468-M472 WeakPolarHBondContact O-CG 3.45Å; P468-M472 PolarHBondContact O-N 3.25Å; N469-M472 HydrophobicContact CB-CE 4.42Å; N469-M472 PolarHBondContact O-N 3.27Å; N469-M472 WeakPolarHBondContact OD1-CE 3.27Å; M472-G476 PolarHBondContact O-N 2.89Å; M472-L526 HydrophobicContact CG-CD1 3.77Å; M472-L526 HydrophobicContact CG-CD2 4.49Å; M472-E540 HydrophobicContact CE-CB 4.03Å; M472-E540 HydrophobicContact CE-CG 3.66Å; M472-F541 HydrophobicContact CE-CB 4.47Å; M472-F541 WeakPolarHBondContact SD-CA 3.48Å; M472-F541 HydrophobicContact SD-CB 3.87Å; M472-F541 HydrophobicContact SD-CD2 3.93Å; M472-F541 HydrophobicContact SD-CG 4.36Å; M472-W544 HydrophobicContact CB-CD2 4.03Å; M472-W544 HydrophobicContact CB-CG 3.96Å; M472-W544 HydrophobicContact CB-CZ2 4.47Å; M472-W544 HydrophobicContact CG-CD2 3.67Å; M472-W544 HydrophobicContact CG-CE3 3.95Å; M472-W544 HydrophobicContact CG-CG 3.96Å; M472-W544 HydrophobicContact CG-CH2 4.43Å; M472-W544 HydrophobicContact CG-CZ2 4.2Å; M472-W544 HydrophobicContact CG-CZ3 4.33Å; M472-W544 PolarHBondContact O-NE1 3.02Å; M472-W544 HydrophobicContact SD-CB 3.87Å; M472-W544 HydrophobicContact SD-CD2 3.88Å; M472-W544 HydrophobicContact SD-CE3 3.94Å; M472-W544 HydrophobicContact SD-CG 3.88Å
473	E	95.3	Very high	97	Very high	15 Å²	15	6.5 Å²	6.5	7%	0.07	3%	0.032	C	C	.	.	H	α-helix	trans	-60.4	-48.5	175.9	-76.7	-78.5	136.4	0	0	111.7	L126 R142 F439 N469 L470 G476 S477	L126-E473 HydrophobicContact CD1-CG 4.04Å; R142-E473 IonicContact CZ-OE2 2.65Å; R142-E473 IonicContact NH1-OE2 3.93Å; R142-E473 PolarHBondContact NH1-OE2 2.58Å; R142-E473 IonicContact NH2-OE2 3.65Å; R142-E473 PolarHBondContact NH2-OE2 3.33Å; F439-E473 HydrophobicContact CD1-CB 4.17Å; F439-E473 HydrophobicContact CE1-CB 4.35Å; N469-E473 WeakPolarHBondContact O-CB 3.47Å; N469-E473 VanDerWaalsContact O-CG 3.25Å; N469-E473 WeakPolarHBondContact O-CG 3.04Å; N469-E473 PolarHBondContact O-N 2.85Å; L470-E473 PolarHBondContact O-N 3.42Å; E473-G476 PolarHBondContact O-N 3.07Å; E473-S477 WeakPolarHBondContact O-CB 3.4Å; E473-S477 PolarHBondContact O-N 3.49Å
474	T	97.1	Very high	97	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.2	-50.4	-179.5	49	0	0	0	0	111.9	F439 E456 L463 L470 A471 G476 S477 W478	F439-T474 HydrophobicContact CD1-CG2 4.15Å; F439-T474 HydrophobicContact CE1-CG2 4.39Å; F439-T474 WeakPolarHBondContact O-CA 3.5Å; E456-T474 WeakPolarHBondContact OE1-CB 3.1Å; E456-T474 WeakPolarHBondContact OE1-CG2 3.26Å; L463-T474 HydrophobicContact CD1-CG2 3.85Å; L470-T474 WeakPolarHBondContact O-CG2 3.42Å; L470-T474 PolarHBondContact O-N 3.44Å; L470-T474 PolarHBondContact O-OG1 2.8Å; A471-T474 PolarHBondContact O-OG1 3.33Å; T474-G476 VanDerWaalsContact C-N 3.32Å; T474-G476 PolarHBondContact O-N 2.84Å; T474-S477 PolarHBondContact O-N 2.78Å; T474-W478 VanDerWaalsContact O-CD1 3.3Å; T474-W478 PolarHBondContact O-N 3.07Å
475	V	98.5	Very high	96.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.6	-43.1	176.4	173.9	0	0	0	0	111.2	A471 S477 W478 L479 L519 T522 V523 W544	A471-V475 WeakPolarHBondContact O-CG2 3.44Å; A471-V475 PolarHBondContact O-N 3.33Å; A471-V475 VanDerWaalsContact O-N 3.08Å; V475-S477 VanDerWaalsContact C-N 3.33Å; V475-S477 PolarHBondContact O-N 3.48Å; V475-W478 PolarHBondContact O-N 3.33Å; V475-L479 HydrophobicContact CG1-CD1 4.02Å; V475-L479 HydrophobicContact CG1-CG 4.37Å; V475-L479 WeakPolarHBondContact O-CG 3.33Å; V475-L479 PolarHBondContact O-N 3.18Å; V475-L519 HydrophobicContact CG2-CD2 4.45Å; V475-T522 HydrophobicContact CG2-CG2 3.64Å; V475-V523 HydrophobicContact CG1-CG2 4.4Å; V475-W544 HydrophobicContact CB-CZ2 3.87Å; V475-W544 HydrophobicContact CG1-CH2 4.43Å; V475-W544 HydrophobicContact CG1-CZ2 3.67Å
476	G	97.2	Very high	96.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59.2	-44.7	176.4	0	0	0	0	0	112	M472 E473 T474 W478 L479 D480	M472-G476 PolarHBondContact O-N 2.89Å; E473-G476 PolarHBondContact O-N 3.07Å; T474-G476 VanDerWaalsContact C-N 3.32Å; T474-G476 PolarHBondContact O-N 2.84Å; G476-W478 VanDerWaalsContact C-N 3.31Å; G476-W478 PolarHBondContact O-N 2.88Å; G476-L479 PolarHBondContact O-N 2.61Å; G476-D480 PolarHBondContact O-N 2.84Å
477	S	96.9	Very high	96.8	Very high	5 Å²	5	8.9 Å²	8.9	4%	0.035	5%	0.051	C	C	.	.	H	α-helix	trans	-62.5	-36.6	178.5	-164.6	0	0	0	0	112.7	L438 F439 E473 T474 V475	L438-S477 WeakPolarHBondContact CA-OG 3.5Å; F439-S477 PolarHBondContact N-OG 3.43Å; E473-S477 WeakPolarHBondContact O-CB 3.4Å; E473-S477 PolarHBondContact O-N 3.49Å; T474-S477 PolarHBondContact O-N 2.78Å; V475-S477 VanDerWaalsContact C-N 3.33Å; V475-S477 PolarHBondContact O-N 3.48Å
478	W	98.5	Very high	96.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.6	-41.9	173.9	-84.6	97.5	0	0	0	112.8	L438 T440 F452 L453 E456 T474 V475 G476 D480 L481 I488 Q492 L519	L438-W478 HydrophobicContact CD1-CD2 4.03Å; L438-W478 HydrophobicContact CD1-CG 4Å; L438-W478 HydrophobicContact CD2-CH2 4.29Å; L438-W478 HydrophobicContact CD2-CZ2 4Å; T440-W478 PolarHBondContact OG1-NE1 2.92Å; F452-W478 VanDerWaalsContact C-CH2 3.45Å; L453-W478 VanDerWaalsContact CA-CH2 3.48Å; L453-W478 HydrophobicContact CB-CE3 4.3Å; L453-W478 HydrophobicContact CB-CH2 3.98Å; L453-W478 HydrophobicContact CB-CZ3 3.7Å; L453-W478 HydrophobicContact CD1-CD2 4.08Å; L453-W478 HydrophobicContact CD1-CE3 3.55Å; L453-W478 HydrophobicContact CD1-CZ3 3.86Å; L453-W478 HydrophobicContact CG-CE3 4.5Å; L453-W478 HydrophobicContact CG-CZ3 4.34Å; L453-W478 VanDerWaalsContact N-CH2 3.25Å; E456-W478 HydrophobicContact CB-CZ2 4.4Å; E456-W478 VanDerWaalsContact CG-NE1 3.34Å; T474-W478 VanDerWaalsContact O-CD1 3.3Å; T474-W478 PolarHBondContact O-N 3.07Å; V475-W478 PolarHBondContact O-N 3.33Å; G476-W478 VanDerWaalsContact C-N 3.31Å; G476-W478 PolarHBondContact O-N 2.88Å; W478-D480 PolarHBondContact O-N 3.12Å; W478-L481 HydrophobicContact CE3-CD1 4.15Å; W478-L481 WeakPolarHBondContact O-CB 3.5Å; W478-L481 PolarHBondContact O-N 3.25Å; W478-L481 VanDerWaalsContact O-N 3.11Å; W478-I488 HydrophobicContact CE3-CG2 3.83Å; W478-I488 HydrophobicContact CZ3-CG2 4.1Å; W478-Q492 HydrophobicContact CE3-CG 4.24Å; W478-Q492 HydrophobicContact CH2-CB 4.27Å; W478-Q492 HydrophobicContact CH2-CG 3.48Å; W478-Q492 VanDerWaalsContact CH2-CG 3.48Å; W478-Q492 HydrophobicContact CZ2-CG 4.44Å; W478-Q492 HydrophobicContact CZ3-CG 3.36Å; W478-L519 HydrophobicContact CB-CD1 3.73Å; W478-L519 HydrophobicContact CG-CD1 4.28Å; W478-L519 HydrophobicContact CG-CD2 4.48Å
479	L	98.4	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.7	-19.9	179.6	-65.8	177.4	0	0	0	113.4	V475 G476 L481 M482 I488 I548 R551 L552	V475-L479 HydrophobicContact CG1-CD1 4.02Å; V475-L479 HydrophobicContact CG1-CG 4.37Å; V475-L479 WeakPolarHBondContact O-CG 3.33Å; V475-L479 PolarHBondContact O-N 3.18Å; G476-L479 PolarHBondContact O-N 2.61Å; L479-L481 VanDerWaalsContact C-N 3.31Å; L479-M482 HydrophobicContact CD2-CE 3.79Å; L479-M482 WeakPolarHBondContact O-CB 3.49Å; L479-I488 HydrophobicContact CD2-CD1 4.28Å; L479-I548 HydrophobicContact CD1-CB 3.68Å; L479-I548 HydrophobicContact CD1-CG2 3.71Å; L479-R551 HydrophobicContact CB-CB 4.48Å; L479-R551 PolarHBondContact O-NH1 3.37Å; L479-R551 VanDerWaalsContact O-NH1 3.14Å; L479-L552 HydrophobicContact CD1-CD2 4Å; L479-L552 HydrophobicContact CD1-CG 4.21Å; L479-L552 HydrophobicContact CD2-CD2 3.82Å
480	D	96.6	Very high	96.9	Very high	17 Å²	17	9.1 Å²	9.1	9%	0.091	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.5	172.7	-74.8	-22.7	0	0	0	113.1	K112 V113 I114 G476 W478 M482 R551	K112-D480 WeakPolarHBondContact CA-OD1 3.49Å; V113-D480 PolarHBondContact N-OD1 2.84Å; V113-D480 PolarHBondContact N-OD2 3.11Å; I114-D480 PolarHBondContact N-OD2 3.38Å; G476-D480 PolarHBondContact O-N 2.84Å; W478-D480 PolarHBondContact O-N 3.12Å; D480-M482 VanDerWaalsContact C-N 3.31Å; D480-R551 IonicContact OD1-CZ 3.46Å; D480-R551 VanDerWaalsContact OD1-CZ 3.28Å; D480-R551 IonicContact OD1-NE 2.68Å; D480-R551 IonicContact OD1-NH1 3.87Å; D480-R551 IonicContact OD1-NH2 3.54Å; D480-R551 PolarHBondContact OD1-NH2 3.5Å
481	L	97	Very high	96.9	Very high	11 Å²	11	9.7 Å²	9.7	6%	0.058	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.4	173.1	-62.1	176.8	0	0	0	113.9	W434 S436 L438 W478 L479 Q492	W434-L481 WeakPolarHBondContact CZ2-O 3.31Å; S436-L481 WeakPolarHBondContact OG-CD2 3.35Å; L438-L481 HydrophobicContact CB-CD1 4.26Å; L438-L481 HydrophobicContact CD1-CD1 3.8Å; L438-L481 HydrophobicContact CD2-CD1 4.03Å; L438-L481 HydrophobicContact CG-CD1 4.24Å; W478-L481 HydrophobicContact CE3-CD1 4.15Å; W478-L481 WeakPolarHBondContact O-CB 3.5Å; W478-L481 PolarHBondContact O-N 3.25Å; W478-L481 VanDerWaalsContact O-N 3.11Å; L479-L481 VanDerWaalsContact C-N 3.31Å; L481-Q492 HydrophobicContact CD1-CG 3.8Å
482	M	97.6	Very high	96.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.			trans	-66.8	133.7	-175.3	-166.6	-179.4	-63.4	0	0	111.6	L108 L479 D480 G486 W487 I488 R551 V554 W555	L108-M482 HydrophobicContact CB-CB 4.41Å; L108-M482 WeakPolarHBondContact CB-O 3.38Å; L108-M482 HydrophobicContact CD2-CB 4.49Å; L108-M482 HydrophobicContact CD2-CG 4.31Å; L108-M482 HydrophobicContact CD2-SD 3.6Å; L108-M482 VanDerWaalsContact CD2-SD 3.6Å; L108-M482 PolarHBondContact N-O 3.41Å; L479-M482 HydrophobicContact CD2-CE 3.79Å; L479-M482 WeakPolarHBondContact O-CB 3.49Å; D480-M482 VanDerWaalsContact C-N 3.31Å; M482-G486 VanDerWaalsContact CG-CA 3.5Å; M482-W487 WeakPolarHBondContact CA-O 3.24Å; M482-I488 HydrophobicContact CB-CD1 4.37Å; M482-I488 HydrophobicContact CB-CG1 3.91Å; M482-I488 HydrophobicContact CE-CD1 3.78Å; M482-I488 HydrophobicContact CE-CG1 4.24Å; M482-I488 HydrophobicContact CG-CG1 4.03Å; M482-R551 HydrophobicContact CE-CB 4.39Å; M482-V554 HydrophobicContact SD-CB 4.35Å; M482-V554 HydrophobicContact SD-CG1 4.13Å; M482-W555 HydrophobicContact CE-CB 3.62Å; M482-W555 HydrophobicContact CE-CG 3.98Å; M482-W555 HydrophobicContact SD-CB 4.34Å
483	N	96.8	Very high	96.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.011	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-78	173.6	171.8	77.6	4.8	0	0	0	112.1	V104 T106 W434 N485 G486 W487	V104-N483 WeakPolarHBondContact CA-ND2 3.33Å; V104-N483 WeakPolarHBondContact O-CB 3.37Å; V104-N483 PolarHBondContact O-ND2 3.1Å; V104-N483 VanDerWaalsContact O-ND2 3.14Å; T106-N483 CarbonylContact O-C 3.6Å; T106-N483 VanDerWaalsContact O-CA 3.29Å; T106-N483 WeakPolarHBondContact O-CA 3.46Å; T106-N483 WeakPolarHBondContact O-CB 3.5Å; W434-N483 HydrophobicContact CH2-CB 3.66Å; W434-N483 HydrophobicContact CZ3-CB 4.09Å; N483-N485 PolarHBondContact O-N 2.73Å; N483-N485 VanDerWaalsContact O-N 3.09Å; N483-N485 WeakPolarHBondContact OD1-CB 3.31Å; N483-N485 PolarHBondContact OD1-N 2.9Å; N483-G486 PolarHBondContact O-N 3Å; N483-G486 PolarHBondContact OD1-N 3.03Å; N483-G486 VanDerWaalsContact OD1-N 3.13Å; N483-W487 PolarHBondContact N-O 3.41Å; N483-W487 PolarHBondContact OD1-N 3.43Å
484	A	96.5	Very high	96.8	Very high	30 Å²	30	9.5 Å²	9.5	25%	0.248	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22	-177.7	0	0	0	0	0	114	Q103 T106	Q103-A484 HydrophobicContact CB-CB 4.11Å; Q103-A484 HydrophobicContact CG-CB 4.25Å; T106-A484 PolarHBondContact O-N 3.17Å
485	N	94.1	Very high	96.6	Very high	47 Å²	47	10.3 Å²	10.3	25%	0.251	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.9	177.1	-69.4	-19.8	0	0	0	113.4	Q103 N483 W558	Q103-N485 WeakPolarHBondContact CB-OD1 3.32Å; Q103-N485 PolarHBondContact OE1-OD1 2.77Å; N483-N485 PolarHBondContact O-N 2.73Å; N483-N485 VanDerWaalsContact O-N 3.09Å; N483-N485 WeakPolarHBondContact OD1-CB 3.31Å; N483-N485 PolarHBondContact OD1-N 2.9Å; N485-W558 WeakPolarHBondContact O-CB 3.31Å
486	G	97.1	Very high	96.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	97.9	4.1	-175.1	0	0	0	0	0	115.2	M482 N483	M482-G486 VanDerWaalsContact CG-CA 3.5Å; N483-G486 PolarHBondContact O-N 3Å; N483-G486 PolarHBondContact OD1-N 3.03Å; N483-G486 VanDerWaalsContact OD1-N 3.13Å
487	W	97.4	Very high	96.1	Very high	8 Å²	8	17.8 Å²	17.8	3%	0.03	9%	0.09	C	C	.	.			trans	-82.3	141.6	178.6	176.5	70.8	0	0	0	111.8	V421 M482 N483 P489 Q509 S510 V513 W558	V421-W487 HydrophobicContact CB-CH2 4.47Å; V421-W487 HydrophobicContact CB-CZ3 4.47Å; V421-W487 HydrophobicContact CG1-CH2 3.82Å; V421-W487 HydrophobicContact CG1-CZ3 3.77Å; V421-W487 HydrophobicContact CG2-CH2 3.82Å; V421-W487 HydrophobicContact CG2-CZ3 3.78Å; M482-W487 WeakPolarHBondContact CA-O 3.24Å; N483-W487 PolarHBondContact N-O 3.41Å; N483-W487 PolarHBondContact OD1-N 3.43Å; W487-P489 HydrophobicContact CE3-CG 4.24Å; W487-P489 HydrophobicContact CH2-CB 3.67Å; W487-P489 HydrophobicContact CH2-CG 3.52Å; W487-P489 HydrophobicContact CZ2-CB 3.75Å; W487-P489 HydrophobicContact CZ2-CG 4Å; W487-P489 HydrophobicContact CZ3-CB 4.3Å; W487-P489 HydrophobicContact CZ3-CG 3.64Å; W487-Q509 HydrophobicContact CH2-CB 3.9Å; W487-Q509 HydrophobicContact CZ2-CB 4.15Å; W487-S510 WeakPolarHBondContact CZ2-O 3.34Å; W487-V513 PolarHBondContact NE1-O 3.23Å; W487-W558 HydrophobicContact CB-CD2 4.35Å; W487-W558 HydrophobicContact CB-CZ2 4.09Å; W487-W558 AromaticContact CD1-CE2 3.93Å; W487-W558 AromaticContact CD1-CH2 3.64Å; W487-W558 AromaticContact CD1-CZ2 3.37Å; W487-W558 HydrophobicContact CG-CZ2 4.03Å
488	I	97.8	Very high	95.9	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	9%	0.091	C	C	.	.			trans	-124.6	124.8	171.3	-59.1	172	0	0	0	107.3	L453 W478 L479 M482 R490	L453-I488 HydrophobicContact CD1-CG2 4.09Å; L453-I488 HydrophobicContact CD2-CB 4.07Å; L453-I488 HydrophobicContact CD2-CG2 4.06Å; W478-I488 HydrophobicContact CE3-CG2 3.83Å; W478-I488 HydrophobicContact CZ3-CG2 4.1Å; L479-I488 HydrophobicContact CD2-CD1 4.28Å; M482-I488 HydrophobicContact CB-CD1 4.37Å; M482-I488 HydrophobicContact CB-CG1 3.91Å; M482-I488 HydrophobicContact CE-CD1 3.78Å; M482-I488 HydrophobicContact CE-CG1 4.24Å; M482-I488 HydrophobicContact CG-CG1 4.03Å; I488-R490 PolarHBondContact O-N 3.17Å
489	P	95.7	Very high	95.7	Very high	8 Å²	8	20.3 Å²	20.3	5%	0.052	10%	0.1	C	C	.	.			trans	-59.4	135.3	175.5	-10.8	15.1	0	0	0	112.1	W487 E491 Q492 Q509	W487-P489 HydrophobicContact CE3-CG 4.24Å; W487-P489 HydrophobicContact CH2-CB 3.67Å; W487-P489 HydrophobicContact CH2-CG 3.52Å; W487-P489 HydrophobicContact CZ2-CB 3.75Å; W487-P489 HydrophobicContact CZ2-CG 4Å; W487-P489 HydrophobicContact CZ3-CB 4.3Å; W487-P489 HydrophobicContact CZ3-CG 3.64Å; P489-E491 PolarHBondContact O-N 2.86Å; P489-Q492 VanDerWaalsContact CB-NE2 3.28Å; P489-Q492 VanDerWaalsContact CD-NE2 3.29Å; P489-Q492 PolarHBondContact O-NE2 3.01Å; P489-Q509 HydrophobicContact CB-CB 3.93Å; P489-Q509 HydrophobicContact CB-CG 3.83Å
490	R	95.7	Very high	95.3	Very high	41 Å²	41	23.2 Å²	23.2	16%	0.155	12%	0.12	C	C	.	.	S	Bend	trans	-62.6	-29.9	-176.4	67.1	176.3	-73.7	-75.7	6.8	113.8	F452 L453 I488 N515	F452-R490 WeakPolarHBondContact CA-O 3.42Å; L453-R490 PolarHBondContact N-O 3.11Å; I488-R490 PolarHBondContact O-N 3.17Å; R490-N515 HydrophobicContact CB-CB 3.85Å
491	E	96.2	Very high	95	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.6	-176.9	-172.1	173.8	163.1	0	0	109	R450 F452 P489 I493 Q509	R450-E491 IonicContact CZ-OE1 3.63Å; R450-E491 IonicContact NE-OE1 2.78Å; R450-E491 PolarHBondContact NE-OE1 3.37Å; R450-E491 IonicContact NH2-OE1 2.85Å; R450-E491 PolarHBondContact NH2-OE1 3.09Å; F452-E491 HydrophobicContact CD1-CB 4.38Å; F452-E491 HydrophobicContact CD1-CG 4.14Å; F452-E491 HydrophobicContact CE1-CB 4.25Å; F452-E491 VanDerWaalsContact CE1-CD 3.42Å; F452-E491 HydrophobicContact CE1-CG 3.68Å; F452-E491 WeakPolarHBondContact CE1-OE2 3.38Å; F452-E491 HydrophobicContact CE2-CG 4.17Å; F452-E491 HydrophobicContact CZ-CG 3.7Å; F452-E491 WeakPolarHBondContact CZ-OE1 3.13Å; P489-E491 PolarHBondContact O-N 2.86Å; E491-I493 HydrophobicContact CG-CD1 4.21Å; E491-I493 HydrophobicContact CG-CG1 4.03Å; E491-Q509 PolarHBondContact O-OE1 2.72Å
492	Q	96.7	Very high	94.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103	-171.7	-65.6	-65.4	-28.1	0	0	110.4	S419 L438 G451 W478 L481 P489 L494	S419-Q492 PolarHBondContact OG-OE1 2.8Å; L438-Q492 HydrophobicContact CD2-CB 3.52Å; L438-Q492 HydrophobicContact CD2-CG 3.75Å; G451-Q492 PolarHBondContact O-N 3.28Å; W478-Q492 HydrophobicContact CE3-CG 4.24Å; W478-Q492 HydrophobicContact CH2-CB 4.27Å; W478-Q492 HydrophobicContact CH2-CG 3.48Å; W478-Q492 VanDerWaalsContact CH2-CG 3.48Å; W478-Q492 HydrophobicContact CZ2-CG 4.44Å; W478-Q492 HydrophobicContact CZ3-CG 3.36Å; L481-Q492 HydrophobicContact CD1-CG 3.8Å; P489-Q492 VanDerWaalsContact CB-NE2 3.28Å; P489-Q492 VanDerWaalsContact CD-NE2 3.29Å; P489-Q492 PolarHBondContact O-NE2 3.01Å; Q492-L494 HydrophobicContact CB-CG 4.43Å
493	I	96.7	Very high	94.3	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.153	C	C	.	.			trans	-110.1	70.8	-172.9	-49.5	162.6	0	0	0	108.7	E491 A498 R499 V502 V507	E491-I493 HydrophobicContact CG-CD1 4.21Å; E491-I493 HydrophobicContact CG-CG1 4.03Å; I493-A498 HydrophobicContact CG2-CB 4.2Å; I493-R499 HydrophobicContact CG2-CB 4.27Å; I493-R499 HydrophobicContact CG2-CG 3.66Å; I493-V502 HydrophobicContact CD1-CB 4.46Å; I493-V502 HydrophobicContact CD1-CG1 4.01Å; I493-V502 HydrophobicContact CD1-CG2 4.21Å; I493-V502 HydrophobicContact CG1-CG2 4.3Å; I493-V502 HydrophobicContact CG2-CG2 4.03Å; I493-V507 HydrophobicContact CD1-CB 4.42Å; I493-V507 HydrophobicContact CD1-CG1 4.41Å
494	L	95.5	Very high	93.9	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	19%	0.185	C	C	.	.			trans	-98	122.7	-172.1	-50.3	178.4	0	0	0	110.7	F415 Y416 S419 L438 Q492 A498	F415-L494 HydrophobicContact CB-CB 3.95Å; F415-L494 HydrophobicContact CB-CD1 4.31Å; Y416-L494 CarbonylContact O-C 3.55Å; S419-L494 WeakPolarHBondContact OG-CD2 3.36Å; L438-L494 HydrophobicContact CB-CD1 3.8Å; Q492-L494 HydrophobicContact CB-CG 4.43Å; L494-A498 WeakPolarHBondContact O-CB 3.27Å
495	G	92.9	Very high	93.2	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	20%	0.202	C	C	.	.	S	Bend	trans	87	164.9	179.1	0	0	0	0	0	114.5	Y416 A498 R499	Y416-G495 PolarHBondContact O-N 3.5Å; G495-A498 PolarHBondContact O-N 2.97Å; G495-R499 WeakPolarHBondContact O-CG 3.42Å; G495-R499 PolarHBondContact O-N 3.48Å; G495-R499 VanDerWaalsContact O-N 3.11Å
496	W	92.1	Very high	93	Very high	109 Å²	109	42 Å²	42	41%	0.413	22%	0.215	S	C	.	.	H	α-helix	trans	-69.4	-36.6	-174.1	-65.7	111	0	0	0	113.3	R293 E294 A498 R499 S500	R293-W496 HydrophobicContact CB-CB 4.5Å; R293-W496 HydrophobicContact CB-CG 4.35Å; R293-W496 HydrophobicContact CG-CG 4.46Å; E294-W496 WeakPolarHBondContact OE2-CB 3.4Å; E294-W496 VanDerWaalsContact OE2-CD1 3.29Å; W496-A498 VanDerWaalsContact C-N 3.34Å; W496-A498 PolarHBondContact O-N 3.42Å; W496-R499 PolarHBondContact O-N 3.5Å; W496-S500 WeakPolarHBondContact O-CB 3.46Å; W496-S500 PolarHBondContact O-N 3.18Å
497	E	92.1	Very high	92.8	Very high	49 Å²	49	42.8 Å²	42.8	23%	0.229	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-46.9	176	-172.3	166.3	-158.9	0	0	110.9	R132 E294 S500	R132-E497 IonicContact CZ-OE1 3.92Å; R132-E497 IonicContact CZ-OE2 2.95Å; R132-E497 IonicContact NE-OE1 3.75Å; R132-E497 IonicContact NE-OE2 3.87Å; R132-E497 PolarHBondContact NE-OE2 2.77Å; R132-E497 IonicContact NH2-OE1 3.03Å; R132-E497 PolarHBondContact NH2-OE1 3.42Å; R132-E497 IonicContact NH2-OE2 3.64Å; R132-E497 PolarHBondContact NH2-OE2 3.16Å; E294-E497 HydrophobicContact CB-CB 4.07Å; E497-S500 PolarHBondContact O-OG 3.22Å
498	A	93	Very high	92.7	Very high	6 Å²	6	44.4 Å²	44.4	5%	0.05	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-46.2	176.6	0	0	0	0	0	112.3	I493 L494 G495 W496 S500 K501	I493-A498 HydrophobicContact CG2-CB 4.2Å; L494-A498 WeakPolarHBondContact O-CB 3.27Å; G495-A498 PolarHBondContact O-N 2.97Å; W496-A498 VanDerWaalsContact C-N 3.34Å; W496-A498 PolarHBondContact O-N 3.42Å; A498-S500 VanDerWaalsContact C-N 3.27Å; A498-S500 PolarHBondContact O-N 3.34Å; A498-K501 PolarHBondContact O-N 3.44Å; A498-K501 VanDerWaalsContact O-N 3.14Å
499	R	93.4	Very high	92.5	Very high	52 Å²	52	44.8 Å²	44.8	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-34.9	179.7	-71.6	175.1	-173.8	177.2	1.3	112.8	T418 I493 G495 W496 K501 V502	T418-R499 PolarHBondContact O-NH2 3.31Å; T418-R499 PolarHBondContact OG1-NH2 2.91Å; T418-R499 VanDerWaalsContact OG1-NH2 3.13Å; I493-R499 HydrophobicContact CG2-CB 4.27Å; I493-R499 HydrophobicContact CG2-CG 3.66Å; G495-R499 WeakPolarHBondContact O-CG 3.42Å; G495-R499 PolarHBondContact O-N 3.48Å; G495-R499 VanDerWaalsContact O-N 3.11Å; W496-R499 PolarHBondContact O-N 3.5Å; R499-K501 PolarHBondContact O-N 2.89Å; R499-K501 VanDerWaalsContact O-N 3.13Å; R499-V502 PolarHBondContact O-N 3.41Å; R499-V502 VanDerWaalsContact O-N 3.14Å
500	S	91.1	Very high	92.4	Very high	60 Å²	60	46.2 Å²	46.2	42%	0.42	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	179.1	77.5	0	0	0	0	113.8	W496 E497 A498	W496-S500 WeakPolarHBondContact O-CB 3.46Å; W496-S500 PolarHBondContact O-N 3.18Å; E497-S500 PolarHBondContact O-OG 3.22Å; A498-S500 VanDerWaalsContact C-N 3.27Å; A498-S500 PolarHBondContact O-N 3.34Å
501	K	90.3	Very high	92.3	Very high	78 Å²	78	44.9 Å²	44.9	34%	0.339	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	4.2	-179	-57.5	-61.1	-178.7	176.8	0	113.3	S166 P449 A498 R499	S166-K501 PolarHBondContact OG-NZ 3.25Å; P449-K501 HydrophobicContact CG-CB 4.39Å; P449-K501 HydrophobicContact CG-CG 4.14Å; A498-K501 PolarHBondContact O-N 3.44Å; A498-K501 VanDerWaalsContact O-N 3.14Å; R499-K501 PolarHBondContact O-N 2.89Å; R499-K501 VanDerWaalsContact O-N 3.13Å
502	V	90.8	Very high	92.1	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.079	26%	0.26	C	S	.	.	S	Bend	trans	-124.3	126.5	-176.7	-170.6	0	0	0	0	110	R450 I493 R499 F506 V507	R450-V502 VanDerWaalsContact CZ-CG2 3.42Å; I493-V502 HydrophobicContact CD1-CB 4.46Å; I493-V502 HydrophobicContact CD1-CG1 4.01Å; I493-V502 HydrophobicContact CD1-CG2 4.21Å; I493-V502 HydrophobicContact CG1-CG2 4.3Å; I493-V502 HydrophobicContact CG2-CG2 4.03Å; R499-V502 PolarHBondContact O-N 3.41Å; R499-V502 VanDerWaalsContact O-N 3.14Å; V502-F506 HydrophobicContact CG1-CB 3.78Å; V502-V507 HydrophobicContact CB-CG2 4.17Å; V502-V507 HydrophobicContact CG1-CG2 4.04Å
503	P	89.2	Confident	91.9	Very high	65 Å²	65	50.5 Å²	50.5	42%	0.422	27%	0.267	S	S	.	.			trans	-55.2	141.5	169	-23.3	32.9	0	0	0	111.3	E505 F506	P503-E505 VanDerWaalsContact CB-CD 3.41Å; P503-E505 HydrophobicContact CB-CG 4.22Å; P503-E505 VanDerWaalsContact CB-OE2 3.29Å; P503-E505 WeakPolarHBondContact CB-OE2 3.29Å; P503-E505 PolarHBondContact O-N 3.23Å; P503-F506 HydrophobicContact CB-CD2 3.86Å; P503-F506 HydrophobicContact CB-CE2 4.24Å; P503-F506 HydrophobicContact CG-CD2 3.96Å; P503-F506 HydrophobicContact CG-CE2 4.24Å; P503-F506 PolarHBondContact O-N 2.86Å
504	S	86.9	Confident	92	Very high	96 Å²	96	50.3 Å²	50.3	67%	0.671	27%	0.267	S	S	*	.	H	α-helix	trans	-52.1	-34	-172.7	40.5	0	0	0	0	114.5	F506 V507	S504-F506 VanDerWaalsContact C-N 3.29Å; S504-F506 PolarHBondContact O-N 3.04Å; S504-V507 PolarHBondContact O-N 2.84Å
505	E	83.5	Confident	92.1	Very high	129 Å²	129	50.2 Å²	50.2	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-67.3	-24	-179.2	58	-92.3	-140.6	0	0	113.9	P503	P503-E505 VanDerWaalsContact CB-CD 3.41Å; P503-E505 HydrophobicContact CB-CG 4.22Å; P503-E505 VanDerWaalsContact CB-OE2 3.29Å; P503-E505 WeakPolarHBondContact CB-OE2 3.29Å; P503-E505 PolarHBondContact O-N 3.23Å
506	F	88.5	Confident	92.3	Very high	120 Å²	120	49.4 Å²	49.4	53%	0.526	26%	0.258	S	S	.	.	H	α-helix	trans	-100.7	-3.7	-179.2	-57.3	-59.8	0	0	0	113.3	V502 P503 S504 Q509	V502-F506 HydrophobicContact CG1-CB 3.78Å; P503-F506 HydrophobicContact CB-CD2 3.86Å; P503-F506 HydrophobicContact CB-CE2 4.24Å; P503-F506 HydrophobicContact CG-CD2 3.96Å; P503-F506 HydrophobicContact CG-CE2 4.24Å; P503-F506 PolarHBondContact O-N 2.86Å; S504-F506 VanDerWaalsContact C-N 3.29Å; S504-F506 PolarHBondContact O-N 3.04Å; F506-Q509 PolarHBondContact O-NE2 3.3Å; F506-Q509 VanDerWaalsContact O-NE2 3.16Å
507	V	93.1	Very high	92.6	Very high	17 Å²	17	44.2 Å²	44.2	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-38.8	-179.3	-177	0	0	0	0	111.4	L420 I493 V502 S504 Q509	L420-V507 HydrophobicContact CD1-CG1 3.93Å; I493-V507 HydrophobicContact CD1-CB 4.42Å; I493-V507 HydrophobicContact CD1-CG1 4.41Å; V502-V507 HydrophobicContact CB-CG2 4.17Å; V502-V507 HydrophobicContact CG1-CG2 4.04Å; S504-V507 PolarHBondContact O-N 2.84Å; V507-Q509 PolarHBondContact O-N 3.11Å; V507-Q509 PolarHBondContact O-NE2 3.33Å
508	V	94.6	Very high	93	Very high	43 Å²	43	41.9 Å²	41.9	26%	0.261	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.5	-176	-177.8	0	0	0	0	110.5	L420 R422 P430	L420-V508 HydrophobicContact CB-CG2 4.35Å; R422-V508 HydrophobicContact CB-CG1 3.72Å; P430-V508 HydrophobicContact CB-CG1 3.91Å; P430-V508 HydrophobicContact CB-CG2 3.89Å; P430-V508 HydrophobicContact CG-CB 4.47Å; P430-V508 HydrophobicContact CG-CG1 3.93Å; P430-V508 HydrophobicContact CG-CG2 3.67Å
509	Q	94.7	Very high	93.2	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.3	176.3	-52.6	-54.7	-60	0	0	110.2	L420 V421 R422 W487 P489 E491 F506 V507	L420-Q509 PolarHBondContact O-N 2.99Å; V421-Q509 CarbonylContact C-O 3.6Å; V421-Q509 VanDerWaalsContact CA-O 3.29Å; V421-Q509 WeakPolarHBondContact CA-O 3.19Å; R422-Q509 PolarHBondContact N-O 3.08Å; W487-Q509 HydrophobicContact CH2-CB 3.9Å; W487-Q509 HydrophobicContact CZ2-CB 4.15Å; P489-Q509 HydrophobicContact CB-CB 3.93Å; P489-Q509 HydrophobicContact CB-CG 3.83Å; E491-Q509 PolarHBondContact O-OE1 2.72Å; F506-Q509 PolarHBondContact O-NE2 3.3Å; F506-Q509 VanDerWaalsContact O-NE2 3.16Å; V507-Q509 PolarHBondContact O-N 3.11Å; V507-Q509 PolarHBondContact O-NE2 3.33Å
510	S	93.8	Very high	93.5	Very high	37 Å²	37	39.1 Å²	39.1	26%	0.259	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.5	177	174.3	0	0	0	0	111.1	R422 W487 E512 V513	R422-S510 WeakPolarHBondContact O-CA 3.37Å; W487-S510 WeakPolarHBondContact CZ2-O 3.34Å; S510-E512 PolarHBondContact O-N 2.81Å; S510-E512 PolarHBondContact OG-N 2.79Å; S510-V513 PolarHBondContact O-N 2.82Å; S510-V513 VanDerWaalsContact O-N 3.13Å
511	S	93.2	Very high	93.9	Very high	14 Å²	14	36.7 Å²	36.7	10%	0.098	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.4	179.5	69.4	0	0	0	0	114.2	R422 S423	R422-S511 PolarHBondContact O-N 3.09Å; R422-S511 VanDerWaalsContact O-N 3.08Å; S423-S511 WeakPolarHBondContact CB-OG 3.18Å; S423-S511 PolarHBondContact OG-OG 3.25Å
512	E	92.1	Very high	94.2	Very high	103 Å²	103	33 Å²	33	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.5	175.5	-62.4	-176.4	105.6	0	0	112.2	P424 S510 Q563 R574	P424-E512 HydrophobicContact CG-CG 3.9Å; P424-E512 VanDerWaalsContact CG-OE2 3.3Å; P424-E512 WeakPolarHBondContact CG-OE2 3.49Å; S510-E512 PolarHBondContact O-N 2.81Å; S510-E512 PolarHBondContact OG-N 2.79Å; E512-Q563 PolarHBondContact O-NE2 3.19Å; E512-R574 WeakPolarHBondContact O-CB 3.4Å
513	V	93.2	Very high	94.6	Very high	28 Å²	28	32.4 Å²	32.4	17%	0.17	18%	0.178	C	C	.	.			trans	-87.3	115.1	-174.5	174.7	0	0	0	0	109.6	W487 S510	W487-V513 PolarHBondContact NE1-O 3.23Å; S510-V513 PolarHBondContact O-N 2.82Å; S510-V513 VanDerWaalsContact O-N 3.13Å
514	A	96.9	Very high	95.1	Very high	2 Å²	2	31 Å²	31	2%	0.017	17%	0.166	C	C	.	.			trans	-83.1	179.3	171.7	0	0	0	0	0	112.2	W558 F559 Q563 W573 S590	A514-W558 HydrophobicContact CB-CH2 3.63Å; A514-W558 HydrophobicContact CB-CZ3 3.61Å; A514-F559 HydrophobicContact CB-CD1 4.46Å; A514-F559 HydrophobicContact CB-CE1 3.78Å; A514-F559 HydrophobicContact CB-CZ 4.38Å; A514-Q563 HydrophobicContact CB-CG 4.02Å; A514-W573 HydrophobicContact CB-CE3 4.05Å; A514-W573 HydrophobicContact CB-CZ3 3.66Å; A514-S590 WeakPolarHBondContact O-CA 3.35Å
515	N	97.8	Very high	95.6	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.141	C	C	.	.			trans	-144.4	159.1	164.2	-141.3	-158.9	0	0	0	110.1	L453 W454 R490 F559 S590	L453-N515 HydrophobicContact CD2-CB 4.25Å; W454-N515 WeakPolarHBondContact CB-OD1 3.21Å; W454-N515 VanDerWaalsContact CD1-OD1 3.32Å; R490-N515 HydrophobicContact CB-CB 3.85Å; N515-F559 WeakPolarHBondContact O-CZ 3.4Å; N515-S590 VanDerWaalsContact CA-O 3.26Å; N515-S590 WeakPolarHBondContact CA-O 3.34Å; N515-S590 PolarHBondContact ND2-O 3.49Å
516	P	98.7	Very high	96.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.			trans	-48.3	132.4	174.9	-31.8	37.9	0	0	0	112	W454 S518 W573 S590 S591 W614	W454-P516 HydrophobicContact CB-CB 4.09Å; W454-P516 HydrophobicContact CB-CG 4.24Å; W454-P516 HydrophobicContact CE3-CB 4.5Å; W454-P516 HydrophobicContact CE3-CG 4.24Å; P516-S518 PolarHBondContact O-N 3.33Å; P516-W573 HydrophobicContact CG-CH2 4.19Å; P516-W573 HydrophobicContact CG-CZ2 4.31Å; P516-S590 WeakPolarHBondContact CD-O 3.14Å; P516-S591 WeakPolarHBondContact CG-O 3.41Å; P516-W614 HydrophobicContact CB-CD2 4.19Å; P516-W614 HydrophobicContact CB-CG 4.49Å; P516-W614 HydrophobicContact CB-CZ2 3.93Å
517	P	98.6	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.			trans	-75.9	47.2	-178.7	32.5	-36.7	0	0	0	112	L519 I520 W555 F559 W614 F618	P517-L519 PolarHBondContact O-N 3.46Å; P517-L519 VanDerWaalsContact O-N 3.12Å; P517-I520 WeakPolarHBondContact O-CB 3.42Å; P517-I520 WeakPolarHBondContact O-CG2 3.39Å; P517-I520 PolarHBondContact O-N 3.01Å; P517-W555 HydrophobicContact CB-CH2 3.46Å; P517-W555 VanDerWaalsContact CB-CH2 3.46Å; P517-W555 HydrophobicContact CB-CZ2 3.79Å; P517-W555 HydrophobicContact CB-CZ3 3.85Å; P517-F559 HydrophobicContact CB-CE2 3.91Å; P517-F559 HydrophobicContact CB-CZ 4.07Å; P517-F559 HydrophobicContact CG-CE2 4.46Å; P517-F559 HydrophobicContact CG-CZ 4.37Å; P517-W614 HydrophobicContact CG-CB 3.94Å; P517-W614 HydrophobicContact CG-CE3 4.4Å; P517-W614 HydrophobicContact CG-CG 4.4Å; P517-F618 HydrophobicContact CB-CD1 3.82Å; P517-F618 HydrophobicContact CB-CE1 4.07Å; P517-F618 HydrophobicContact CG-CD1 4.01Å
518	S	98.7	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.8	-168.7	68.8	0	0	0	0	113.6	W454 G457 P516 I520 L521	W454-S518 WeakPolarHBondContact CA-OG 3.45Å; W454-S518 WeakPolarHBondContact O-CB 3.26Å; W454-S518 PolarHBondContact O-OG 2.99Å; G457-S518 VanDerWaalsContact CA-C 3.45Å; G457-S518 VanDerWaalsContact CA-O 3.22Å; G457-S518 WeakPolarHBondContact CA-O 3.46Å; G457-S518 WeakPolarHBondContact CA-OG 3.36Å; G457-S518 PolarHBondContact N-OG 2.93Å; P516-S518 PolarHBondContact O-N 3.33Å; S518-I520 PolarHBondContact O-N 2.95Å; S518-L521 WeakPolarHBondContact O-CB 3.31Å; S518-L521 WeakPolarHBondContact O-CG 3.19Å; S518-L521 PolarHBondContact O-N 2.93Å
519	L	98.8	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-51	-29.2	170.3	-63.9	-177.9	0	0	0	111.5	L453 E456 V475 W478 P517 L521 T522 V523 W555	L453-L519 HydrophobicContact CD1-CD1 3.74Å; L453-L519 HydrophobicContact CD1-CG 4.08Å; E456-L519 HydrophobicContact CB-CD2 3.93Å; E456-L519 HydrophobicContact CG-CD2 4.02Å; V475-L519 HydrophobicContact CG2-CD2 4.45Å; W478-L519 HydrophobicContact CB-CD1 3.73Å; W478-L519 HydrophobicContact CG-CD1 4.28Å; W478-L519 HydrophobicContact CG-CD2 4.48Å; P517-L519 PolarHBondContact O-N 3.46Å; P517-L519 VanDerWaalsContact O-N 3.12Å; L519-L521 PolarHBondContact O-N 3.37Å; L519-T522 WeakPolarHBondContact O-CB 3.37Å; L519-T522 PolarHBondContact O-N 2.88Å; L519-V523 PolarHBondContact O-N 3.47Å; L519-V523 VanDerWaalsContact O-N 3.11Å; L519-W555 HydrophobicContact CB-CH2 4.08Å; L519-W555 HydrophobicContact CB-CZ3 4.11Å; L519-W555 HydrophobicContact CD1-CH2 4.21Å; L519-W555 HydrophobicContact CD1-CZ3 4.47Å; L519-W555 HydrophobicContact CG-CH2 4.26Å
520	I	98.7	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-25.7	176.8	-151.7	65.7	0	0	0	113.5	P517 S518 T522 V523 E524 L552 L617 F618 V621	P517-I520 WeakPolarHBondContact O-CB 3.42Å; P517-I520 WeakPolarHBondContact O-CG2 3.39Å; P517-I520 PolarHBondContact O-N 3.01Å; S518-I520 PolarHBondContact O-N 2.95Å; I520-T522 VanDerWaalsContact C-N 3.3Å; I520-T522 PolarHBondContact O-N 3.38Å; I520-V523 HydrophobicContact CD1-CB 4.13Å; I520-V523 HydrophobicContact CD1-CG1 4.44Å; I520-V523 HydrophobicContact CD1-CG2 4.25Å; I520-V523 PolarHBondContact O-N 3.45Å; I520-E524 WeakPolarHBondContact O-CB 3.38Å; I520-E524 PolarHBondContact O-N 3.37Å; I520-L552 HydrophobicContact CD1-CD1 4.34Å; I520-L617 HydrophobicContact CG2-CD2 3.69Å; I520-L617 HydrophobicContact CG2-CG 3.9Å; I520-F618 HydrophobicContact CB-CD2 4.34Å; I520-F618 HydrophobicContact CD1-CD2 3.56Å; I520-F618 HydrophobicContact CD1-CE2 3.7Å; I520-F618 HydrophobicContact CG1-CD2 3.72Å; I520-F618 HydrophobicContact CG1-CE2 4.32Å; I520-F618 HydrophobicContact CG1-CG 4.4Å; I520-V621 HydrophobicContact CD1-CB 3.85Å; I520-V621 HydrophobicContact CD1-CG1 3.55Å; I520-V621 HydrophobicContact CG1-CB 3.52Å; I520-V621 HydrophobicContact CG1-CG1 3.61Å; I520-V621 HydrophobicContact CG1-CG2 3.95Å
521	L	98.7	Very high	97.1	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-40.7	170.8	-63.9	170.9	0	0	0	110.7	F458 L461 S518 L519 E524 A525 W614 L617 L798	F458-L521 HydrophobicContact CD1-CD1 4.14Å; F458-L521 HydrophobicContact CE1-CD1 3.8Å; F458-L521 HydrophobicContact CZ-CD1 4.13Å; L461-L521 HydrophobicContact CD1-CB 4.39Å; L461-L521 HydrophobicContact CD2-CB 4.11Å; L461-L521 WeakPolarHBondContact CD2-O 3.46Å; L461-L521 HydrophobicContact CG-CB 4.38Å; S518-L521 WeakPolarHBondContact O-CB 3.31Å; S518-L521 WeakPolarHBondContact O-CG 3.19Å; S518-L521 PolarHBondContact O-N 2.93Å; L519-L521 PolarHBondContact O-N 3.37Å; L521-E524 PolarHBondContact O-N 3.13Å; L521-A525 WeakPolarHBondContact O-CB 3.37Å; L521-A525 PolarHBondContact O-N 2.94Å; L521-W614 HydrophobicContact CD1-CH2 3.95Å; L521-W614 HydrophobicContact CD1-CZ3 4.15Å; L521-W614 HydrophobicContact CD2-CZ3 4.28Å; L521-W614 HydrophobicContact CG-CH2 4.4Å; L521-W614 HydrophobicContact CG-CZ3 4.09Å; L521-L617 HydrophobicContact CD2-CD2 3.62Å; L521-L617 HydrophobicContact CG-CD2 4.33Å; L521-L798 HydrophobicContact CD1-CD2 4.44Å; L521-L798 HydrophobicContact CD2-CD2 4.31Å
522	T	98.6	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.5	-40.6	177.6	-60.8	0	0	0	0	111.1	G457 G460 A471 V475 L519 I520 A525 L526	G457-T522 PolarHBondContact O-OG1 3.46Å; G460-T522 VanDerWaalsContact C-OG1 3.31Å; G460-T522 WeakPolarHBondContact CA-OG1 3.5Å; A471-T522 HydrophobicContact CB-CG2 4.06Å; V475-T522 HydrophobicContact CG2-CG2 3.64Å; L519-T522 WeakPolarHBondContact O-CB 3.37Å; L519-T522 PolarHBondContact O-N 2.88Å; I520-T522 VanDerWaalsContact C-N 3.3Å; I520-T522 PolarHBondContact O-N 3.38Å; T522-A525 PolarHBondContact O-N 2.92Å; T522-L526 HydrophobicContact CG2-CD1 4.24Å; T522-L526 WeakPolarHBondContact O-CG 3.46Å; T522-L526 PolarHBondContact O-N 3.41Å
523	V	98.9	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174.3	-177.6	0	0	0	0	110.8	V475 L519 I520 L526 L527 W544 I548 L552 V621 L625	V475-V523 HydrophobicContact CG1-CG2 4.4Å; L519-V523 PolarHBondContact O-N 3.47Å; L519-V523 VanDerWaalsContact O-N 3.11Å; I520-V523 HydrophobicContact CD1-CB 4.13Å; I520-V523 HydrophobicContact CD1-CG1 4.44Å; I520-V523 HydrophobicContact CD1-CG2 4.25Å; I520-V523 PolarHBondContact O-N 3.45Å; V523-L526 PolarHBondContact O-N 3.25Å; V523-L527 HydrophobicContact CG1-CD1 4.08Å; V523-L527 WeakPolarHBondContact O-CG 3.41Å; V523-L527 PolarHBondContact O-N 2.92Å; V523-W544 HydrophobicContact CG2-CH2 4.11Å; V523-I548 HydrophobicContact CG2-CD1 4.5Å; V523-L552 HydrophobicContact CG2-CD1 4.25Å; V523-V621 HydrophobicContact CB-CG1 4.15Å; V523-V621 HydrophobicContact CG1-CG1 3.89Å; V523-L625 HydrophobicContact CG1-CD1 4.5Å; V523-L625 HydrophobicContact CG1-CD2 4.25Å
524	E	98.5	Very high	97.4	Very high	36 Å²	36	29.3 Å²	29.3	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-47.2	175.5	-168.8	175.7	-132.5	0	0	111	I520 L521 L526 L527 D528 R620 V621	I520-E524 WeakPolarHBondContact O-CB 3.38Å; I520-E524 PolarHBondContact O-N 3.37Å; L521-E524 PolarHBondContact O-N 3.13Å; E524-L526 VanDerWaalsContact C-N 3.32Å; E524-L526 PolarHBondContact O-N 2.59Å; E524-L527 WeakPolarHBondContact O-CB 3.13Å; E524-L527 PolarHBondContact O-N 3.45Å; E524-D528 PolarHBondContact O-N 3.31Å; E524-R620 IonicContact OE1-NE 2.81Å; E524-R620 IonicContact OE1-NH2 3.36Å; E524-V621 HydrophobicContact CB-CG1 4.24Å; E524-V621 HydrophobicContact CB-CG2 3.75Å; E524-V621 HydrophobicContact CG-CG2 3.94Å
525	A	97.9	Very high	97.3	Very high	17 Å²	17	34.7 Å²	34.7	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-37.3	178.4	0	0	0	0	0	113	L461 A464 L521 T522 R529	L461-A525 HydrophobicContact CD2-CB 3.63Å; A464-A525 HydrophobicContact CB-CB 4.25Å; L521-A525 WeakPolarHBondContact O-CB 3.37Å; L521-A525 PolarHBondContact O-N 2.94Å; T522-A525 PolarHBondContact O-N 2.92Å; A525-R529 WeakPolarHBondContact O-CB 3.24Å; A525-R529 WeakPolarHBondContact O-CG 3.35Å; A525-R529 PolarHBondContact O-N 3.06Å; A525-R529 VanDerWaalsContact O-N 3.17Å
526	L	98.4	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-42.4	174.7	-72.1	167.7	0	0	0	111.7	A464 P468 A471 M472 T522 V523 E524 D528 R529 L530 F541 W544	A464-L526 HydrophobicContact CB-CD2 3.89Å; A464-L526 HydrophobicContact CB-CG 4.09Å; P468-L526 HydrophobicContact CB-CD2 3.89Å; A471-L526 HydrophobicContact CB-CD1 4.27Å; A471-L526 HydrophobicContact CB-CD2 4.2Å; M472-L526 HydrophobicContact CG-CD1 3.77Å; M472-L526 HydrophobicContact CG-CD2 4.49Å; T522-L526 HydrophobicContact CG2-CD1 4.24Å; T522-L526 WeakPolarHBondContact O-CG 3.46Å; T522-L526 PolarHBondContact O-N 3.41Å; V523-L526 PolarHBondContact O-N 3.25Å; E524-L526 VanDerWaalsContact C-N 3.32Å; E524-L526 PolarHBondContact O-N 2.59Å; L526-D528 VanDerWaalsContact C-N 3.35Å; L526-D528 PolarHBondContact O-N 2.97Å; L526-R529 PolarHBondContact O-N 3.4Å; L526-L530 PolarHBondContact O-N 2.95Å; L526-F541 HydrophobicContact CB-CD2 4.19Å; L526-F541 HydrophobicContact CB-CE2 3.72Å; L526-W544 HydrophobicContact CD1-CH2 3.67Å; L526-W544 HydrophobicContact CD1-CZ2 4.28Å; L526-W544 HydrophobicContact CD1-CZ3 4.02Å
527	L	98.3	Very high	96.9	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-43.9	175	-77	164.4	0	0	0	111.9	V523 E524 R529 L530 F541 V621 K624 L625 V628	V523-L527 HydrophobicContact CG1-CD1 4.08Å; V523-L527 WeakPolarHBondContact O-CG 3.41Å; V523-L527 PolarHBondContact O-N 2.92Å; E524-L527 WeakPolarHBondContact O-CB 3.13Å; E524-L527 PolarHBondContact O-N 3.45Å; L527-R529 PolarHBondContact O-N 2.82Å; L527-L530 WeakPolarHBondContact O-CB 3.32Å; L527-L530 PolarHBondContact O-N 2.68Å; L527-F541 HydrophobicContact CD2-CE1 4.21Å; L527-F541 HydrophobicContact CD2-CZ 3.65Å; L527-F541 HydrophobicContact CG-CZ 4.05Å; L527-V621 HydrophobicContact CD1-CG1 3.96Å; L527-K624 HydrophobicContact CB-CD 4.26Å; L527-K624 HydrophobicContact CD1-CB 4.32Å; L527-K624 HydrophobicContact CD1-CD 4.18Å; L527-K624 HydrophobicContact CD1-CG 4.13Å; L527-L625 HydrophobicContact CD1-CB 4.13Å; L527-L625 HydrophobicContact CD1-CD1 4.46Å; L527-L625 HydrophobicContact CD2-CD1 4.08Å; L527-V628 HydrophobicContact CD2-CB 4.21Å; L527-V628 HydrophobicContact CD2-CG1 4.45Å; L527-V628 HydrophobicContact CD2-CG2 3.91Å
528	D	95.9	Very high	96.7	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-29.3	178.1	-73.2	-8.9	0	0	0	112.4	E524 L526 K624	E524-D528 PolarHBondContact O-N 3.31Å; L526-D528 VanDerWaalsContact C-N 3.35Å; L526-D528 PolarHBondContact O-N 2.97Å; D528-K624 IonicContact OD1-NZ 3.47Å; D528-K624 PolarHBondContact OD1-NZ 3.2Å
529	R	94.8	Very high	96.5	Very high	23 Å²	23	44.6 Å²	44.6	9%	0.087	25%	0.25	C	S	.	.	H	α-helix	trans	-87.2	-9.7	178.7	-71.3	177.2	72.4	90.5	-3.6	114	A464 R465 A525 L526 L527 P531 R532 L533	A464-R529 WeakPolarHBondContact O-CD 3.26Å; A464-R529 PolarHBondContact O-NE 3.02Å; R465-R529 PolarHBondContact O-NH2 3.04Å; A525-R529 WeakPolarHBondContact O-CB 3.24Å; A525-R529 WeakPolarHBondContact O-CG 3.35Å; A525-R529 PolarHBondContact O-N 3.06Å; A525-R529 VanDerWaalsContact O-N 3.17Å; L526-R529 PolarHBondContact O-N 3.4Å; L527-R529 PolarHBondContact O-N 2.82Å; R529-P531 VanDerWaalsContact C-N 3.28Å; R529-P531 VanDerWaalsContact O-N 3.12Å; R529-R532 CarbonylContact O-C 3.47Å; R529-R532 WeakPolarHBondContact O-CA 3.4Å; R529-R532 WeakPolarHBondContact O-CB 3.32Å; R529-R532 PolarHBondContact O-N 3.08Å; R529-L533 HydrophobicContact CB-CD2 4.42Å; R529-L533 PolarHBondContact O-N 3Å
530	L	96.3	Very high	96.2	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.199	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-46.4	-43.2	-178.3	-175.1	61	0	0	0	113.7	L526 L527 R532 L533 A538 F541 V628 F632	L526-L530 PolarHBondContact O-N 2.95Å; L527-L530 WeakPolarHBondContact O-CB 3.32Å; L527-L530 PolarHBondContact O-N 2.68Å; L530-R532 PolarHBondContact O-N 3.5Å; L530-L533 HydrophobicContact CD1-CD1 3.94Å; L530-L533 PolarHBondContact O-N 2.94Å; L530-A538 HydrophobicContact CD1-CB 4.46Å; L530-F541 HydrophobicContact CD1-CD1 3.69Å; L530-F541 HydrophobicContact CD1-CE1 4.18Å; L530-F541 HydrophobicContact CD1-CG 4.2Å; L530-F541 HydrophobicContact CD2-CD1 4.5Å; L530-F541 HydrophobicContact CD2-CE1 4.25Å; L530-V628 HydrophobicContact CD2-CG1 3.92Å; L530-F632 HydrophobicContact CD1-CZ 4.48Å; L530-F632 HydrophobicContact CD2-CZ 4.08Å
531	P	95.8	Very high	96.1	Very high	120 Å²	120	46.7 Å²	46.7	78%	0.779	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-67.4	-16.2	177.3	-20.4	34.2	0	0	0	115.2	R529	R529-P531 VanDerWaalsContact C-N 3.28Å; R529-P531 VanDerWaalsContact O-N 3.12Å
532	R	93.8	Very high	96	Very high	175 Å²	175	49.8 Å²	49.8	66%	0.66	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-106.3	-0.4	-178.7	-55.6	-178.5	-172.3	171	2.7	112.6	R529 L530	R529-R532 CarbonylContact O-C 3.47Å; R529-R532 WeakPolarHBondContact O-CA 3.4Å; R529-R532 WeakPolarHBondContact O-CB 3.32Å; R529-R532 PolarHBondContact O-N 3.08Å; L530-R532 PolarHBondContact O-N 3.5Å
533	L	95	Very high	95.7	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.11	28%	0.282	C	S	.	.	S	Bend	trans	-73.1	145	176.2	-64.7	-173	0	0	0	110.2	P468 R529 L530 E537 A538 F541	P468-L533 HydrophobicContact CB-CD2 3.81Å; P468-L533 HydrophobicContact CG-CD2 3.52Å; R529-L533 HydrophobicContact CB-CD2 4.42Å; R529-L533 PolarHBondContact O-N 3Å; L530-L533 HydrophobicContact CD1-CD1 3.94Å; L530-L533 PolarHBondContact O-N 2.94Å; L533-E537 HydrophobicContact CB-CB 3.94Å; L533-E537 HydrophobicContact CD1-CB 4.37Å; L533-E537 HydrophobicContact CD2-CB 4.22Å; L533-E537 HydrophobicContact CG-CB 4.39Å; L533-A538 HydrophobicContact CB-CB 4.21Å; L533-F541 HydrophobicContact CD1-CB 4.08Å; L533-F541 HydrophobicContact CD1-CG 4.38Å
534	T	95.3	Very high	95.5	Very high	74 Å²	74	52.8 Å²	52.8	45%	0.454	28%	0.283	S	S	.	.			trans	-63.3	162	166.1	62.4	0	0	0	0	110.2	A536 E537 A538	T534-A536 PolarHBondContact O-N 3.47Å; T534-E537 WeakPolarHBondContact CB-OE2 3.48Å; T534-E537 WeakPolarHBondContact CG2-OE2 3.43Å; T534-E537 PolarHBondContact N-OE2 2.8Å; T534-E537 PolarHBondContact O-N 3.22Å; T534-E537 WeakPolarHBondContact OG1-CB 3.26Å; T534-E537 WeakPolarHBondContact OG1-CG 3.46Å; T534-E537 PolarHBondContact OG1-N 3.35Å; T534-E537 PolarHBondContact OG1-OE2 3.33Å; T534-A538 WeakPolarHBondContact O-CB 3.31Å; T534-A538 PolarHBondContact O-N 2.93Å
535	V	96	Very high	95.5	Very high	116 Å²	116	51.1 Å²	51.1	70%	0.703	28%	0.275	S	S	*	.	H	α-helix	trans	-56.3	-41.1	178.5	177.9	0	0	0	0	111.7	A538 N539	V535-A538 PolarHBondContact O-N 3.41Å; V535-N539 WeakPolarHBondContact O-CB 3.29Å; V535-N539 VanDerWaalsContact O-CG 3.28Å; V535-N539 PolarHBondContact O-N 3.43Å; V535-N539 PolarHBondContact O-ND2 3.03Å
536	A	92.5	Very high	95.3	Very high	69 Å²	69	53 Å²	53	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-65.5	-47.1	177.9	0	0	0	0	0	112.1	T534 A538 N539 E540	T534-A536 PolarHBondContact O-N 3.47Å; A536-A538 VanDerWaalsContact C-N 3.34Å; A536-A538 PolarHBondContact O-N 2.9Å; A536-N539 PolarHBondContact O-N 2.79Å; A536-E540 PolarHBondContact O-N 2.89Å
537	E	94.4	Very high	95.2	Very high	15 Å²	15	55 Å²	55	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-39.1	176.3	-70.8	163.9	149.8	0	0	111.8	R385 P468 L533 T534 E540 F541	R385-E537 IonicContact NH2-OE1 2.98Å; P468-E537 WeakPolarHBondContact CD-OE1 3.21Å; L533-E537 HydrophobicContact CB-CB 3.94Å; L533-E537 HydrophobicContact CD1-CB 4.37Å; L533-E537 HydrophobicContact CD2-CB 4.22Å; L533-E537 HydrophobicContact CG-CB 4.39Å; T534-E537 WeakPolarHBondContact CB-OE2 3.48Å; T534-E537 WeakPolarHBondContact CG2-OE2 3.43Å; T534-E537 PolarHBondContact N-OE2 2.8Å; T534-E537 PolarHBondContact O-N 3.22Å; T534-E537 WeakPolarHBondContact OG1-CB 3.26Å; T534-E537 WeakPolarHBondContact OG1-CG 3.46Å; T534-E537 PolarHBondContact OG1-N 3.35Å; T534-E537 PolarHBondContact OG1-OE2 3.33Å; E537-E540 PolarHBondContact O-N 3.44Å; E537-F541 WeakPolarHBondContact O-CB 3.43Å; E537-F541 PolarHBondContact O-N 2.97Å
538	A	96.3	Very high	95.2	Very high	26 Å²	26	54.6 Å²	54.6	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-38.7	178.2	0	0	0	0	0	112.3	L530 L533 T534 V535 A536 F541 R542	L530-A538 HydrophobicContact CD1-CB 4.46Å; L533-A538 HydrophobicContact CB-CB 4.21Å; T534-A538 WeakPolarHBondContact O-CB 3.31Å; T534-A538 PolarHBondContact O-N 2.93Å; V535-A538 PolarHBondContact O-N 3.41Å; A536-A538 VanDerWaalsContact C-N 3.34Å; A536-A538 PolarHBondContact O-N 2.9Å; A538-F541 PolarHBondContact O-N 3.29Å; A538-R542 WeakPolarHBondContact O-CB 3.39Å; A538-R542 PolarHBondContact O-N 2.94Å
539	N	93.7	Very high	95.3	Very high	100 Å²	100	50.6 Å²	50.6	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-42.3	173.6	-76.3	-24.6	0	0	0	111.6	V535 A536 R542 R543	V535-N539 WeakPolarHBondContact O-CB 3.29Å; V535-N539 VanDerWaalsContact O-CG 3.28Å; V535-N539 PolarHBondContact O-N 3.43Å; V535-N539 PolarHBondContact O-ND2 3.03Å; A536-N539 PolarHBondContact O-N 2.79Å; N539-R542 WeakPolarHBondContact O-CB 3.43Å; N539-R542 PolarHBondContact O-N 3.31Å; N539-R543 PolarHBondContact O-N 2.88Å; N539-R543 VanDerWaalsContact O-N 3.1Å
540	E	93	Very high	95.4	Very high	44 Å²	44	51.4 Å²	51.4	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-41.6	176.3	-176.6	56.3	-165.6	0	0	111.4	M472 A536 E537 R542 R543 W544	M472-E540 HydrophobicContact CE-CB 4.03Å; M472-E540 HydrophobicContact CE-CG 3.66Å; A536-E540 PolarHBondContact O-N 2.89Å; E537-E540 PolarHBondContact O-N 3.44Å; E540-R542 VanDerWaalsContact C-N 3.32Å; E540-R542 PolarHBondContact O-N 3.36Å; E540-R543 PolarHBondContact O-N 3.19Å; E540-R543 IonicContact OE1-CZ 2.9Å; E540-R543 IonicContact OE1-NE 2.81Å; E540-R543 PolarHBondContact OE1-NE 2.92Å; E540-R543 IonicContact OE1-NH2 2.93Å; E540-R543 PolarHBondContact OE1-NH2 2.56Å; E540-R543 IonicContact OE2-CZ 3.01Å; E540-R543 IonicContact OE2-NE 3.63Å; E540-R543 PolarHBondContact OE2-NE 2.96Å; E540-R543 IonicContact OE2-NH2 3.8Å; E540-W544 VanDerWaalsContact O-CB 3.24Å; E540-W544 WeakPolarHBondContact O-CB 3.36Å; E540-W544 PolarHBondContact O-N 3.15Å
541	F	96.5	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-41.2	172.5	-178.4	-87.8	0	0	0	112.4	M472 L526 L527 L530 L533 E537 A538 W544 S545 L625 V628 F632	M472-F541 HydrophobicContact CE-CB 4.47Å; M472-F541 WeakPolarHBondContact SD-CA 3.48Å; M472-F541 HydrophobicContact SD-CB 3.87Å; M472-F541 HydrophobicContact SD-CD2 3.93Å; M472-F541 HydrophobicContact SD-CG 4.36Å; L526-F541 HydrophobicContact CB-CD2 4.19Å; L526-F541 HydrophobicContact CB-CE2 3.72Å; L527-F541 HydrophobicContact CD2-CE1 4.21Å; L527-F541 HydrophobicContact CD2-CZ 3.65Å; L527-F541 HydrophobicContact CG-CZ 4.05Å; L530-F541 HydrophobicContact CD1-CD1 3.69Å; L530-F541 HydrophobicContact CD1-CE1 4.18Å; L530-F541 HydrophobicContact CD1-CG 4.2Å; L530-F541 HydrophobicContact CD2-CD1 4.5Å; L530-F541 HydrophobicContact CD2-CE1 4.25Å; L533-F541 HydrophobicContact CD1-CB 4.08Å; L533-F541 HydrophobicContact CD1-CG 4.38Å; E537-F541 WeakPolarHBondContact O-CB 3.43Å; E537-F541 PolarHBondContact O-N 2.97Å; A538-F541 PolarHBondContact O-N 3.29Å; F541-W544 AromaticContact CD2-CE3 3.96Å; F541-W544 HydrophobicContact CD2-CE3 3.96Å; F541-W544 HydrophobicContact CD2-CZ3 4.03Å; F541-W544 AromaticContact CE2-CE3 3.96Å; F541-W544 HydrophobicContact CE2-CE3 3.96Å; F541-W544 AromaticContact CE2-CZ3 3.62Å; F541-W544 HydrophobicContact CE2-CZ3 3.62Å; F541-W544 HydrophobicContact CZ-CZ3 4.38Å; F541-W544 PolarHBondContact O-N 3.09Å; F541-S545 WeakPolarHBondContact O-CB 3.34Å; F541-S545 PolarHBondContact O-N 3.18Å; F541-S545 PolarHBondContact O-OG 3.44Å; F541-L625 HydrophobicContact CZ-CD1 4.48Å; F541-V628 HydrophobicContact CE1-CG1 4.14Å; F541-F632 HydrophobicContact CD1-CE2 4.03Å; F541-F632 HydrophobicContact CD1-CZ 4.28Å; F541-F632 HydrophobicContact CE1-CE2 4.13Å
542	R	95.4	Very high	95.6	Very high	75 Å²	75	44 Å²	44	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-49	174.8	174.5	175.7	-176.9	-164.8	6.6	111.3	A538 N539 E540 S545 I546 F632 T635	A538-R542 WeakPolarHBondContact O-CB 3.39Å; A538-R542 PolarHBondContact O-N 2.94Å; N539-R542 WeakPolarHBondContact O-CB 3.43Å; N539-R542 PolarHBondContact O-N 3.31Å; E540-R542 VanDerWaalsContact C-N 3.32Å; E540-R542 PolarHBondContact O-N 3.36Å; R542-S545 PolarHBondContact O-OG 3.25Å; R542-I546 HydrophobicContact CG-CD1 4.27Å; R542-I546 WeakPolarHBondContact O-CD1 3.34Å; R542-I546 WeakPolarHBondContact O-CG1 3.38Å; R542-I546 PolarHBondContact O-N 2.86Å; R542-F632 HydrophobicContact CB-CD2 3.95Å; R542-F632 HydrophobicContact CB-CE2 3.9Å; R542-F632 HydrophobicContact CB-CG 4.29Å; R542-F632 HydrophobicContact CB-CZ 4.21Å; R542-F632 HydrophobicContact CG-CB 3.94Å; R542-F632 HydrophobicContact CG-CD1 4.2Å; R542-F632 HydrophobicContact CG-CD2 3.7Å; R542-F632 HydrophobicContact CG-CE2 4.18Å; R542-F632 HydrophobicContact CG-CG 3.7Å; R542-F632 PolarHBondContact NH2-O 2.85Å; R542-T635 PolarHBondContact NH2-OG1 3.32Å
543	R	92.8	Very high	95.8	Very high	62 Å²	62	38 Å²	38	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-47.9	178.2	-171.9	-168.9	71.6	74.9	-6	111.4	R122 N539 E540 L547	R122-R543 VanDerWaalsContact NH1-CZ 3.35Å; N539-R543 PolarHBondContact O-N 2.88Å; N539-R543 VanDerWaalsContact O-N 3.1Å; E540-R543 PolarHBondContact O-N 3.19Å; E540-R543 IonicContact OE1-CZ 2.9Å; E540-R543 IonicContact OE1-NE 2.81Å; E540-R543 PolarHBondContact OE1-NE 2.92Å; E540-R543 IonicContact OE1-NH2 2.93Å; E540-R543 PolarHBondContact OE1-NH2 2.56Å; E540-R543 IonicContact OE2-CZ 3.01Å; E540-R543 IonicContact OE2-NE 3.63Å; E540-R543 PolarHBondContact OE2-NE 2.96Å; E540-R543 IonicContact OE2-NH2 3.8Å; R543-L547 PolarHBondContact O-N 3.43Å
544	W	95.9	Very high	96	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-47.1	-178.5	174.8	88.8	0	0	0	112.2	V113 M472 V475 V523 L526 E540 F541 I546 L547 I548	V113-W544 VanDerWaalsContact CG1-CD1 3.48Å; V113-W544 HydrophobicContact CG1-CG 4.5Å; M472-W544 HydrophobicContact CB-CD2 4.03Å; M472-W544 HydrophobicContact CB-CG 3.96Å; M472-W544 HydrophobicContact CB-CZ2 4.47Å; M472-W544 HydrophobicContact CG-CD2 3.67Å; M472-W544 HydrophobicContact CG-CE3 3.95Å; M472-W544 HydrophobicContact CG-CG 3.96Å; M472-W544 HydrophobicContact CG-CH2 4.43Å; M472-W544 HydrophobicContact CG-CZ2 4.2Å; M472-W544 HydrophobicContact CG-CZ3 4.33Å; M472-W544 PolarHBondContact O-NE1 3.02Å; M472-W544 HydrophobicContact SD-CB 3.87Å; M472-W544 HydrophobicContact SD-CD2 3.88Å; M472-W544 HydrophobicContact SD-CE3 3.94Å; M472-W544 HydrophobicContact SD-CG 3.88Å; V475-W544 HydrophobicContact CB-CZ2 3.87Å; V475-W544 HydrophobicContact CG1-CH2 4.43Å; V475-W544 HydrophobicContact CG1-CZ2 3.67Å; V523-W544 HydrophobicContact CG2-CH2 4.11Å; L526-W544 HydrophobicContact CD1-CH2 3.67Å; L526-W544 HydrophobicContact CD1-CZ2 4.28Å; L526-W544 HydrophobicContact CD1-CZ3 4.02Å; E540-W544 VanDerWaalsContact O-CB 3.24Å; E540-W544 WeakPolarHBondContact O-CB 3.36Å; E540-W544 PolarHBondContact O-N 3.15Å; F541-W544 AromaticContact CD2-CE3 3.96Å; F541-W544 HydrophobicContact CD2-CE3 3.96Å; F541-W544 HydrophobicContact CD2-CZ3 4.03Å; F541-W544 AromaticContact CE2-CE3 3.96Å; F541-W544 HydrophobicContact CE2-CE3 3.96Å; F541-W544 AromaticContact CE2-CZ3 3.62Å; F541-W544 HydrophobicContact CE2-CZ3 3.62Å; F541-W544 HydrophobicContact CZ-CZ3 4.38Å; F541-W544 PolarHBondContact O-N 3.09Å; W544-I546 VanDerWaalsContact C-N 3.3Å; W544-I546 PolarHBondContact O-N 3.34Å; W544-L547 PolarHBondContact O-N 3.45Å; W544-I548 HydrophobicContact CD2-CD1 3.88Å; W544-I548 HydrophobicContact CD2-CG2 4.02Å; W544-I548 HydrophobicContact CE3-CD1 3.58Å; W544-I548 HydrophobicContact CE3-CG1 4.48Å; W544-I548 HydrophobicContact CG-CG2 4.28Å; W544-I548 HydrophobicContact CH2-CD1 3.13Å; W544-I548 HydrophobicContact CZ2-CD1 3.43Å; W544-I548 VanDerWaalsContact CZ2-CD1 3.43Å; W544-I548 HydrophobicContact CZ2-CG2 4.08Å; W544-I548 HydrophobicContact CZ3-CD1 3.2Å; W544-I548 HydrophobicContact CZ3-CG1 4.45Å; W544-I548 WeakPolarHBondContact O-CG2 3.32Å; W544-I548 PolarHBondContact O-N 3.28Å
545	S	97.3	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-37.8	-179.3	55.7	0	0	0	0	112.9	F541 R542 L547 L549	F541-S545 WeakPolarHBondContact O-CB 3.34Å; F541-S545 PolarHBondContact O-N 3.18Å; F541-S545 PolarHBondContact O-OG 3.44Å; R542-S545 PolarHBondContact O-OG 3.25Å; S545-L547 VanDerWaalsContact C-N 3.3Å; S545-L547 PolarHBondContact O-N 3.1Å; S545-L549 WeakPolarHBondContact O-CB 3.48Å; S545-L549 PolarHBondContact O-N 3.32Å; S545-L549 VanDerWaalsContact O-N 3.16Å
546	I	94.7	Very high	96.3	Very high	57 Å²	57	29.8 Å²	29.8	29%	0.292	16%	0.161	S	C	.	.	H	α-helix	trans	-63.1	-35.8	174.4	-69	165.8	0	0	0	111.6	R542 W544 P550 V629	R542-I546 HydrophobicContact CG-CD1 4.27Å; R542-I546 WeakPolarHBondContact O-CD1 3.34Å; R542-I546 WeakPolarHBondContact O-CG1 3.38Å; R542-I546 PolarHBondContact O-N 2.86Å; W544-I546 VanDerWaalsContact C-N 3.3Å; W544-I546 PolarHBondContact O-N 3.34Å; I546-P550 WeakPolarHBondContact O-CD 3.44Å; I546-V629 HydrophobicContact CG1-CG1 3.99Å
547	L	95.2	Very high	96.5	Very high	41 Å²	41	29 Å²	29	22%	0.215	15%	0.145	C	C	.	.	H	α-helix	trans	-79.8	-37.3	-178.7	-68.5	171.8	0	0	0	112.9	P111 V113 R543 W544 S545	P111-L547 HydrophobicContact CB-CD2 4.28Å; V113-L547 HydrophobicContact CG2-CB 4.37Å; R543-L547 PolarHBondContact O-N 3.43Å; W544-L547 PolarHBondContact O-N 3.45Å; S545-L547 VanDerWaalsContact C-N 3.3Å; S545-L547 PolarHBondContact O-N 3.1Å
548	I	98	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-80.8	-30.2	-176.9	73.5	179.5	0	0	0	113.1	V113 L479 V523 W544 R551 L552 L625	V113-I548 HydrophobicContact CG1-CG2 3.91Å; V113-I548 HydrophobicContact CG2-CG2 3.95Å; L479-I548 HydrophobicContact CD1-CB 3.68Å; L479-I548 HydrophobicContact CD1-CG2 3.71Å; V523-I548 HydrophobicContact CG2-CD1 4.5Å; W544-I548 HydrophobicContact CD2-CD1 3.88Å; W544-I548 HydrophobicContact CD2-CG2 4.02Å; W544-I548 HydrophobicContact CE3-CD1 3.58Å; W544-I548 HydrophobicContact CE3-CG1 4.48Å; W544-I548 HydrophobicContact CG-CG2 4.28Å; W544-I548 HydrophobicContact CH2-CD1 3.13Å; W544-I548 HydrophobicContact CZ2-CD1 3.43Å; W544-I548 VanDerWaalsContact CZ2-CD1 3.43Å; W544-I548 HydrophobicContact CZ2-CG2 4.08Å; W544-I548 HydrophobicContact CZ3-CD1 3.2Å; W544-I548 HydrophobicContact CZ3-CG1 4.45Å; W544-I548 WeakPolarHBondContact O-CG2 3.32Å; W544-I548 PolarHBondContact O-N 3.28Å; I548-R551 CarbonylContact O-C 3.52Å; I548-R551 WeakPolarHBondContact O-CA 3.37Å; I548-R551 WeakPolarHBondContact O-CB 3.44Å; I548-R551 PolarHBondContact O-N 2.94Å; I548-L552 HydrophobicContact CB-CD1 4.43Å; I548-L552 HydrophobicContact CB-CG 4.49Å; I548-L552 HydrophobicContact CD1-CD1 3.93Å; I548-L552 HydrophobicContact CG1-CD1 3.99Å; I548-L552 WeakPolarHBondContact O-CG 3.41Å; I548-L552 PolarHBondContact O-N 3.29Å; I548-L625 HydrophobicContact CD1-CD2 4.06Å; I548-L625 HydrophobicContact CG1-CD2 4.03Å
549	L	98.2	Very high	96.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-52.7	-49.7	-174.7	177.8	64.4	0	0	0	113	S545 R551 L552 H553 M622 L625 A626 V629 T648 L651	S545-L549 WeakPolarHBondContact O-CB 3.48Å; S545-L549 PolarHBondContact O-N 3.32Å; S545-L549 VanDerWaalsContact O-N 3.16Å; L549-R551 VanDerWaalsContact C-N 3.33Å; L549-R551 PolarHBondContact O-N 3.33Å; L549-L552 PolarHBondContact O-N 3.38Å; L549-H553 PolarHBondContact O-N 2.97Å; L549-M622 HydrophobicContact CD1-CE 3.7Å; L549-M622 HydrophobicContact CD1-SD 4.27Å; L549-L625 HydrophobicContact CB-CD2 4.25Å; L549-L625 HydrophobicContact CD1-CB 4.47Å; L549-L625 HydrophobicContact CD1-CD2 3.91Å; L549-L625 HydrophobicContact CD1-CG 4.08Å; L549-A626 HydrophobicContact CD1-CB 4.15Å; L549-A626 HydrophobicContact CD2-CB 4.29Å; L549-V629 HydrophobicContact CD2-CB 3.96Å; L549-V629 HydrophobicContact CD2-CG1 3.94Å; L549-V629 HydrophobicContact CD2-CG2 4.12Å; L549-T648 HydrophobicContact CD2-CG2 3.87Å; L549-L651 HydrophobicContact CD1-CD1 4.39Å; L549-L651 HydrophobicContact CD2-CD1 4.26Å; L549-L651 HydrophobicContact CG-CD1 4.16Å
550	P	97.2	Very high	96.9	Very high	40 Å²	40	24.1 Å²	24.1	26%	0.26	12%	0.115	S	C	.	.	H	α-helix	trans	-65.2	-34.1	176.6	25.2	-35	0	0	0	112.9	L110 I546 H553 V554	L110-P550 HydrophobicContact CD1-CB 3.91Å; L110-P550 HydrophobicContact CD1-CG 4.18Å; I546-P550 WeakPolarHBondContact O-CD 3.44Å; P550-H553 PolarHBondContact O-N 2.56Å; P550-V554 WeakPolarHBondContact O-CG2 3.2Å; P550-V554 PolarHBondContact O-N 3.43Å
551	R	98.2	Very high	97.1	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.011	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-45.4	176	-64	179.3	175.2	-81.4	-6.4	111.6	L108 L110 P111 L479 D480 M482 I548 L549 H553 V554 W555	L108-R551 HydrophobicContact CD2-CB 4.47Å; L108-R551 HydrophobicContact CD2-CG 4.1Å; L110-R551 VanDerWaalsContact C-NH2 3.3Å; L110-R551 HydrophobicContact CD1-CG 3.73Å; L110-R551 PolarHBondContact O-NH2 2.77Å; P111-R551 PolarHBondContact O-NH2 3.48Å; L479-R551 HydrophobicContact CB-CB 4.48Å; L479-R551 PolarHBondContact O-NH1 3.37Å; L479-R551 VanDerWaalsContact O-NH1 3.14Å; D480-R551 IonicContact OD1-CZ 3.46Å; D480-R551 VanDerWaalsContact OD1-CZ 3.28Å; D480-R551 IonicContact OD1-NE 2.68Å; D480-R551 IonicContact OD1-NH1 3.87Å; D480-R551 IonicContact OD1-NH2 3.54Å; D480-R551 PolarHBondContact OD1-NH2 3.5Å; M482-R551 HydrophobicContact CE-CB 4.39Å; I548-R551 CarbonylContact O-C 3.52Å; I548-R551 WeakPolarHBondContact O-CA 3.37Å; I548-R551 WeakPolarHBondContact O-CB 3.44Å; I548-R551 PolarHBondContact O-N 2.94Å; L549-R551 VanDerWaalsContact C-N 3.33Å; L549-R551 PolarHBondContact O-N 3.33Å; R551-H553 VanDerWaalsContact C-N 3.28Å; R551-H553 PolarHBondContact O-N 3.23Å; R551-V554 PolarHBondContact O-N 2.63Å; R551-W555 PolarHBondContact O-N 3.1Å
552	L	98.7	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-34.2	176.4	-68	177.1	0	0	0	111.5	L479 I520 V523 I548 L549 W555 Y556 F618 M622 L625	L479-L552 HydrophobicContact CD1-CD2 4Å; L479-L552 HydrophobicContact CD1-CG 4.21Å; L479-L552 HydrophobicContact CD2-CD2 3.82Å; I520-L552 HydrophobicContact CD1-CD1 4.34Å; V523-L552 HydrophobicContact CG2-CD1 4.25Å; I548-L552 HydrophobicContact CB-CD1 4.43Å; I548-L552 HydrophobicContact CB-CG 4.49Å; I548-L552 HydrophobicContact CD1-CD1 3.93Å; I548-L552 HydrophobicContact CG1-CD1 3.99Å; I548-L552 WeakPolarHBondContact O-CG 3.41Å; I548-L552 PolarHBondContact O-N 3.29Å; L549-L552 PolarHBondContact O-N 3.38Å; L552-W555 HydrophobicContact CD2-CE3 3.84Å; L552-W555 HydrophobicContact CD2-CZ3 4.27Å; L552-W555 PolarHBondContact O-N 3.39Å; L552-Y556 WeakPolarHBondContact O-CB 3.25Å; L552-Y556 PolarHBondContact O-N 3.31Å; L552-F618 HydrophobicContact CB-CE2 4.27Å; L552-F618 HydrophobicContact CD2-CE2 4.38Å; L552-F618 HydrophobicContact CD2-CZ 4.44Å; L552-F618 WeakPolarHBondContact O-CZ 3.3Å; L552-M622 HydrophobicContact CB-CE 4.03Å; L552-M622 HydrophobicContact CB-SD 3.39Å; L552-M622 WeakPolarHBondContact CB-SD 3.21Å; L552-M622 HydrophobicContact CD1-SD 4.12Å; L552-M622 HydrophobicContact CG-SD 4.4Å; L552-L625 HydrophobicContact CD1-CD2 3.63Å
553	H	98.3	Very high	97.2	Very high	48 Å²	48	24.9 Å²	24.9	22%	0.222	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-48.8	171.6	172	89.1	0	0	0	111.2	L549 P550 R551 W555 Y556 Q557 M622 L651 E654 Y655	L549-H553 PolarHBondContact O-N 2.97Å; P550-H553 PolarHBondContact O-N 2.56Å; R551-H553 VanDerWaalsContact C-N 3.28Å; R551-H553 PolarHBondContact O-N 3.23Å; H553-W555 VanDerWaalsContact C-N 3.31Å; H553-W555 PolarHBondContact O-N 3.32Å; H553-Y556 PolarHBondContact O-N 3.48Å; H553-Q557 VanDerWaalsContact O-CG 3.3Å; H553-Q557 WeakPolarHBondContact O-CG 3.48Å; H553-Q557 PolarHBondContact O-N 3.47Å; H553-M622 HydrophobicContact CB-CE 3.87Å; H553-L651 VanDerWaalsContact ND1-CD2 3.31Å; H553-L651 WeakPolarHBondContact ND1-CD2 3.35Å; H553-E654 IonicContact CE1-OE2 2.97Å; H553-Y655 WeakPolarHBondContact CA-OH 3.4Å; H553-Y655 HydrophobicContact CB-CE2 4.48Å; H553-Y655 AromaticContact ND1-CE2 3.66Å; H553-Y655 AromaticContact ND1-CZ 3.61Å; H553-Y655 PolarHBondContact ND1-OH 2.82Å
554	V	98.2	Very high	97.4	Very high	36 Å²	36	25.7 Å²	25.7	22%	0.218	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-41.6	176.2	175.1	0	0	0	0	111.5	L108 M482 P550 R551 Q557 W558	L108-V554 HydrophobicContact CD1-CG1 4.09Å; L108-V554 HydrophobicContact CD1-CG2 4.4Å; L108-V554 HydrophobicContact CD2-CB 4.4Å; L108-V554 HydrophobicContact CD2-CG1 4.35Å; M482-V554 HydrophobicContact SD-CB 4.35Å; M482-V554 HydrophobicContact SD-CG1 4.13Å; P550-V554 WeakPolarHBondContact O-CG2 3.2Å; P550-V554 PolarHBondContact O-N 3.43Å; R551-V554 PolarHBondContact O-N 2.63Å; V554-Q557 PolarHBondContact O-N 2.83Å; V554-W558 PolarHBondContact O-N 3.2Å
555	W	98.6	Very high	97.5	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-44.4	177.3	-165.8	30.4	0	0	0	112.7	L453 M482 P517 L519 R551 L552 H553 Q557 W558 F559 F618	L453-W555 HydrophobicContact CD1-CZ2 4.49Å; L453-W555 HydrophobicContact CD2-CZ2 4.26Å; M482-W555 HydrophobicContact CE-CB 3.62Å; M482-W555 HydrophobicContact CE-CG 3.98Å; M482-W555 HydrophobicContact SD-CB 4.34Å; P517-W555 HydrophobicContact CB-CH2 3.46Å; P517-W555 VanDerWaalsContact CB-CH2 3.46Å; P517-W555 HydrophobicContact CB-CZ2 3.79Å; P517-W555 HydrophobicContact CB-CZ3 3.85Å; L519-W555 HydrophobicContact CB-CH2 4.08Å; L519-W555 HydrophobicContact CB-CZ3 4.11Å; L519-W555 HydrophobicContact CD1-CH2 4.21Å; L519-W555 HydrophobicContact CD1-CZ3 4.47Å; L519-W555 HydrophobicContact CG-CH2 4.26Å; R551-W555 PolarHBondContact O-N 3.1Å; L552-W555 HydrophobicContact CD2-CE3 3.84Å; L552-W555 HydrophobicContact CD2-CZ3 4.27Å; L552-W555 PolarHBondContact O-N 3.39Å; H553-W555 VanDerWaalsContact C-N 3.31Å; H553-W555 PolarHBondContact O-N 3.32Å; W555-Q557 VanDerWaalsContact C-N 3.35Å; W555-Q557 PolarHBondContact O-N 2.89Å; W555-W558 WeakPolarHBondContact O-CB 3.45Å; W555-W558 PolarHBondContact O-N 3.24Å; W555-F559 AromaticContact CD1-CE2 3.8Å; W555-F559 HydrophobicContact CD2-CE2 4.18Å; W555-F559 AromaticContact CE2-CE2 3.56Å; W555-F559 HydrophobicContact CG-CE2 4.35Å; W555-F559 AromaticContact CZ2-CE2 3.94Å; W555-F559 HydrophobicContact CZ2-CE2 3.94Å; W555-F559 HydrophobicContact CZ2-CZ 4.42Å; W555-F559 AromaticContact NE1-CE2 3.32Å; W555-F559 VanDerWaalsContact NE1-CE2 3.32Å; W555-F559 WeakPolarHBondContact O-CD2 3.46Å; W555-F559 PolarHBondContact O-N 2.86Å; W555-F559 VanDerWaalsContact O-N 3.12Å; W555-F618 HydrophobicContact CB-CE1 4.48Å; W555-F618 HydrophobicContact CB-CZ 4.17Å; W555-F618 AromaticContact CD2-CE1 3.96Å; W555-F618 HydrophobicContact CD2-CE1 3.96Å; W555-F618 AromaticContact CD2-CZ 4Å; W555-F618 HydrophobicContact CD2-CZ 4Å; W555-F618 AromaticContact CE3-CE1 3.64Å; W555-F618 HydrophobicContact CE3-CE1 3.64Å; W555-F618 HydrophobicContact CE3-CE2 4.32Å; W555-F618 AromaticContact CE3-CZ 3.38Å; W555-F618 HydrophobicContact CE3-CZ 3.38Å; W555-F618 HydrophobicContact CG-CE1 4.31Å; W555-F618 HydrophobicContact CG-CZ 4.33Å; W555-F618 HydrophobicContact CZ3-CE1 4.2Å; W555-F618 HydrophobicContact CZ3-CZ 4.08Å
556	Y	98.6	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-46.6	175.4	-175.6	-81.8	0	0	0	111	L552 H553 W558 F559 N560 M615 F618 A619 Y655	L552-Y556 WeakPolarHBondContact O-CB 3.25Å; L552-Y556 PolarHBondContact O-N 3.31Å; H553-Y556 PolarHBondContact O-N 3.48Å; Y556-W558 VanDerWaalsContact C-N 3.28Å; Y556-W558 PolarHBondContact O-N 2.86Å; Y556-F559 PolarHBondContact O-N 2.95Å; Y556-F559 VanDerWaalsContact O-N 3.16Å; Y556-N560 HydrophobicContact CD1-CB 4.29Å; Y556-N560 HydrophobicContact CE1-CB 4.11Å; Y556-N560 WeakPolarHBondContact O-CB 3.42Å; Y556-N560 PolarHBondContact O-N 3.24Å; Y556-M615 HydrophobicContact CD1-CE 4.23Å; Y556-M615 HydrophobicContact CD2-CE 3.8Å; Y556-M615 HydrophobicContact CE1-CE 3.95Å; Y556-M615 HydrophobicContact CE2-CE 3.46Å; Y556-M615 VanDerWaalsContact CE2-CE 3.46Å; Y556-M615 HydrophobicContact CE2-SD 4.48Å; Y556-M615 HydrophobicContact CG-CE 4.17Å; Y556-F618 HydrophobicContact CD2-CB 3.95Å; Y556-F618 AromaticContact CD2-CD1 3.67Å; Y556-F618 HydrophobicContact CD2-CD1 3.67Å; Y556-F618 HydrophobicContact CD2-CD2 4.03Å; Y556-F618 HydrophobicContact CD2-CE1 4.11Å; Y556-F618 HydrophobicContact CD2-CE2 4.41Å; Y556-F618 AromaticContact CD2-CG 3.61Å; Y556-F618 HydrophobicContact CD2-CG 3.61Å; Y556-F618 HydrophobicContact CD2-CZ 4.44Å; Y556-F618 HydrophobicContact CE2-CB 4.1Å; Y556-F618 HydrophobicContact CE2-CD1 4.5Å; Y556-F618 HydrophobicContact CE2-CG 4.28Å; Y556-F618 HydrophobicContact CG-CD1 4.44Å; Y556-F618 HydrophobicContact CG-CE1 4.47Å; Y556-A619 HydrophobicContact CE2-CB 3.87Å; Y556-Y655 AromaticContact CD1-CE1 3.55Å; Y556-Y655 HydrophobicContact CD1-CE1 3.55Å; Y556-Y655 AromaticContact CD2-CE1 3.95Å; Y556-Y655 HydrophobicContact CD2-CE1 3.95Å; Y556-Y655 AromaticContact CE1-CE1 3.83Å; Y556-Y655 HydrophobicContact CE1-CE1 3.83Å; Y556-Y655 HydrophobicContact CE2-CE1 4.22Å; Y556-Y655 AromaticContact CG-CE1 3.62Å; Y556-Y655 HydrophobicContact CG-CE1 3.62Å
557	Q	98.2	Very high	97.6	Very high	53 Å²	53	28.9 Å²	28.9	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-37.5	177.7	-67.3	-63.9	-28.8	0	0	111.5	H553 V554 W555 F559 N560 T561 E654	H553-Q557 VanDerWaalsContact O-CG 3.3Å; H553-Q557 WeakPolarHBondContact O-CG 3.48Å; H553-Q557 PolarHBondContact O-N 3.47Å; V554-Q557 PolarHBondContact O-N 2.83Å; W555-Q557 VanDerWaalsContact C-N 3.35Å; W555-Q557 PolarHBondContact O-N 2.89Å; Q557-F559 PolarHBondContact O-N 3.3Å; Q557-N560 PolarHBondContact O-N 3.15Å; Q557-T561 WeakPolarHBondContact O-CB 3.4Å; Q557-T561 VanDerWaalsContact O-CG2 3.27Å; Q557-T561 WeakPolarHBondContact O-CG2 3.45Å; Q557-T561 PolarHBondContact O-N 3.29Å; Q557-T561 PolarHBondContact O-OG1 3.19Å; Q557-E654 PolarHBondContact NE2-OE1 3.39Å; Q557-E654 VanDerWaalsContact NE2-OE1 3.15Å
558	W	97.7	Very high	97.7	Very high	16 Å²	16	32 Å²	32	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-45.8	173.5	-177.6	84	0	0	0	112.1	N485 W487 A514 V554 W555 Y556 T561 T562 Q563	N485-W558 WeakPolarHBondContact O-CB 3.31Å; W487-W558 HydrophobicContact CB-CD2 4.35Å; W487-W558 HydrophobicContact CB-CZ2 4.09Å; W487-W558 AromaticContact CD1-CE2 3.93Å; W487-W558 AromaticContact CD1-CH2 3.64Å; W487-W558 AromaticContact CD1-CZ2 3.37Å; W487-W558 HydrophobicContact CG-CZ2 4.03Å; A514-W558 HydrophobicContact CB-CH2 3.63Å; A514-W558 HydrophobicContact CB-CZ3 3.61Å; V554-W558 PolarHBondContact O-N 3.2Å; W555-W558 WeakPolarHBondContact O-CB 3.45Å; W555-W558 PolarHBondContact O-N 3.24Å; Y556-W558 VanDerWaalsContact C-N 3.28Å; Y556-W558 PolarHBondContact O-N 2.86Å; W558-T561 PolarHBondContact O-N 2.92Å; W558-T561 PolarHBondContact O-OG1 3.39Å; W558-T561 VanDerWaalsContact O-OG1 3.1Å; W558-T562 HydrophobicContact CD2-CG2 4.32Å; W558-T562 HydrophobicContact CG-CG2 4.32Å; W558-T562 HydrophobicContact CZ2-CG2 4.33Å; W558-T562 WeakPolarHBondContact CZ2-OG1 3.23Å; W558-T562 WeakPolarHBondContact O-CB 3.43Å; W558-T562 WeakPolarHBondContact O-CG2 3.42Å; W558-T562 PolarHBondContact O-N 2.9Å; W558-T562 PolarHBondContact O-OG1 2.73Å; W558-Q563 HydrophobicContact CZ3-CG 4.3Å
559	F	98.2	Very high	97.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-46.3	173.3	-84	-84.8	0	0	0	112.1	A514 N515 P517 W555 Y556 Q557 T561 Q563 W573 L611 M615 F618	A514-F559 HydrophobicContact CB-CD1 4.46Å; A514-F559 HydrophobicContact CB-CE1 3.78Å; A514-F559 HydrophobicContact CB-CZ 4.38Å; N515-F559 WeakPolarHBondContact O-CZ 3.4Å; P517-F559 HydrophobicContact CB-CE2 3.91Å; P517-F559 HydrophobicContact CB-CZ 4.07Å; P517-F559 HydrophobicContact CG-CE2 4.46Å; P517-F559 HydrophobicContact CG-CZ 4.37Å; W555-F559 AromaticContact CD1-CE2 3.8Å; W555-F559 HydrophobicContact CD2-CE2 4.18Å; W555-F559 AromaticContact CE2-CE2 3.56Å; W555-F559 HydrophobicContact CG-CE2 4.35Å; W555-F559 AromaticContact CZ2-CE2 3.94Å; W555-F559 HydrophobicContact CZ2-CE2 3.94Å; W555-F559 HydrophobicContact CZ2-CZ 4.42Å; W555-F559 AromaticContact NE1-CE2 3.32Å; W555-F559 VanDerWaalsContact NE1-CE2 3.32Å; W555-F559 WeakPolarHBondContact O-CD2 3.46Å; W555-F559 PolarHBondContact O-N 2.86Å; W555-F559 VanDerWaalsContact O-N 3.12Å; Y556-F559 PolarHBondContact O-N 2.95Å; Y556-F559 VanDerWaalsContact O-N 3.16Å; Q557-F559 PolarHBondContact O-N 3.3Å; F559-T561 PolarHBondContact O-N 3.43Å; F559-Q563 HydrophobicContact CD1-CB 4.45Å; F559-Q563 HydrophobicContact CD1-CG 3.81Å; F559-Q563 HydrophobicContact CE1-CG 4.47Å; F559-Q563 WeakPolarHBondContact O-CA 3.43Å; F559-Q563 WeakPolarHBondContact O-CB 3.15Å; F559-Q563 PolarHBondContact O-N 2.8Å; F559-W573 HydrophobicContact CE1-CZ3 4.27Å; F559-L611 HydrophobicContact CD1-CD1 4.13Å; F559-L611 HydrophobicContact CE1-CD1 4.31Å; F559-M615 HydrophobicContact CB-CE 3.61Å; F559-M615 HydrophobicContact CB-SD 3.46Å; F559-M615 WeakPolarHBondContact CB-SD 3.18Å; F559-M615 HydrophobicContact CD1-SD 4.23Å; F559-M615 HydrophobicContact CG-SD 3.87Å; F559-F618 HydrophobicContact CD2-CE1 4.25Å
560	N	96.8	Very high	97.6	Very high	21 Å²	21	33.5 Å²	33.5	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-21.8	-175	-159.4	32.4	0	0	0	112.9	Y556 Q557 Y571 M615 W658	Y556-N560 HydrophobicContact CD1-CB 4.29Å; Y556-N560 HydrophobicContact CE1-CB 4.11Å; Y556-N560 WeakPolarHBondContact O-CB 3.42Å; Y556-N560 PolarHBondContact O-N 3.24Å; Q557-N560 PolarHBondContact O-N 3.15Å; N560-Y571 PolarHBondContact OD1-OH 3.06Å; N560-M615 HydrophobicContact CB-CE 4.25Å; N560-W658 WeakPolarHBondContact ND2-CZ2 3.34Å
561	T	96	Very high	97.7	Very high	88 Å²	88	31.7 Å²	31.7	54%	0.54	18%	0.183	S	C	.	.	H	α-helix	trans	-95.4	-44.8	176.7	52.2	0	0	0	0	112.4	Q557 W558 F559	Q557-T561 WeakPolarHBondContact O-CB 3.4Å; Q557-T561 VanDerWaalsContact O-CG2 3.27Å; Q557-T561 WeakPolarHBondContact O-CG2 3.45Å; Q557-T561 PolarHBondContact O-N 3.29Å; Q557-T561 PolarHBondContact O-OG1 3.19Å; W558-T561 PolarHBondContact O-N 2.92Å; W558-T561 PolarHBondContact O-OG1 3.39Å; W558-T561 VanDerWaalsContact O-OG1 3.1Å; F559-T561 PolarHBondContact O-N 3.43Å
562	T	96.4	Very high	97.7	Very high	46 Å²	46	33 Å²	33	28%	0.282	19%	0.188	S	C	.	.	H	α-helix	trans	-89.6	-27.2	-171.4	65.8	0	0	0	0	113.8	W558 R574	W558-T562 HydrophobicContact CD2-CG2 4.32Å; W558-T562 HydrophobicContact CG-CG2 4.32Å; W558-T562 HydrophobicContact CZ2-CG2 4.33Å; W558-T562 WeakPolarHBondContact CZ2-OG1 3.23Å; W558-T562 WeakPolarHBondContact O-CB 3.43Å; W558-T562 WeakPolarHBondContact O-CG2 3.42Å; W558-T562 PolarHBondContact O-N 2.9Å; W558-T562 PolarHBondContact O-OG1 2.73Å; T562-R574 PolarHBondContact O-NE 2.87Å; T562-R574 PolarHBondContact O-NH2 3.44Å
563	Q	97.9	Very high	97.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-109.5	11.4	-174.7	-45.2	-59.7	-58.1	0	0	113.3	E512 A514 W558 F559 Y571 R572 L611	E512-Q563 PolarHBondContact O-NE2 3.19Å; A514-Q563 HydrophobicContact CB-CG 4.02Å; W558-Q563 HydrophobicContact CZ3-CG 4.3Å; F559-Q563 HydrophobicContact CD1-CB 4.45Å; F559-Q563 HydrophobicContact CD1-CG 3.81Å; F559-Q563 HydrophobicContact CE1-CG 4.47Å; F559-Q563 WeakPolarHBondContact O-CA 3.43Å; F559-Q563 WeakPolarHBondContact O-CB 3.15Å; F559-Q563 PolarHBondContact O-N 2.8Å; Q563-Y571 CarbonylContact O-C 3.59Å; Q563-Y571 WeakPolarHBondContact O-CA 3.45Å; Q563-R572 PolarHBondContact O-N 2.74Å; Q563-L611 HydrophobicContact CB-CD2 3.83Å
564	I	97.4	Very high	97.6	Very high	79 Å²	79	33.2 Å²	33.2	41%	0.405	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-58.9	142.6	176.3	-163.2	164.7	0	0	0	111.2	R574	I564-R574 PolarHBondContact O-NH1 3.43Å; I564-R574 PolarHBondContact O-NH2 3.32Å
565	G	97.6	Very high	97.3	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	21%	0.206	C	C	.	.			trans	-86.3	178.7	176.3	0	0	0	0	0	112.5	V567 S570	G565-V567 VanDerWaalsContact C-N 3.25Å; G565-V567 PolarHBondContact O-N 3.3Å; G565-S570 WeakPolarHBondContact CA-O 3.4Å; G565-S570 WeakPolarHBondContact CA-OG 3.21Å; G565-S570 PolarHBondContact N-O 2.88Å
566	P	97.1	Very high	97.1	Very high	62 Å²	62	35.1 Å²	35.1	40%	0.403	21%	0.209	S	C	.	.	S	Bend	trans	-71.3	-16.4	-175.1	29.9	-38.1	0	0	0	114.1	E606 R607	P566-E606 WeakPolarHBondContact CD-O 3.38Å; P566-R607 HydrophobicContact CG-CG 4.22Å
567	V	97.5	Very high	96.8	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.315	23%	0.228	S	C	.	.	S	Bend	trans	-128.5	158	-179.3	-58.8	0	0	0	0	111.1	G565 S570 L671	G565-V567 VanDerWaalsContact C-N 3.25Å; G565-V567 PolarHBondContact O-N 3.3Å; V567-S570 VanDerWaalsContact CG2-OG 3.31Å; V567-S570 WeakPolarHBondContact CG2-OG 3.41Å; V567-S570 PolarHBondContact N-OG 3.23Å; V567-S570 WeakPolarHBondContact O-CB 3.26Å; V567-S570 PolarHBondContact O-N 2.67Å; V567-S570 PolarHBondContact O-OG 3.38Å; V567-L671 HydrophobicContact CG2-CD2 3.82Å
568	P	97	Very high	96.6	Very high	107 Å²	107	39.7 Å²	39.7	70%	0.695	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	142	178.7	-27.7	35.8	0	0	0	113	S570	P568-S570 PolarHBondContact O-N 3.42Å; P568-S570 VanDerWaalsContact O-N 3.08Å
569	L	96.7	Very high	96.4	Very high	35 Å²	35	45.4 Å²	45.4	18%	0.183	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	12	178.8	-49.5	177	0	0	0	115.4	R612 W658 L661 L662 E667	L569-R612 WeakPolarHBondContact O-CD 3.18Å; L569-R612 PolarHBondContact O-NE 3.24Å; L569-W658 HydrophobicContact CD2-CZ3 4.07Å; L569-L661 HydrophobicContact CD2-CB 4.14Å; L569-L662 HydrophobicContact CB-CD2 4.22Å; L569-L662 HydrophobicContact CD2-CD2 4.05Å; L569-E667 HydrophobicContact CD1-CB 4.4Å; L569-E667 HydrophobicContact CD1-CG 4.25Å
570	S	98.2	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.281	C	S	.	.			trans	-103.2	155	171.2	75.3	0	0	0	0	111.1	G565 V567 P568	G565-S570 WeakPolarHBondContact CA-O 3.4Å; G565-S570 WeakPolarHBondContact CA-OG 3.21Å; G565-S570 PolarHBondContact N-O 2.88Å; V567-S570 VanDerWaalsContact CG2-OG 3.31Å; V567-S570 WeakPolarHBondContact CG2-OG 3.41Å; V567-S570 PolarHBondContact N-OG 3.23Å; V567-S570 WeakPolarHBondContact O-CB 3.26Å; V567-S570 PolarHBondContact O-N 2.67Å; V567-S570 PolarHBondContact O-OG 3.38Å; P568-S570 PolarHBondContact O-N 3.42Å; P568-S570 VanDerWaalsContact O-N 3.08Å
571	Y	98.6	Very high	95.8	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.012	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-134.1	156.9	178	-64.3	-91.8	0	0	0	110.5	N560 Q563 H608 L611 R612 M615 L662	N560-Y571 PolarHBondContact OD1-OH 3.06Å; Q563-Y571 CarbonylContact O-C 3.59Å; Q563-Y571 WeakPolarHBondContact O-CA 3.45Å; Y571-H608 PolarHBondContact O-N 3.36Å; Y571-L611 HydrophobicContact CG-CG 4.22Å; Y571-R612 HydrophobicContact CD2-CB 3.98Å; Y571-R612 HydrophobicContact CD2-CG 4.11Å; Y571-R612 HydrophobicContact CE2-CG 4.43Å; Y571-M615 HydrophobicContact CD1-CG 3.97Å; Y571-M615 HydrophobicContact CD2-CB 4.4Å; Y571-M615 HydrophobicContact CD2-CG 4.32Å; Y571-M615 HydrophobicContact CE1-CB 4.24Å; Y571-M615 HydrophobicContact CE1-CE 4.06Å; Y571-M615 HydrophobicContact CE1-CG 3.68Å; Y571-M615 HydrophobicContact CE2-CB 3.82Å; Y571-M615 HydrophobicContact CE2-CG 4.04Å; Y571-M615 HydrophobicContact CG-CG 4.27Å; Y571-L662 HydrophobicContact CE2-CD1 4.37Å; Y571-L662 HydrophobicContact CE2-CD2 3.75Å
572	R	98.4	Very high	95.6	Very high	30 Å²	30	49.2 Å²	49.2	11%	0.113	28%	0.283	C	S	.	.			trans	-146.3	117.8	179.3	177.4	-178	68.5	93.4	-8.4	110.8	Q563 R574 D604 E606	Q563-R572 PolarHBondContact O-N 2.74Å; R572-R574 VanDerWaalsContact NH2-CZ 3.32Å; R572-R574 PolarHBondContact O-N 3.14Å; R572-R574 PolarHBondContact O-NH1 3.11Å; R572-D604 IonicContact CZ-OD1 3.63Å; R572-D604 VanDerWaalsContact CZ-OD1 3.23Å; R572-D604 IonicContact NH1-OD1 2.97Å; R572-D604 PolarHBondContact NH1-OD1 3.4Å; R572-D604 IonicContact NH2-OD1 3.76Å; R572-D604 PolarHBondContact NH2-OD1 2.95Å; R572-E606 WeakPolarHBondContact CB-O 3.47Å; R572-E606 WeakPolarHBondContact CD-O 3.35Å; R572-E606 HydrophobicContact CG-CB 4.01Å
573	W	98.2	Very high	95.6	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	28%	0.276	C	S	.	.			trans	-47.1	126.1	162.6	-67.7	122.5	0	0	0	113.8	A514 P516 F559 T588 S590 S591 H608 D610 L611	A514-W573 HydrophobicContact CB-CE3 4.05Å; A514-W573 HydrophobicContact CB-CZ3 3.66Å; P516-W573 HydrophobicContact CG-CH2 4.19Å; P516-W573 HydrophobicContact CG-CZ2 4.31Å; F559-W573 HydrophobicContact CE1-CZ3 4.27Å; W573-T588 HydrophobicContact CB-CG2 3.81Å; W573-T588 HydrophobicContact CG-CG2 4.06Å; W573-S590 WeakPolarHBondContact CB-OG 3.22Å; W573-S591 VanDerWaalsContact NE1-CB 3.27Å; W573-H608 WeakPolarHBondContact CB-ND1 3.4Å; W573-H608 AromaticContact CD1-CG 3.75Å; W573-H608 AromaticContact CD1-ND1 3.62Å; W573-H608 AromaticContact CG-ND1 3.89Å; W573-H608 PolarHBondContact N-ND1 3.44Å; W573-D610 PolarHBondContact NE1-OD1 3.39Å; W573-D610 PolarHBondContact NE1-OD2 3.15Å; W573-L611 HydrophobicContact CD2-CB 4.23Å; W573-L611 HydrophobicContact CD2-CD2 3.89Å; W573-L611 HydrophobicContact CD2-CG 4.44Å; W573-L611 HydrophobicContact CE3-CD1 4.37Å; W573-L611 HydrophobicContact CE3-CD2 4Å; W573-L611 HydrophobicContact CG-CD2 4.29Å; W573-L611 HydrophobicContact CH2-CD1 3.61Å; W573-L611 HydrophobicContact CH2-CG 4.44Å; W573-L611 HydrophobicContact CZ2-CB 3.82Å; W573-L611 HydrophobicContact CZ2-CD1 3.79Å; W573-L611 HydrophobicContact CZ2-CG 4.22Å; W573-L611 HydrophobicContact CZ3-CD1 3.91Å; W573-L611 HydrophobicContact CZ3-CD2 4.36Å
574	R	96.2	Very high	95.5	Very high	51 Å²	51	49.3 Å²	49.3	19%	0.192	28%	0.281	C	S	.	.	S	Bend	trans	-86.8	159.1	169.1	-56.4	-55.9	-171.6	-105.7	4.3	111.4	E512 T562 I564 R572 S590	E512-R574 WeakPolarHBondContact O-CB 3.4Å; T562-R574 PolarHBondContact O-NE 2.87Å; T562-R574 PolarHBondContact O-NH2 3.44Å; I564-R574 PolarHBondContact O-NH1 3.43Å; I564-R574 PolarHBondContact O-NH2 3.32Å; R572-R574 VanDerWaalsContact NH2-CZ 3.32Å; R572-R574 PolarHBondContact O-N 3.14Å; R572-R574 PolarHBondContact O-NH1 3.11Å; R574-S590 WeakPolarHBondContact O-CB 2.88Å; R574-S590 PolarHBondContact O-OG 3.43Å
575	G	92.7	Very high	95.4	Very high	60 Å²	60	45.6 Å²	45.6	62%	0.619	26%	0.262	S	S	*	.			trans	100.9	-0.1	175.8	0	0	0	0	0	115.9
576	R	94.8	Very high	95.3	Very high	20 Å²	20	45.1 Å²	45.1	8%	0.075	26%	0.257	C	S	.	.			trans	-72	130.8	168	-59.2	-166.8	73.4	-154.9	3.1	109.7	P578 N585 P586 T588 A599 P602 E606	R576-P578 VanDerWaalsContact O-CD 3.31Å; R576-P578 WeakPolarHBondContact O-CD 3.42Å; R576-N585 PolarHBondContact NH2-OD1 2.83Å; R576-P586 PolarHBondContact NE-O 3.26Å; R576-P586 PolarHBondContact NH2-O 3.1Å; R576-T588 VanDerWaalsContact CD-OG1 3.29Å; R576-T588 WeakPolarHBondContact CD-OG1 3.45Å; R576-T588 HydrophobicContact CG-CG2 3.99Å; R576-T588 PolarHBondContact NE-OG1 3.17Å; R576-T588 VanDerWaalsContact NE-OG1 3.13Å; R576-A599 PolarHBondContact NH1-O 3.18Å; R576-A599 PolarHBondContact NH2-O 3.16Å; R576-P602 HydrophobicContact CB-CB 4Å; R576-P602 HydrophobicContact CB-CG 4.24Å; R576-E606 IonicContact CZ-OE1 2.85Å; R576-E606 IonicContact NH1-OE1 3.38Å; R576-E606 PolarHBondContact NH1-OE1 3.11Å; R576-E606 IonicContact NH1-OE2 2.96Å
577	N	92.2	Very high	95.3	Very high	74 Å²	74	44.1 Å²	44.1	40%	0.396	25%	0.248	S	C	.	.			trans	-90.6	110.7	-179.9	-177.8	5.9	0	0	0	111	N579 E580	N577-N579 PolarHBondContact O-N 2.71Å; N577-N579 WeakPolarHBondContact OD1-CB 3.44Å; N577-N579 PolarHBondContact OD1-N 2.97Å; N577-E580 HydrophobicContact CB-CB 3.99Å; N577-E580 PolarHBondContact O-N 3.33Å
578	P	92.9	Very high	95.3	Very high	75 Å²	75	41.7 Å²	41.7	49%	0.487	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.4	177.5	28.9	-35.2	0	0	0	113	R576 E580 P602	R576-P578 VanDerWaalsContact O-CD 3.31Å; R576-P578 WeakPolarHBondContact O-CD 3.42Å; P578-E580 VanDerWaalsContact C-N 3.33Å; P578-P602 HydrophobicContact CB-CB 4.32Å
579	N	93	Very high	95.1	Very high	135 Å²	135	40.1 Å²	40.1	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.4	-179.5	-59.1	-39.8	0	0	0	112.9	N577 I581	N577-N579 PolarHBondContact O-N 2.71Å; N577-N579 WeakPolarHBondContact OD1-CB 3.44Å; N577-N579 PolarHBondContact OD1-N 2.97Å; N579-I581 PolarHBondContact O-N 3.42Å
580	E	90.8	Very high	95.1	Very high	45 Å²	45	38.6 Å²	38.6	21%	0.21	21%	0.211	C	C	.	.			trans	-74.5	110	176.1	-176.8	51.1	-106.5	0	0	109.7	N577 P578 H582 Q583 R711	N577-E580 HydrophobicContact CB-CB 3.99Å; N577-E580 PolarHBondContact O-N 3.33Å; P578-E580 VanDerWaalsContact C-N 3.33Å; E580-H582 WeakPolarHBondContact OE1-CA 3.36Å; E580-H582 WeakPolarHBondContact OE1-CB 3.22Å; E580-H582 IonicContact OE1-CD2 3.23Å; E580-H582 IonicContact OE1-CG 3Å; E580-H582 PolarHBondContact OE1-N 3.07Å; E580-Q583 HydrophobicContact CG-CB 3.94Å; E580-Q583 VanDerWaalsContact CG-CD 3.45Å; E580-Q583 HydrophobicContact CG-CG 3.62Å; E580-R711 PolarHBondContact O-NH2 2.62Å; E580-R711 VanDerWaalsContact O-NH2 3.1Å
581	I	91.6	Very high	95.1	Very high	79 Å²	79	38.6 Å²	38.6	41%	0.405	21%	0.211	S	C	.	.			trans	-107.7	-8.2	-176.7	66.2	175.4	0	0	0	112.6	N579 V710 R711	N579-I581 PolarHBondContact O-N 3.42Å; I581-V710 HydrophobicContact CB-CG1 3.97Å; I581-V710 HydrophobicContact CD1-CG1 3.84Å; I581-V710 HydrophobicContact CD1-CG2 4.4Å; I581-V710 HydrophobicContact CG1-CG1 4.04Å; I581-V710 CarbonylContact O-C 3.56Å; I581-V710 WeakPolarHBondContact O-CA 3.42Å; I581-R711 VanDerWaalsContact O-CB 3.3Å; I581-R711 WeakPolarHBondContact O-CB 3.44Å; I581-R711 PolarHBondContact O-N 3.07Å
582	H	93.5	Very high	95	Very high	66 Å²	66	38.6 Å²	38.6	31%	0.306	21%	0.212	S	C	.	.	S	Bend	trans	-91.7	-10.5	-178.8	-59.1	-62.9	0	0	0	113.2	E580 L692 L709 T780	E580-H582 WeakPolarHBondContact OE1-CA 3.36Å; E580-H582 WeakPolarHBondContact OE1-CB 3.22Å; E580-H582 IonicContact OE1-CD2 3.23Å; E580-H582 IonicContact OE1-CG 3Å; E580-H582 PolarHBondContact OE1-N 3.07Å; H582-L692 WeakPolarHBondContact O-CD2 3.18Å; H582-L709 PolarHBondContact ND1-O 3.08Å; H582-T780 WeakPolarHBondContact O-CG2 3.47Å
583	Q	94.9	Very high	94.9	Very high	29 Å²	29	37.2 Å²	37.2	14%	0.136	21%	0.207	C	C	.	.	S	Bend	trans	-95	136.3	177	-65.7	177.1	-0.3	0	0	111.2	E580 N585 P586 R711 N779 T780	E580-Q583 HydrophobicContact CG-CB 3.94Å; E580-Q583 VanDerWaalsContact CG-CD 3.45Å; E580-Q583 HydrophobicContact CG-CG 3.62Å; Q583-N585 VanDerWaalsContact C-N 3.32Å; Q583-N585 PolarHBondContact O-N 3.1Å; Q583-P586 VanDerWaalsContact OE1-CA 3.31Å; Q583-R711 VanDerWaalsContact O-CD 3.25Å; Q583-R711 WeakPolarHBondContact O-CD 3.32Å; Q583-N779 CarbonylContact C-O 3.57Å; Q583-N779 WeakPolarHBondContact CA-O 3.5Å; Q583-T780 HydrophobicContact CB-CG2 4.48Å; Q583-T780 HydrophobicContact CG-CG2 3.81Å
584	L	95.3	Very high	94.8	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.11	22%	0.216	C	C	.	.	S	Bend	trans	-59.6	-43.7	174.7	-177.3	68	0	0	0	111.3	V690 L692 R711 F774 N779	L584-V690 HydrophobicContact CD1-CB 4.46Å; L584-V690 HydrophobicContact CD1-CG2 3.99Å; L584-V690 HydrophobicContact CG-CG2 4.41Å; L584-L692 HydrophobicContact CB-CD1 4.23Å; L584-L692 HydrophobicContact CB-CG 4.17Å; L584-L692 HydrophobicContact CD1-CG 4.26Å; L584-R711 WeakPolarHBondContact O-CD 3.06Å; L584-F774 HydrophobicContact CD2-CD1 4.05Å; L584-F774 HydrophobicContact CD2-CE1 3.89Å; L584-F774 HydrophobicContact CG-CE1 4.03Å; L584-N779 PolarHBondContact N-O 3.11Å; L584-N779 PolarHBondContact N-OD1 3.22Å
585	N	96.4	Very high	94.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.209	C	C	.	.	S	Bend	trans	-134.3	130.6	170.2	-166.6	-90.9	0	0	0	108.9	R576 Q583 L587 R598 F774 N779	R576-N585 PolarHBondContact NH2-OD1 2.83Å; Q583-N585 VanDerWaalsContact C-N 3.32Å; Q583-N585 PolarHBondContact O-N 3.1Å; N585-L587 PolarHBondContact O-N 3.15Å; N585-R598 PolarHBondContact ND2-O 2.79Å; N585-R598 PolarHBondContact OD1-N 3.28Å; N585-R598 VanDerWaalsContact OD1-N 3.13Å; N585-F774 HydrophobicContact CB-CE1 3.97Å; N585-F774 HydrophobicContact CB-CZ 4.45Å; N585-N779 PolarHBondContact N-OD1 3.33Å; N585-N779 PolarHBondContact O-ND2 2.98Å; N585-N779 PolarHBondContact O-OD1 3.28Å
586	P	96.2	Very high	95.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.18	C	C	.	.			trans	-69.3	134.4	-173.2	-23.4	40.2	0	0	0	110.3	R576 Q583 P602	R576-P586 PolarHBondContact NE-O 3.26Å; R576-P586 PolarHBondContact NH2-O 3.1Å; Q583-P586 VanDerWaalsContact OE1-CA 3.31Å; P586-P602 HydrophobicContact CB-CG 3.74Å; P586-P602 HydrophobicContact CG-CG 3.66Å
587	L	96.1	Very high	95.2	Very high	41 Å²	41	33.3 Å²	33.3	22%	0.215	18%	0.177	C	C	.	.			trans	-61.9	155.2	-175.3	-60.6	176.2	0	0	0	112.5	N585 L589 D594 D595 N779	N585-L587 PolarHBondContact O-N 3.15Å; L587-L589 HydrophobicContact CB-CD2 4.17Å; L587-L589 HydrophobicContact CB-CG 4.31Å; L587-L589 HydrophobicContact CD1-CD2 4.04Å; L587-D594 CarbonylContact C-O 3.56Å; L587-D594 VanDerWaalsContact CA-O 3.29Å; L587-D594 WeakPolarHBondContact CA-O 2.95Å; L587-D594 WeakPolarHBondContact CB-O 3.3Å; L587-D594 WeakPolarHBondContact CD2-O 3.45Å; L587-D595 HydrophobicContact CD2-CB 3.61Å; L587-N779 VanDerWaalsContact CD2-ND2 3.31Å; L587-N779 WeakPolarHBondContact CD2-ND2 3.37Å
588	T	96.7	Very high	95.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.158	C	C	.	.			trans	-124.2	62.9	171.6	-44	0	0	0	0	110.1	W573 R576 S590 S591 D594 R598	W573-T588 HydrophobicContact CB-CG2 3.81Å; W573-T588 HydrophobicContact CG-CG2 4.06Å; R576-T588 VanDerWaalsContact CD-OG1 3.29Å; R576-T588 WeakPolarHBondContact CD-OG1 3.45Å; R576-T588 HydrophobicContact CG-CG2 3.99Å; R576-T588 PolarHBondContact NE-OG1 3.17Å; R576-T588 VanDerWaalsContact NE-OG1 3.13Å; T588-S590 PolarHBondContact O-N 3.06Å; T588-S591 PolarHBondContact O-N 3.21Å; T588-S591 PolarHBondContact O-OG 3.32Å; T588-S591 VanDerWaalsContact O-OG 3.11Å; T588-D594 PolarHBondContact N-O 2.8Å; T588-R598 WeakPolarHBondContact OG1-CD 3.25Å; T588-R598 PolarHBondContact OG1-NE 3.27Å
589	L	94.4	Very high	95.7	Very high	75 Å²	75	26.3 Å²	26.3	39%	0.393	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-54.4	-31.1	-177	-57.7	-179	0	0	0	113.4	L587 S591 G592 D594	L587-L589 HydrophobicContact CB-CD2 4.17Å; L587-L589 HydrophobicContact CB-CG 4.31Å; L587-L589 HydrophobicContact CD1-CD2 4.04Å; L589-S591 PolarHBondContact O-N 3.21Å; L589-G592 PolarHBondContact O-N 2.71Å; L589-D594 HydrophobicContact CD2-CB 3.74Å; L589-D594 WeakPolarHBondContact CD2-OD2 3.35Å
590	S	95.8	Very high	95.9	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.021	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.4	176.7	56.4	0	0	0	0	112.9	A514 N515 P516 W573 R574 T588 G592	A514-S590 WeakPolarHBondContact O-CA 3.35Å; N515-S590 VanDerWaalsContact CA-O 3.26Å; N515-S590 WeakPolarHBondContact CA-O 3.34Å; N515-S590 PolarHBondContact ND2-O 3.49Å; P516-S590 WeakPolarHBondContact CD-O 3.14Å; W573-S590 WeakPolarHBondContact CB-OG 3.22Å; R574-S590 WeakPolarHBondContact O-CB 2.88Å; R574-S590 PolarHBondContact O-OG 3.43Å; T588-S590 PolarHBondContact O-N 3.06Å; S590-G592 VanDerWaalsContact C-N 3.34Å
591	S	97.8	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-83.9	-10.1	-179	76.9	0	0	0	0	113.9	P516 W573 T588 L589 L593 R598	P516-S591 WeakPolarHBondContact CG-O 3.41Å; W573-S591 VanDerWaalsContact NE1-CB 3.27Å; T588-S591 PolarHBondContact O-N 3.21Å; T588-S591 PolarHBondContact O-OG 3.32Å; T588-S591 VanDerWaalsContact O-OG 3.11Å; L589-S591 PolarHBondContact O-N 3.21Å; S591-L593 VanDerWaalsContact O-CD1 3.31Å; S591-L593 WeakPolarHBondContact O-CD1 3.39Å; S591-L593 PolarHBondContact O-N 3.41Å; S591-L593 PolarHBondContact OG-N 2.67Å; S591-R598 PolarHBondContact OG-NH2 3.23Å
592	G	96.6	Very high	96.5	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.031	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	0.8	-169.8	0	0	0	0	0	114.4	W454 L589 S590 W787	W454-G592 WeakPolarHBondContact CZ2-O 3.1Å; L589-G592 PolarHBondContact O-N 2.71Å; S590-G592 VanDerWaalsContact C-N 3.34Å; G592-W787 VanDerWaalsContact O-CZ2 3.32Å; G592-W787 WeakPolarHBondContact O-CZ2 3.49Å; G592-W787 PolarHBondContact O-NE1 3.25Å
593	L	97.9	Very high	96.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.082	C	C	.	.			trans	-117.4	63.7	176.4	-68.6	86.7	0	0	0	108.9	S591 D595 F596 Y728 V729 W787	S591-L593 VanDerWaalsContact O-CD1 3.31Å; S591-L593 WeakPolarHBondContact O-CD1 3.39Å; S591-L593 PolarHBondContact O-N 3.41Å; S591-L593 PolarHBondContact OG-N 2.67Å; L593-D595 PolarHBondContact O-N 3.16Å; L593-F596 HydrophobicContact CB-CB 3.93Å; L593-F596 HydrophobicContact CD2-CD2 4.46Å; L593-F596 WeakPolarHBondContact O-CB 3.26Å; L593-F596 PolarHBondContact O-N 3.25Å; L593-F596 VanDerWaalsContact O-N 3.09Å; L593-Y728 HydrophobicContact CD2-CD2 4.46Å; L593-V729 HydrophobicContact CD2-CG2 4.08Å; L593-W787 HydrophobicContact CB-CD2 4.19Å; L593-W787 HydrophobicContact CB-CG 4.21Å; L593-W787 HydrophobicContact CD2-CD2 4.49Å; L593-W787 HydrophobicContact CD2-CE3 4.07Å; L593-W787 HydrophobicContact CD2-CZ3 4.42Å; L593-W787 HydrophobicContact CG-CD2 4.08Å; L593-W787 HydrophobicContact CG-CE3 4.04Å; L593-W787 HydrophobicContact CG-CZ3 4.3Å
594	D	95.2	Very high	96.7	Very high	36 Å²	36	19.4 Å²	19.4	19%	0.193	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-56.6	-160	-67.4	3.7	0	0	0	115.5	L587 T588 L589	L587-D594 CarbonylContact C-O 3.56Å; L587-D594 VanDerWaalsContact CA-O 3.29Å; L587-D594 WeakPolarHBondContact CA-O 2.95Å; L587-D594 WeakPolarHBondContact CB-O 3.3Å; L587-D594 WeakPolarHBondContact CD2-O 3.45Å; T588-D594 PolarHBondContact N-O 2.8Å; L589-D594 HydrophobicContact CD2-CB 3.74Å; L589-D594 WeakPolarHBondContact CD2-OD2 3.35Å
595	D	97.1	Very high	96.9	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.6	-175.7	73.8	-30.4	0	0	0	113.4	L587 L593 Y786 W787 R788	L587-D595 HydrophobicContact CD2-CB 3.61Å; L593-D595 PolarHBondContact O-N 3.16Å; D595-Y786 WeakPolarHBondContact OD1-CB 3.39Å; D595-Y786 PolarHBondContact OD2-N 2.9Å; D595-W787 WeakPolarHBondContact OD1-CA 3.18Å; D595-W787 WeakPolarHBondContact OD1-CB 3.47Å; D595-W787 PolarHBondContact OD1-N 3.05Å; D595-R788 PolarHBondContact O-NE 3Å; D595-R788 PolarHBondContact O-NH2 3.01Å; D595-R788 WeakPolarHBondContact OD2-CD 3Å; D595-R788 WeakPolarHBondContact OD2-CG 3.47Å; D595-R788 IonicContact OD2-NE 2.82Å
596	F	98.2	Very high	97	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.018	12%	0.119	C	C	.	.			trans	-59.2	124.3	172.6	-171.3	-78.7	0	0	0	108.5	L593 R598 V729 S767 W787	L593-F596 HydrophobicContact CB-CB 3.93Å; L593-F596 HydrophobicContact CD2-CD2 4.46Å; L593-F596 WeakPolarHBondContact O-CB 3.26Å; L593-F596 PolarHBondContact O-N 3.25Å; L593-F596 VanDerWaalsContact O-N 3.09Å; F596-R598 PolarHBondContact O-N 3.33Å; F596-V729 HydrophobicContact CB-CG2 4.47Å; F596-V729 HydrophobicContact CD1-CB 3.93Å; F596-V729 HydrophobicContact CD1-CG2 3.34Å; F596-V729 HydrophobicContact CD2-CG2 4.09Å; F596-V729 HydrophobicContact CE1-CB 3.48Å; F596-V729 VanDerWaalsContact CE1-CB 3.48Å; F596-V729 HydrophobicContact CE1-CG1 4.35Å; F596-V729 HydrophobicContact CE1-CG2 3.46Å; F596-V729 VanDerWaalsContact CE1-CG2 3.46Å; F596-V729 HydrophobicContact CE2-CB 4.37Å; F596-V729 HydrophobicContact CE2-CG2 4.17Å; F596-V729 HydrophobicContact CG-CG2 3.69Å; F596-V729 HydrophobicContact CZ-CB 3.73Å; F596-V729 HydrophobicContact CZ-CG2 3.88Å; F596-S767 WeakPolarHBondContact CE2-O 3.27Å; F596-W787 HydrophobicContact CB-CB 4.16Å
597	P	97.2	Very high	97.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.013	13%	0.125	C	C	.	.			trans	-65.8	125.8	-171.3	27	-36	0	0	0	111.4	I768 F774	P597-I768 HydrophobicContact CG-CD1 3.46Å; P597-I768 VanDerWaalsContact CG-CD1 3.46Å; P597-F774 HydrophobicContact CB-CB 4.21Å; P597-F774 HydrophobicContact CB-CD1 4.11Å; P597-F774 HydrophobicContact CB-CD2 3.51Å; P597-F774 HydrophobicContact CB-CE1 4.39Å; P597-F774 HydrophobicContact CB-CE2 3.84Å; P597-F774 HydrophobicContact CB-CG 3.66Å; P597-F774 HydrophobicContact CB-CZ 4.27Å; P597-F774 HydrophobicContact CG-CB 3.93Å; P597-F774 HydrophobicContact CG-CD2 3.84Å; P597-F774 HydrophobicContact CG-CG 3.92Å
598	R	97.9	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.			trans	-116.2	-161	171.8	-58.4	-162.4	-172.6	-114.1	6.5	110.5	N585 T588 S591 F596 S600 H608 D610 D682	N585-R598 PolarHBondContact ND2-O 2.79Å; N585-R598 PolarHBondContact OD1-N 3.28Å; N585-R598 VanDerWaalsContact OD1-N 3.13Å; T588-R598 WeakPolarHBondContact OG1-CD 3.25Å; T588-R598 PolarHBondContact OG1-NE 3.27Å; S591-R598 PolarHBondContact OG-NH2 3.23Å; F596-R598 PolarHBondContact O-N 3.33Å; R598-S600 PolarHBondContact O-N 3.02Å; R598-H608 WeakPolarHBondContact CD-NE2 2.99Å; R598-H608 PolarHBondContact NH1-CD2 3.37Å; R598-D610 IonicContact CZ-OD1 3.8Å; R598-D610 IonicContact CZ-OD2 3.62Å; R598-D610 IonicContact NH1-OD1 2.58Å; R598-D610 PolarHBondContact NH1-OD1 2.86Å; R598-D610 IonicContact NH1-OD2 3.72Å; R598-D610 IonicContact NH2-OD1 3.25Å; R598-D610 PolarHBondContact NH2-OD1 2.71Å; R598-D610 IonicContact NH2-OD2 3.95Å; R598-D610 PolarHBondContact NH2-OD2 2.93Å; R598-D682 WeakPolarHBondContact CD-OD2 3.43Å; R598-D682 IonicContact CZ-OD2 3.95Å; R598-D682 IonicContact NE-OD2 3.83Å; R598-D682 IonicContact NH1-OD1 3.29Å; R598-D682 IonicContact NH1-OD2 3.67Å; R598-D682 PolarHBondContact NH1-OD2 2.75Å
599	A	97.8	Very high	97.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	11%	0.114	C	C	.	.			trans	-51.2	132.9	174	0	0	0	0	0	109.7	R576 H601 E606 H686 V722	R576-A599 PolarHBondContact NH1-O 3.18Å; R576-A599 PolarHBondContact NH2-O 3.16Å; A599-H601 VanDerWaalsContact C-N 3.27Å; A599-H601 PolarHBondContact O-N 3.18Å; A599-E606 HydrophobicContact CB-CG 4.2Å; A599-H686 HydrophobicContact CB-CB 4.39Å; A599-V722 HydrophobicContact CB-CG2 4.18Å
600	S	96.6	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-72.6	-26.2	-171.8	53.7	0	0	0	0	111.4	R598 L685 H686 T687 R711	R598-S600 PolarHBondContact O-N 3.02Å; S600-L685 PolarHBondContact N-O 2.84Å; S600-H686 PolarHBondContact N-ND1 2.84Å; S600-H686 VanDerWaalsContact N-ND1 3.18Å; S600-T687 PolarHBondContact OG-N 3.32Å; S600-T687 PolarHBondContact OG-O 2.93Å; S600-T687 VanDerWaalsContact OG-O 3.11Å; S600-R711 PolarHBondContact O-NH1 3.08Å
601	H	97.1	Very high	97.6	Very high	48 Å²	48	17.9 Å²	17.9	22%	0.222	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-117.4	100	176.6	-60	70.9	0	0	0	108	A599 T603 L685	A599-H601 VanDerWaalsContact C-N 3.27Å; A599-H601 PolarHBondContact O-N 3.18Å; H601-T603 PolarHBondContact O-N 3.47Å; H601-L685 HydrophobicContact CB-CB 4.26Å; H601-L685 HydrophobicContact CB-CD2 3.87Å; H601-L685 HydrophobicContact CB-CG 3.97Å; H601-L685 PolarHBondContact N-O 3.48Å
602	P	97.5	Very high	97.7	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.071	9%	0.094	C	C	.	.			trans	-58.5	135.1	180	-22.9	32.2	0	0	0	111	R576 P578 P586 E606	R576-P602 HydrophobicContact CB-CB 4Å; R576-P602 HydrophobicContact CB-CG 4.24Å; P578-P602 HydrophobicContact CB-CB 4.32Å; P586-P602 HydrophobicContact CB-CG 3.74Å; P586-P602 HydrophobicContact CG-CG 3.66Å; P602-E606 VanDerWaalsContact CA-OE2 3.28Å; P602-E606 WeakPolarHBondContact CA-OE2 3.4Å
603	T	97.2	Very high	97.8	Very high	36 Å²	36	17.8 Å²	17.8	22%	0.221	9%	0.093	C	C	.	.			trans	-150.7	168.2	-179	53.1	0	0	0	0	109.7	H601 D605 E606 L685	H601-T603 PolarHBondContact O-N 3.47Å; T603-D605 PolarHBondContact O-N 3.23Å; T603-E606 PolarHBondContact N-OE2 3.42Å; T603-E606 VanDerWaalsContact N-OE2 3.15Å; T603-E606 WeakPolarHBondContact O-CG 3.18Å; T603-E606 PolarHBondContact O-N 3.46Å; T603-L685 HydrophobicContact CG2-CB 4.04Å; T603-L685 HydrophobicContact CG2-CD2 3.85Å
604	D	96.7	Very high	97.8	Very high	115 Å²	115	17.8 Å²	17.8	62%	0.615	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.2	175.3	-69.8	-33.5	0	0	0	113.3	R572 E606	R572-D604 IonicContact CZ-OD1 3.63Å; R572-D604 VanDerWaalsContact CZ-OD1 3.23Å; R572-D604 IonicContact NH1-OD1 2.97Å; R572-D604 PolarHBondContact NH1-OD1 3.4Å; R572-D604 IonicContact NH2-OD1 3.76Å; R572-D604 PolarHBondContact NH2-OD1 2.95Å; D604-E606 VanDerWaalsContact C-N 3.26Å; D604-E606 PolarHBondContact O-N 3.02Å
605	D	97.9	Very high	98	Very high	77 Å²	77	16 Å²	16	41%	0.412	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.7	177.6	-66.4	-50.4	0	0	0	114.2	T603 L719	T603-D605 PolarHBondContact O-N 3.23Å; D605-L719 HydrophobicContact CB-CD2 3.75Å
606	E	98.6	Very high	98.1	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.009	8%	0.082	C	C	.	.			trans	-66.4	146.1	-176.3	-63.6	179.6	86.4	0	0	113	P566 R572 R576 A599 P602 T603 D604 H608 Y683	P566-E606 WeakPolarHBondContact CD-O 3.38Å; R572-E606 WeakPolarHBondContact CB-O 3.47Å; R572-E606 WeakPolarHBondContact CD-O 3.35Å; R572-E606 HydrophobicContact CG-CB 4.01Å; R576-E606 IonicContact CZ-OE1 2.85Å; R576-E606 IonicContact NH1-OE1 3.38Å; R576-E606 PolarHBondContact NH1-OE1 3.11Å; R576-E606 IonicContact NH1-OE2 2.96Å; A599-E606 HydrophobicContact CB-CG 4.2Å; P602-E606 VanDerWaalsContact CA-OE2 3.28Å; P602-E606 WeakPolarHBondContact CA-OE2 3.4Å; T603-E606 PolarHBondContact N-OE2 3.42Å; T603-E606 VanDerWaalsContact N-OE2 3.15Å; T603-E606 WeakPolarHBondContact O-CG 3.18Å; T603-E606 PolarHBondContact O-N 3.46Å; D604-E606 VanDerWaalsContact C-N 3.26Å; D604-E606 PolarHBondContact O-N 3.02Å; E606-H608 IonicContact OE1-CE1 2.78Å; E606-H608 IonicContact OE1-NE2 2.77Å; E606-H608 PolarHBondContact OE1-NE2 3.21Å; E606-Y683 CarbonylContact C-O 3.5Å; E606-Y683 WeakPolarHBondContact CA-O 3.22Å
607	R	98.7	Very high	98.1	Very high	32 Å²	32	15.7 Å²	15.7	12%	0.121	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-130.5	119.6	172.7	-52.4	-173.2	-66.3	-99.9	5.9	109.2	P566 L671 D682 Y683	P566-R607 HydrophobicContact CG-CG 4.22Å; R607-L671 PolarHBondContact NH2-O 2.9Å; R607-D682 WeakPolarHBondContact O-CA 3.2Å; R607-Y683 HydrophobicContact CG-CD1 4.5Å; R607-Y683 PolarHBondContact N-O 3.05Å; R607-Y683 PolarHBondContact O-N 3.48Å
608	H	98.8	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.			trans	-105.8	112.5	-173.3	-64.9	139.9	0	0	0	111	Y571 W573 R598 E606 L611 R612 D682	Y571-H608 PolarHBondContact O-N 3.36Å; W573-H608 WeakPolarHBondContact CB-ND1 3.4Å; W573-H608 AromaticContact CD1-CG 3.75Å; W573-H608 AromaticContact CD1-ND1 3.62Å; W573-H608 AromaticContact CG-ND1 3.89Å; W573-H608 PolarHBondContact N-ND1 3.44Å; R598-H608 WeakPolarHBondContact CD-NE2 2.99Å; R598-H608 PolarHBondContact NH1-CD2 3.37Å; E606-H608 IonicContact OE1-CE1 2.78Å; E606-H608 IonicContact OE1-NE2 2.77Å; E606-H608 PolarHBondContact OE1-NE2 3.21Å; H608-L611 HydrophobicContact CB-CB 4.38Å; H608-L611 PolarHBondContact O-N 3.38Å; H608-R612 PolarHBondContact O-N 3.09Å; H608-D682 WeakPolarHBondContact CA-OD1 3.1Å; H608-D682 IonicContact CD2-OD2 2.86Å; H608-D682 PolarHBondContact CD2-OD2 2.8Å
609	I	98.5	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.6	-37.8	-171.2	-167.6	177.2	0	0	0	112.7	L611 R612 C613 L668 H672 Y680 D682 V729 P733	I609-L611 VanDerWaalsContact C-N 3.33Å; I609-L611 PolarHBondContact O-N 3Å; I609-R612 WeakPolarHBondContact O-CB 3.47Å; I609-R612 PolarHBondContact O-N 2.9Å; I609-C613 PolarHBondContact O-N 2.96Å; I609-C613 PolarHBondContact O-SG 3.23Å; I609-C613 VanDerWaalsContact O-SG 3.33Å; I609-L668 HydrophobicContact CD1-CD1 4.22Å; I609-L668 HydrophobicContact CG1-CD1 4.27Å; I609-H672 HydrophobicContact CD1-CB 3.75Å; I609-H672 HydrophobicContact CG1-CB 4.21Å; I609-Y680 HydrophobicContact CD1-CD1 4.08Å; I609-Y680 HydrophobicContact CD1-CG 3.88Å; I609-D682 WeakPolarHBondContact CG2-OD1 3.29Å; I609-D682 PolarHBondContact N-OD1 3.09Å; I609-V729 HydrophobicContact CG2-CG1 3.6Å; I609-V729 WeakPolarHBondContact CG2-O 3.49Å; I609-P733 HydrophobicContact CD1-CG 3.53Å; I609-P733 HydrophobicContact CG1-CG 4.14Å
610	D	98.7	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.5	-45	178.5	59.5	-38.9	0	0	0	111	W573 R598 C613 W614 V729 F732	W573-D610 PolarHBondContact NE1-OD1 3.39Å; W573-D610 PolarHBondContact NE1-OD2 3.15Å; R598-D610 IonicContact CZ-OD1 3.8Å; R598-D610 IonicContact CZ-OD2 3.62Å; R598-D610 IonicContact NH1-OD1 2.58Å; R598-D610 PolarHBondContact NH1-OD1 2.86Å; R598-D610 IonicContact NH1-OD2 3.72Å; R598-D610 IonicContact NH2-OD1 3.25Å; R598-D610 PolarHBondContact NH2-OD1 2.71Å; R598-D610 IonicContact NH2-OD2 3.95Å; R598-D610 PolarHBondContact NH2-OD2 2.93Å; D610-C613 PolarHBondContact O-N 3Å; D610-W614 PolarHBondContact O-N 3.43Å; D610-V729 HydrophobicContact CB-CG1 4.35Å; D610-F732 HydrophobicContact CB-CB 4.31Å; D610-F732 HydrophobicContact CB-CD1 3.86Å; D610-F732 HydrophobicContact CB-CD2 3.67Å; D610-F732 HydrophobicContact CB-CE1 4.09Å; D610-F732 HydrophobicContact CB-CE2 3.87Å; D610-F732 HydrophobicContact CB-CG 3.65Å; D610-F732 HydrophobicContact CB-CZ 4.07Å
611	L	98.7	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-41.9	175.6	-179	53.4	0	0	0	112.2	F559 Q563 Y571 W573 H608 I609 C613 W614 M615	F559-L611 HydrophobicContact CD1-CD1 4.13Å; F559-L611 HydrophobicContact CE1-CD1 4.31Å; Q563-L611 HydrophobicContact CB-CD2 3.83Å; Y571-L611 HydrophobicContact CG-CG 4.22Å; W573-L611 HydrophobicContact CD2-CB 4.23Å; W573-L611 HydrophobicContact CD2-CD2 3.89Å; W573-L611 HydrophobicContact CD2-CG 4.44Å; W573-L611 HydrophobicContact CE3-CD1 4.37Å; W573-L611 HydrophobicContact CE3-CD2 4Å; W573-L611 HydrophobicContact CG-CD2 4.29Å; W573-L611 HydrophobicContact CH2-CD1 3.61Å; W573-L611 HydrophobicContact CH2-CG 4.44Å; W573-L611 HydrophobicContact CZ2-CB 3.82Å; W573-L611 HydrophobicContact CZ2-CD1 3.79Å; W573-L611 HydrophobicContact CZ2-CG 4.22Å; W573-L611 HydrophobicContact CZ3-CD1 3.91Å; W573-L611 HydrophobicContact CZ3-CD2 4.36Å; H608-L611 HydrophobicContact CB-CB 4.38Å; H608-L611 PolarHBondContact O-N 3.38Å; I609-L611 VanDerWaalsContact C-N 3.33Å; I609-L611 PolarHBondContact O-N 3Å; L611-C613 VanDerWaalsContact C-N 3.29Å; L611-C613 PolarHBondContact O-N 3.13Å; L611-W614 PolarHBondContact O-N 2.78Å; L611-M615 HydrophobicContact CD1-CG 4.25Å; L611-M615 WeakPolarHBondContact O-CG 3.39Å; L611-M615 PolarHBondContact O-N 2.94Å
612	R	98.5	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.9	-45.8	174.3	-174.7	-176.7	-178.9	-77.3	3.5	110.9	L569 Y571 H608 I609 M615 T616 L662	L569-R612 WeakPolarHBondContact O-CD 3.18Å; L569-R612 PolarHBondContact O-NE 3.24Å; Y571-R612 HydrophobicContact CD2-CB 3.98Å; Y571-R612 HydrophobicContact CD2-CG 4.11Å; Y571-R612 HydrophobicContact CE2-CG 4.43Å; H608-R612 PolarHBondContact O-N 3.09Å; I609-R612 WeakPolarHBondContact O-CB 3.47Å; I609-R612 PolarHBondContact O-N 2.9Å; R612-M615 PolarHBondContact O-N 3.46Å; R612-T616 PolarHBondContact O-N 3Å; R612-T616 PolarHBondContact O-OG1 2.77Å; R612-T616 VanDerWaalsContact O-OG1 3.05Å; R612-L662 VanDerWaalsContact CZ-O 3.24Å; R612-L662 PolarHBondContact NH1-O 3.49Å; R612-L662 PolarHBondContact NH2-O 3.41Å; R612-L662 VanDerWaalsContact NH2-O 3.15Å
613	C	98.8	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66	-38.1	178.5	-67.1	0	0	0	0	113	I609 D610 L611 M615 T616 L617 F732 L736 V738	I609-C613 PolarHBondContact O-N 2.96Å; I609-C613 PolarHBondContact O-SG 3.23Å; I609-C613 VanDerWaalsContact O-SG 3.33Å; D610-C613 PolarHBondContact O-N 3Å; L611-C613 VanDerWaalsContact C-N 3.29Å; L611-C613 PolarHBondContact O-N 3.13Å; C613-M615 VanDerWaalsContact C-N 3.31Å; C613-M615 PolarHBondContact O-N 2.82Å; C613-T616 WeakPolarHBondContact O-CB 3.5Å; C613-T616 PolarHBondContact O-N 2.82Å; C613-L617 PolarHBondContact O-N 3.41Å; C613-F732 HydrophobicContact CB-CB 3.92Å; C613-F732 HydrophobicContact CB-CD1 4.32Å; C613-L736 HydrophobicContact CB-CD1 4.04Å; C613-V738 HydrophobicContact CB-CG2 4.11Å
614	W	98.8	Very high	98.6	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-43	172	-79.9	120.6	0	0	0	111.8	P516 P517 L521 D610 L611 T616 L617 F618 F732 L736	P516-W614 HydrophobicContact CB-CD2 4.19Å; P516-W614 HydrophobicContact CB-CG 4.49Å; P516-W614 HydrophobicContact CB-CZ2 3.93Å; P517-W614 HydrophobicContact CG-CB 3.94Å; P517-W614 HydrophobicContact CG-CE3 4.4Å; P517-W614 HydrophobicContact CG-CG 4.4Å; L521-W614 HydrophobicContact CD1-CH2 3.95Å; L521-W614 HydrophobicContact CD1-CZ3 4.15Å; L521-W614 HydrophobicContact CD2-CZ3 4.28Å; L521-W614 HydrophobicContact CG-CH2 4.4Å; L521-W614 HydrophobicContact CG-CZ3 4.09Å; D610-W614 PolarHBondContact O-N 3.43Å; L611-W614 PolarHBondContact O-N 2.78Å; W614-T616 VanDerWaalsContact C-N 3.35Å; W614-L617 HydrophobicContact CE3-CD2 4Å; W614-L617 HydrophobicContact CZ3-CD2 3.82Å; W614-L617 PolarHBondContact O-N 3.18Å; W614-F618 WeakPolarHBondContact O-CB 3.47Å; W614-F618 PolarHBondContact O-N 3.04Å; W614-F732 HydrophobicContact CD2-CE1 4.49Å; W614-F732 AromaticContact CE2-CE1 3.58Å; W614-F732 AromaticContact CZ2-CE1 3.81Å; W614-F732 HydrophobicContact CZ2-CE1 3.81Å; W614-F732 HydrophobicContact CZ2-CZ 4.45Å; W614-F732 AromaticContact NE1-CE1 3.27Å; W614-F732 VanDerWaalsContact NE1-CE1 3.27Å; W614-F732 AromaticContact NE1-CZ 3.95Å; W614-L736 HydrophobicContact CD2-CD1 3.73Å; W614-L736 HydrophobicContact CE3-CD1 3.67Å; W614-L736 HydrophobicContact CG-CD1 4.2Å; W614-L736 HydrophobicContact CH2-CD1 4.44Å; W614-L736 HydrophobicContact CH2-CD2 4.17Å; W614-L736 HydrophobicContact CZ3-CD1 4.04Å; W614-L736 HydrophobicContact CZ3-CD2 4.12Å
615	M	98.7	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.7	-33.5	177.4	-67.9	-57.5	-69	0	0	112.8	Y556 F559 N560 Y571 L611 R612 C613 F618 A619 L662	Y556-M615 HydrophobicContact CD1-CE 4.23Å; Y556-M615 HydrophobicContact CD2-CE 3.8Å; Y556-M615 HydrophobicContact CE1-CE 3.95Å; Y556-M615 HydrophobicContact CE2-CE 3.46Å; Y556-M615 VanDerWaalsContact CE2-CE 3.46Å; Y556-M615 HydrophobicContact CE2-SD 4.48Å; Y556-M615 HydrophobicContact CG-CE 4.17Å; F559-M615 HydrophobicContact CB-CE 3.61Å; F559-M615 HydrophobicContact CB-SD 3.46Å; F559-M615 WeakPolarHBondContact CB-SD 3.18Å; F559-M615 HydrophobicContact CD1-SD 4.23Å; F559-M615 HydrophobicContact CG-SD 3.87Å; N560-M615 HydrophobicContact CB-CE 4.25Å; Y571-M615 HydrophobicContact CD1-CG 3.97Å; Y571-M615 HydrophobicContact CD2-CB 4.4Å; Y571-M615 HydrophobicContact CD2-CG 4.32Å; Y571-M615 HydrophobicContact CE1-CB 4.24Å; Y571-M615 HydrophobicContact CE1-CE 4.06Å; Y571-M615 HydrophobicContact CE1-CG 3.68Å; Y571-M615 HydrophobicContact CE2-CB 3.82Å; Y571-M615 HydrophobicContact CE2-CG 4.04Å; Y571-M615 HydrophobicContact CG-CG 4.27Å; L611-M615 HydrophobicContact CD1-CG 4.25Å; L611-M615 WeakPolarHBondContact O-CG 3.39Å; L611-M615 PolarHBondContact O-N 2.94Å; R612-M615 PolarHBondContact O-N 3.46Å; C613-M615 VanDerWaalsContact C-N 3.31Å; C613-M615 PolarHBondContact O-N 2.82Å; M615-F618 PolarHBondContact O-N 2.97Å; M615-F618 HydrophobicContact SD-CD1 4.42Å; M615-A619 WeakPolarHBondContact O-CB 3.34Å; M615-A619 PolarHBondContact O-N 3.16Å; M615-L662 HydrophobicContact CB-CD1 4.08Å
616	T	98.7	Very high	98.7	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-62.1	-50.2	170.9	-48.6	0	0	0	0	111.4	R612 C613 W614 F618 A619 R620 L662 V738	R612-T616 PolarHBondContact O-N 3Å; R612-T616 PolarHBondContact O-OG1 2.77Å; R612-T616 VanDerWaalsContact O-OG1 3.05Å; C613-T616 WeakPolarHBondContact O-CB 3.5Å; C613-T616 PolarHBondContact O-N 2.82Å; W614-T616 VanDerWaalsContact C-N 3.35Å; T616-F618 VanDerWaalsContact C-N 3.28Å; T616-F618 PolarHBondContact O-N 2.84Å; T616-A619 PolarHBondContact O-N 3.44Å; T616-R620 WeakPolarHBondContact O-CB 3.4Å; T616-R620 PolarHBondContact O-N 3.24Å; T616-L662 HydrophobicContact CG2-CB 4.12Å; T616-L662 WeakPolarHBondContact OG1-CB 3.16Å; T616-L662 PolarHBondContact OG1-O 3.41Å; T616-V738 HydrophobicContact CG2-CG1 4.11Å; T616-V738 HydrophobicContact CG2-CG2 4.06Å
617	L	98.7	Very high	98.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-59	-44.6	176.6	174.2	67.3	0	0	0	110.4	I520 L521 C613 W614 A619 R620 V621 L736	I520-L617 HydrophobicContact CG2-CD2 3.69Å; I520-L617 HydrophobicContact CG2-CG 3.9Å; L521-L617 HydrophobicContact CD2-CD2 3.62Å; L521-L617 HydrophobicContact CG-CD2 4.33Å; C613-L617 PolarHBondContact O-N 3.41Å; W614-L617 HydrophobicContact CE3-CD2 4Å; W614-L617 HydrophobicContact CZ3-CD2 3.82Å; W614-L617 PolarHBondContact O-N 3.18Å; L617-A619 PolarHBondContact O-N 3.11Å; L617-R620 VanDerWaalsContact CD1-NH2 3.25Å; L617-R620 PolarHBondContact O-N 3.06Å; L617-V621 HydrophobicContact CD1-CG2 3.87Å; L617-V621 HydrophobicContact CG-CG2 4.32Å; L617-V621 WeakPolarHBondContact O-CG2 3.37Å; L617-V621 PolarHBondContact O-N 3.45Å; L617-L736 HydrophobicContact CB-CD1 4.39Å; L617-L736 HydrophobicContact CD2-CD1 4.37Å; L617-L736 HydrophobicContact CD2-CD2 4.24Å
618	F	98.8	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-47.7	-177.7	-161.7	176.5	0	0	0	111.4	P517 I520 L552 W555 Y556 F559 W614 M615 T616 R620 V621 M622	P517-F618 HydrophobicContact CB-CD1 3.82Å; P517-F618 HydrophobicContact CB-CE1 4.07Å; P517-F618 HydrophobicContact CG-CD1 4.01Å; I520-F618 HydrophobicContact CB-CD2 4.34Å; I520-F618 HydrophobicContact CD1-CD2 3.56Å; I520-F618 HydrophobicContact CD1-CE2 3.7Å; I520-F618 HydrophobicContact CG1-CD2 3.72Å; I520-F618 HydrophobicContact CG1-CE2 4.32Å; I520-F618 HydrophobicContact CG1-CG 4.4Å; L552-F618 HydrophobicContact CB-CE2 4.27Å; L552-F618 HydrophobicContact CD2-CE2 4.38Å; L552-F618 HydrophobicContact CD2-CZ 4.44Å; L552-F618 WeakPolarHBondContact O-CZ 3.3Å; W555-F618 HydrophobicContact CB-CE1 4.48Å; W555-F618 HydrophobicContact CB-CZ 4.17Å; W555-F618 AromaticContact CD2-CE1 3.96Å; W555-F618 HydrophobicContact CD2-CE1 3.96Å; W555-F618 AromaticContact CD2-CZ 4Å; W555-F618 HydrophobicContact CD2-CZ 4Å; W555-F618 AromaticContact CE3-CE1 3.64Å; W555-F618 HydrophobicContact CE3-CE1 3.64Å; W555-F618 HydrophobicContact CE3-CE2 4.32Å; W555-F618 AromaticContact CE3-CZ 3.38Å; W555-F618 HydrophobicContact CE3-CZ 3.38Å; W555-F618 HydrophobicContact CG-CE1 4.31Å; W555-F618 HydrophobicContact CG-CZ 4.33Å; W555-F618 HydrophobicContact CZ3-CE1 4.2Å; W555-F618 HydrophobicContact CZ3-CZ 4.08Å; Y556-F618 HydrophobicContact CD2-CB 3.95Å; Y556-F618 AromaticContact CD2-CD1 3.67Å; Y556-F618 HydrophobicContact CD2-CD1 3.67Å; Y556-F618 HydrophobicContact CD2-CD2 4.03Å; Y556-F618 HydrophobicContact CD2-CE1 4.11Å; Y556-F618 HydrophobicContact CD2-CE2 4.41Å; Y556-F618 AromaticContact CD2-CG 3.61Å; Y556-F618 HydrophobicContact CD2-CG 3.61Å; Y556-F618 HydrophobicContact CD2-CZ 4.44Å; Y556-F618 HydrophobicContact CE2-CB 4.1Å; Y556-F618 HydrophobicContact CE2-CD1 4.5Å; Y556-F618 HydrophobicContact CE2-CG 4.28Å; Y556-F618 HydrophobicContact CG-CD1 4.44Å; Y556-F618 HydrophobicContact CG-CE1 4.47Å; F559-F618 HydrophobicContact CD2-CE1 4.25Å; W614-F618 WeakPolarHBondContact O-CB 3.47Å; W614-F618 PolarHBondContact O-N 3.04Å; M615-F618 PolarHBondContact O-N 2.97Å; M615-F618 HydrophobicContact SD-CD1 4.42Å; T616-F618 VanDerWaalsContact C-N 3.28Å; T616-F618 PolarHBondContact O-N 2.84Å; F618-R620 PolarHBondContact O-N 3.25Å; F618-V621 PolarHBondContact O-N 3.43Å; F618-M622 HydrophobicContact CD2-CG 3.74Å; F618-M622 HydrophobicContact CE2-CG 3.71Å; F618-M622 HydrophobicContact CE2-SD 4.02Å; F618-M622 WeakPolarHBondContact O-CB 3.5Å; F618-M622 VanDerWaalsContact O-CG 3.29Å; F618-M622 WeakPolarHBondContact O-CG 3.41Å; F618-M622 PolarHBondContact O-N 2.85Å
619	A	98.8	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-44.2	175.2	0	0	0	0	0	112.3	Y556 M615 T616 L617 V621 M622 A623 Y655 W658 A659	Y556-A619 HydrophobicContact CE2-CB 3.87Å; M615-A619 WeakPolarHBondContact O-CB 3.34Å; M615-A619 PolarHBondContact O-N 3.16Å; T616-A619 PolarHBondContact O-N 3.44Å; L617-A619 PolarHBondContact O-N 3.11Å; A619-V621 PolarHBondContact O-N 3.3Å; A619-M622 PolarHBondContact O-N 3.22Å; A619-A623 PolarHBondContact O-N 3.26Å; A619-Y655 HydrophobicContact CB-CD1 4.38Å; A619-W658 HydrophobicContact CB-CB 3.84Å; A619-A659 HydrophobicContact CB-CB 4.04Å
620	R	98.5	Very high	98.3	Very high	77 Å²	77	16.1 Å²	16.1	29%	0.291	7%	0.07	S	C	.	.	H	α-helix	trans	-59.8	-46.4	179.2	-179.4	173.3	70.1	-155.8	-2	112.2	E524 T616 L617 F618 A623 K624 A659 L736 K737	E524-R620 IonicContact OE1-NE 2.81Å; E524-R620 IonicContact OE1-NH2 3.36Å; T616-R620 WeakPolarHBondContact O-CB 3.4Å; T616-R620 PolarHBondContact O-N 3.24Å; L617-R620 VanDerWaalsContact CD1-NH2 3.25Å; L617-R620 PolarHBondContact O-N 3.06Å; F618-R620 PolarHBondContact O-N 3.25Å; R620-A623 PolarHBondContact O-N 2.91Å; R620-K624 PolarHBondContact O-N 2.97Å; R620-A659 HydrophobicContact CB-CB 4.23Å; R620-L736 PolarHBondContact NH2-O 2.94Å; R620-K737 PolarHBondContact NH1-O 2.94Å
621	V	98.8	Very high	98	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	9%	0.087	C	C	.	.	H	α-helix	trans	-70.6	-36.6	-179.7	178.7	0	0	0	0	110.9	I520 V523 E524 L527 L617 F618 A619 A623 K624 L625	I520-V621 HydrophobicContact CD1-CB 3.85Å; I520-V621 HydrophobicContact CD1-CG1 3.55Å; I520-V621 HydrophobicContact CG1-CB 3.52Å; I520-V621 HydrophobicContact CG1-CG1 3.61Å; I520-V621 HydrophobicContact CG1-CG2 3.95Å; V523-V621 HydrophobicContact CB-CG1 4.15Å; V523-V621 HydrophobicContact CG1-CG1 3.89Å; E524-V621 HydrophobicContact CB-CG1 4.24Å; E524-V621 HydrophobicContact CB-CG2 3.75Å; E524-V621 HydrophobicContact CG-CG2 3.94Å; L527-V621 HydrophobicContact CD1-CG1 3.96Å; L617-V621 HydrophobicContact CD1-CG2 3.87Å; L617-V621 HydrophobicContact CG-CG2 4.32Å; L617-V621 WeakPolarHBondContact O-CG2 3.37Å; L617-V621 PolarHBondContact O-N 3.45Å; F618-V621 PolarHBondContact O-N 3.43Å; A619-V621 PolarHBondContact O-N 3.3Å; V621-A623 PolarHBondContact O-N 3.17Å; V621-K624 PolarHBondContact O-N 3.06Å; V621-L625 WeakPolarHBondContact O-CB 3.29Å; V621-L625 PolarHBondContact O-N 3.43Å
622	M	98.8	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-44	173.5	-78.3	-63.4	-71.1	0	0	112.3	L549 L552 H553 F618 A619 K624 L625 A626 Y655	L549-M622 HydrophobicContact CD1-CE 3.7Å; L549-M622 HydrophobicContact CD1-SD 4.27Å; L552-M622 HydrophobicContact CB-CE 4.03Å; L552-M622 HydrophobicContact CB-SD 3.39Å; L552-M622 WeakPolarHBondContact CB-SD 3.21Å; L552-M622 HydrophobicContact CD1-SD 4.12Å; L552-M622 HydrophobicContact CG-SD 4.4Å; H553-M622 HydrophobicContact CB-CE 3.87Å; F618-M622 HydrophobicContact CD2-CG 3.74Å; F618-M622 HydrophobicContact CE2-CG 3.71Å; F618-M622 HydrophobicContact CE2-SD 4.02Å; F618-M622 WeakPolarHBondContact O-CB 3.5Å; F618-M622 VanDerWaalsContact O-CG 3.29Å; F618-M622 WeakPolarHBondContact O-CG 3.41Å; F618-M622 PolarHBondContact O-N 2.85Å; A619-M622 PolarHBondContact O-N 3.22Å; M622-K624 VanDerWaalsContact C-N 3.35Å; M622-K624 PolarHBondContact O-N 3.01Å; M622-L625 PolarHBondContact O-N 3.01Å; M622-A626 VanDerWaalsContact O-CB 3.25Å; M622-A626 WeakPolarHBondContact O-CB 3.39Å; M622-A626 PolarHBondContact O-N 3.14Å; M622-Y655 HydrophobicContact CB-CD1 3.75Å; M622-Y655 HydrophobicContact CB-CD2 3.67Å; M622-Y655 HydrophobicContact CB-CE1 4.11Å; M622-Y655 HydrophobicContact CB-CE2 4.03Å; M622-Y655 HydrophobicContact CB-CG 3.52Å; M622-Y655 HydrophobicContact CE-CD2 4.01Å; M622-Y655 HydrophobicContact CE-CE2 3.32Å; M622-Y655 HydrophobicContact CG-CD1 4.33Å; M622-Y655 HydrophobicContact CG-CD2 4.47Å; M622-Y655 HydrophobicContact CG-CE1 4.23Å; M622-Y655 HydrophobicContact CG-CE2 4.35Å; M622-Y655 HydrophobicContact CG-CG 4.46Å
623	A	98.7	Very high	97.2	Very high	13 Å²	13	22.4 Å²	22.4	11%	0.107	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-45.1	176	0	0	0	0	0	111.7	A619 R620 V621 Y627	A619-A623 PolarHBondContact O-N 3.26Å; R620-A623 PolarHBondContact O-N 2.91Å; V621-A623 PolarHBondContact O-N 3.17Å; A623-Y627 WeakPolarHBondContact O-CB 3.29Å; A623-Y627 PolarHBondContact O-N 3.19Å
624	K	98.5	Very high	96.7	Very high	85 Å²	85	26.9 Å²	26.9	37%	0.37	12%	0.12	S	C	.	.	H	α-helix	trans	-64.4	-44.7	177.5	-172.9	176.5	-178.1	173.8	0	112.2	L527 D528 R620 V621 M622 Y627 V628	L527-K624 HydrophobicContact CB-CD 4.26Å; L527-K624 HydrophobicContact CD1-CB 4.32Å; L527-K624 HydrophobicContact CD1-CD 4.18Å; L527-K624 HydrophobicContact CD1-CG 4.13Å; D528-K624 IonicContact OD1-NZ 3.47Å; D528-K624 PolarHBondContact OD1-NZ 3.2Å; R620-K624 PolarHBondContact O-N 2.97Å; V621-K624 PolarHBondContact O-N 3.06Å; M622-K624 VanDerWaalsContact C-N 3.35Å; M622-K624 PolarHBondContact O-N 3.01Å; K624-Y627 PolarHBondContact O-N 2.83Å; K624-V628 WeakPolarHBondContact O-CG2 3.27Å; K624-V628 PolarHBondContact O-N 3.38Å; K624-V628 VanDerWaalsContact O-N 3.08Å
625	L	98.7	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-48	178	-177.9	64.2	0	0	0	111.1	V523 L527 F541 I548 L549 L552 V621 M622 Y627 V628 V629	V523-L625 HydrophobicContact CG1-CD1 4.5Å; V523-L625 HydrophobicContact CG1-CD2 4.25Å; L527-L625 HydrophobicContact CD1-CB 4.13Å; L527-L625 HydrophobicContact CD1-CD1 4.46Å; L527-L625 HydrophobicContact CD2-CD1 4.08Å; F541-L625 HydrophobicContact CZ-CD1 4.48Å; I548-L625 HydrophobicContact CD1-CD2 4.06Å; I548-L625 HydrophobicContact CG1-CD2 4.03Å; L549-L625 HydrophobicContact CB-CD2 4.25Å; L549-L625 HydrophobicContact CD1-CB 4.47Å; L549-L625 HydrophobicContact CD1-CD2 3.91Å; L549-L625 HydrophobicContact CD1-CG 4.08Å; L552-L625 HydrophobicContact CD1-CD2 3.63Å; V621-L625 WeakPolarHBondContact O-CB 3.29Å; V621-L625 PolarHBondContact O-N 3.43Å; M622-L625 PolarHBondContact O-N 3.01Å; L625-Y627 VanDerWaalsContact C-N 3.28Å; L625-Y627 PolarHBondContact O-N 3.42Å; L625-V628 PolarHBondContact O-N 3.03Å; L625-V629 HydrophobicContact CD1-CG2 4.31Å; L625-V629 HydrophobicContact CG-CG2 4.41Å; L625-V629 WeakPolarHBondContact O-CG2 3.49Å; L625-V629 PolarHBondContact O-N 3.36Å
626	A	98.3	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-43.3	177.9	0	0	0	0	0	111	L549 M622 V628 V629 T630 L651 I652	L549-A626 HydrophobicContact CD1-CB 4.15Å; L549-A626 HydrophobicContact CD2-CB 4.29Å; M622-A626 VanDerWaalsContact O-CB 3.25Å; M622-A626 WeakPolarHBondContact O-CB 3.39Å; M622-A626 PolarHBondContact O-N 3.14Å; A626-V628 PolarHBondContact O-N 2.9Å; A626-V629 PolarHBondContact O-N 3.07Å; A626-T630 WeakPolarHBondContact O-CB 3.32Å; A626-T630 PolarHBondContact O-N 3.19Å; A626-T630 PolarHBondContact O-OG1 2.78Å; A626-L651 HydrophobicContact CB-CB 4.13Å; A626-I652 HydrophobicContact CB-CG1 3.68Å
627	Y	98.1	Very high	92.7	Very high	130 Å²	130	44 Å²	44	51%	0.51	21%	0.21	S	C	.	.	H	α-helix	trans	-57.4	-50.7	175	179.4	-94.3	0	0	0	112.2	A623 K624 L625 V629 T630 Q631 I652	A623-Y627 WeakPolarHBondContact O-CB 3.29Å; A623-Y627 PolarHBondContact O-N 3.19Å; K624-Y627 PolarHBondContact O-N 2.83Å; L625-Y627 VanDerWaalsContact C-N 3.28Å; L625-Y627 PolarHBondContact O-N 3.42Å; Y627-V629 PolarHBondContact O-N 3Å; Y627-T630 WeakPolarHBondContact O-CB 3.41Å; Y627-T630 PolarHBondContact O-N 2.84Å; Y627-Q631 HydrophobicContact CD1-CG 4.35Å; Y627-Q631 HydrophobicContact CE1-CG 3.97Å; Y627-Q631 WeakPolarHBondContact O-CG 3.22Å; Y627-Q631 PolarHBondContact O-N 3.24Å; Y627-I652 HydrophobicContact CD2-CD1 4.3Å
628	V	97.1	Very high	91.3	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.127	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-44.4	179.1	169.9	0	0	0	0	111.6	L527 L530 F541 K624 L625 A626 T630 Q631 F632	L527-V628 HydrophobicContact CD2-CB 4.21Å; L527-V628 HydrophobicContact CD2-CG1 4.45Å; L527-V628 HydrophobicContact CD2-CG2 3.91Å; L530-V628 HydrophobicContact CD2-CG1 3.92Å; F541-V628 HydrophobicContact CE1-CG1 4.14Å; K624-V628 WeakPolarHBondContact O-CG2 3.27Å; K624-V628 PolarHBondContact O-N 3.38Å; K624-V628 VanDerWaalsContact O-N 3.08Å; L625-V628 PolarHBondContact O-N 3.03Å; A626-V628 PolarHBondContact O-N 2.9Å; V628-T630 PolarHBondContact O-N 3.47Å; V628-Q631 WeakPolarHBondContact O-CB 3.36Å; V628-Q631 PolarHBondContact O-N 3.27Å; V628-F632 HydrophobicContact CG1-CD2 3.94Å; V628-F632 HydrophobicContact CG1-CE1 4.37Å; V628-F632 HydrophobicContact CG1-CE2 3.33Å; V628-F632 HydrophobicContact CG1-CZ 3.59Å; V628-F632 WeakPolarHBondContact O-CD2 3.38Å; V628-F632 WeakPolarHBondContact O-CG 3.38Å; V628-F632 PolarHBondContact O-N 2.74Å
629	V	96.2	Very high	89.3	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-42.7	177.2	172	0	0	0	0	111.2	I546 L549 L625 A626 Y627 Q631 F632 M633 T648	I546-V629 HydrophobicContact CG1-CG1 3.99Å; L549-V629 HydrophobicContact CD2-CB 3.96Å; L549-V629 HydrophobicContact CD2-CG1 3.94Å; L549-V629 HydrophobicContact CD2-CG2 4.12Å; L625-V629 HydrophobicContact CD1-CG2 4.31Å; L625-V629 HydrophobicContact CG-CG2 4.41Å; L625-V629 WeakPolarHBondContact O-CG2 3.49Å; L625-V629 PolarHBondContact O-N 3.36Å; A626-V629 PolarHBondContact O-N 3.07Å; Y627-V629 PolarHBondContact O-N 3Å; V629-Q631 VanDerWaalsContact C-N 3.3Å; V629-Q631 PolarHBondContact O-N 3.46Å; V629-F632 WeakPolarHBondContact O-CB 3.18Å; V629-F632 PolarHBondContact O-N 2.84Å; V629-F632 VanDerWaalsContact O-N 3.15Å; V629-M633 HydrophobicContact CG1-CG 4.29Å; V629-M633 HydrophobicContact CG1-SD 3.97Å; V629-M633 WeakPolarHBondContact O-CG 3.28Å; V629-M633 PolarHBondContact O-N 2.76Å; V629-T648 HydrophobicContact CG1-CG2 3.95Å
630	T	95.3	Very high	87.6	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-42.9	174	-64.4	0	0	0	0	111.2	A626 Y627 V628 F632 M633 Q634 L645 T648 R649 I652	A626-T630 WeakPolarHBondContact O-CB 3.32Å; A626-T630 PolarHBondContact O-N 3.19Å; A626-T630 PolarHBondContact O-OG1 2.78Å; Y627-T630 WeakPolarHBondContact O-CB 3.41Å; Y627-T630 PolarHBondContact O-N 2.84Å; V628-T630 PolarHBondContact O-N 3.47Å; T630-F632 PolarHBondContact O-N 3.39Å; T630-M633 PolarHBondContact O-N 3.21Å; T630-Q634 VanDerWaalsContact O-CG 3.31Å; T630-Q634 WeakPolarHBondContact O-CG 3.49Å; T630-Q634 PolarHBondContact O-N 3.31Å; T630-L645 HydrophobicContact CG2-CD1 3.75Å; T630-T648 WeakPolarHBondContact OG1-CB 3.38Å; T630-T648 PolarHBondContact OG1-OG1 2.94Å; T630-R649 HydrophobicContact CG2-CG 3.93Å; T630-I652 HydrophobicContact CG2-CD1 4.32Å; T630-I652 WeakPolarHBondContact OG1-CD1 3.5Å
631	Q	93.6	Very high	86	Confident	74 Å²	74	57.4 Å²	57.4	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175.6	-63	-52.6	-58	0	0	111.6	Y627 V628 V629 M633 Q634	Y627-Q631 HydrophobicContact CD1-CG 4.35Å; Y627-Q631 HydrophobicContact CE1-CG 3.97Å; Y627-Q631 WeakPolarHBondContact O-CG 3.22Å; Y627-Q631 PolarHBondContact O-N 3.24Å; V628-Q631 WeakPolarHBondContact O-CB 3.36Å; V628-Q631 PolarHBondContact O-N 3.27Å; V629-Q631 VanDerWaalsContact C-N 3.3Å; V629-Q631 PolarHBondContact O-N 3.46Å; Q631-M633 VanDerWaalsContact C-N 3.31Å; Q631-M633 PolarHBondContact O-N 3.21Å; Q631-Q634 PolarHBondContact O-N 3.49Å
632	F	92	Very high	85	Confident	40 Å²	40	67.2 Å²	67.2	18%	0.175	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-36.6	176.4	-66.8	-30.8	0	0	0	113.2	L530 F541 R542 V628 V629 T630 T635	L530-F632 HydrophobicContact CD1-CZ 4.48Å; L530-F632 HydrophobicContact CD2-CZ 4.08Å; F541-F632 HydrophobicContact CD1-CE2 4.03Å; F541-F632 HydrophobicContact CD1-CZ 4.28Å; F541-F632 HydrophobicContact CE1-CE2 4.13Å; R542-F632 HydrophobicContact CB-CD2 3.95Å; R542-F632 HydrophobicContact CB-CE2 3.9Å; R542-F632 HydrophobicContact CB-CG 4.29Å; R542-F632 HydrophobicContact CB-CZ 4.21Å; R542-F632 HydrophobicContact CG-CB 3.94Å; R542-F632 HydrophobicContact CG-CD1 4.2Å; R542-F632 HydrophobicContact CG-CD2 3.7Å; R542-F632 HydrophobicContact CG-CE2 4.18Å; R542-F632 HydrophobicContact CG-CG 3.7Å; R542-F632 PolarHBondContact NH2-O 2.85Å; V628-F632 HydrophobicContact CG1-CD2 3.94Å; V628-F632 HydrophobicContact CG1-CE1 4.37Å; V628-F632 HydrophobicContact CG1-CE2 3.33Å; V628-F632 HydrophobicContact CG1-CZ 3.59Å; V628-F632 WeakPolarHBondContact O-CD2 3.38Å; V628-F632 WeakPolarHBondContact O-CG 3.38Å; V628-F632 PolarHBondContact O-N 2.74Å; V629-F632 WeakPolarHBondContact O-CB 3.18Å; V629-F632 PolarHBondContact O-N 2.84Å; V629-F632 VanDerWaalsContact O-N 3.15Å; T630-F632 PolarHBondContact O-N 3.39Å; F632-T635 PolarHBondContact O-OG1 3.17Å
633	M	88.2	Confident	84.1	Confident	18 Å²	18	71.6 Å²	71.6	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-76.3	-28.2	179.7	-69.2	-176.5	117.4	0	0	113	V629 T630 Q631 T635 D636 K644 L645 T648	V629-M633 HydrophobicContact CG1-CG 4.29Å; V629-M633 HydrophobicContact CG1-SD 3.97Å; V629-M633 WeakPolarHBondContact O-CG 3.28Å; V629-M633 PolarHBondContact O-N 2.76Å; T630-M633 PolarHBondContact O-N 3.21Å; Q631-M633 VanDerWaalsContact C-N 3.31Å; Q631-M633 PolarHBondContact O-N 3.21Å; M633-T635 PolarHBondContact O-N 3.21Å; M633-D636 PolarHBondContact O-N 2.79Å; M633-K644 HydrophobicContact CE-CB 3.55Å; M633-K644 HydrophobicContact CE-CD 3.96Å; M633-K644 HydrophobicContact CE-CG 4.41Å; M633-K644 HydrophobicContact SD-CB 4.36Å; M633-L645 HydrophobicContact CB-CD1 3.85Å; M633-T648 HydrophobicContact SD-CG2 3.87Å
634	Q	86.5	Confident	83.5	Confident	93 Å²	93	76.6 Å²	76.6	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-27.5	176.1	-76.1	173.8	6.4	0	0	113.1	T630 Q631 D636 L645	T630-Q634 VanDerWaalsContact O-CG 3.31Å; T630-Q634 WeakPolarHBondContact O-CG 3.49Å; T630-Q634 PolarHBondContact O-N 3.31Å; Q631-Q634 PolarHBondContact O-N 3.49Å; Q634-D636 VanDerWaalsContact C-N 3.34Å; Q634-L645 HydrophobicContact CG-CD1 3.82Å; Q634-L645 HydrophobicContact CG-CD2 4.2Å
635	T	81.4	Confident	83	Confident	101 Å²	101	73.5 Å²	73.5	62%	0.62	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	177.3	62.1	0	0	0	0	113.4	R542 F632 M633	R542-T635 PolarHBondContact NH2-OG1 3.32Å; F632-T635 PolarHBondContact O-OG1 3.17Å; M633-T635 PolarHBondContact O-N 3.21Å
636	D	71.5	Confident	82.6	Confident	66 Å²	66	78.3 Å²	78.3	35%	0.353	40%	0.397	S	S	.	.			trans	-92.7	120.5	179.5	-166.9	-20.8	0	0	0	110.3	M633 Q634 N638	M633-D636 PolarHBondContact O-N 2.79Å; Q634-D636 VanDerWaalsContact C-N 3.34Å; D636-N638 VanDerWaalsContact C-N 3.28Å; D636-N638 PolarHBondContact O-N 2.97Å; D636-N638 PolarHBondContact OD1-N 2.92Å; D636-N638 PolarHBondContact OD1-ND2 2.96Å; D636-N638 VanDerWaalsContact OD1-ND2 3.09Å
637	Q	61.4	Low	82.3	Confident	198 Å²	198	83.5 Å²	83.5	93%	0.925	42%	0.421	S	S	*	.			trans	-80.2	1	-174.2	-65.5	-159	-2.6	0	0	114.7
638	N	67.3	Low	82.1	Confident	109 Å²	109	77.7 Å²	77.7	58%	0.583	40%	0.399	S	S	*	.			trans	-69.7	134.2	-176.8	-78.9	-48	0	0	0	114.1	D636 N640 S641	D636-N638 VanDerWaalsContact C-N 3.28Å; D636-N638 PolarHBondContact O-N 2.97Å; D636-N638 PolarHBondContact OD1-N 2.92Å; D636-N638 PolarHBondContact OD1-ND2 2.96Å; D636-N638 VanDerWaalsContact OD1-ND2 3.09Å; N638-N640 PolarHBondContact O-N 3Å; N638-S641 WeakPolarHBondContact O-CB 3Å; N638-S641 PolarHBondContact O-N 3.24Å; N638-S641 PolarHBondContact O-OG 2.9Å; N638-S641 VanDerWaalsContact O-OG 3.07Å
639	A	57.1	Low	82.1	Confident	89 Å²	89	81.4 Å²	81.4	74%	0.736	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.3	-176.3	0	0	0	0	0	114.3	S641 R642	A639-S641 PolarHBondContact O-N 3.33Å; A639-S641 VanDerWaalsContact O-N 3.13Å; A639-R642 PolarHBondContact O-N 3.46Å
640	N	63.3	Low	82.1	Confident	143 Å²	143	84.3 Å²	84.3	77%	0.765	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.4	172.9	-80.5	-8.4	0	0	0	113.3	N638	N638-N640 PolarHBondContact O-N 3Å
641	S	66.3	Low	82.2	Confident	18 Å²	18	84.7 Å²	84.7	13%	0.126	43%	0.434	C	S	.	.	H	α-helix	trans	-80.3	-19.2	-179	-56.1	0	0	0	0	113.2	N638 A639 L645	N638-S641 WeakPolarHBondContact O-CB 3Å; N638-S641 PolarHBondContact O-N 3.24Å; N638-S641 PolarHBondContact O-OG 2.9Å; N638-S641 VanDerWaalsContact O-OG 3.07Å; A639-S641 PolarHBondContact O-N 3.33Å; A639-S641 VanDerWaalsContact O-N 3.13Å; S641-L645 WeakPolarHBondContact O-CB 3.31Å; S641-L645 PolarHBondContact O-N 3.23Å
642	R	76.2	Confident	82.5	Confident	209 Å²	209	82.9 Å²	82.9	79%	0.789	43%	0.426	S	S	*	.	H	α-helix	trans	-65.7	-44.9	-175.5	-80	-170.9	-174.6	174.1	3.2	114	A639 L645 E646	A639-R642 PolarHBondContact O-N 3.46Å; R642-L645 WeakPolarHBondContact O-CB 3.39Å; R642-L645 PolarHBondContact O-N 2.68Å; R642-E646 PolarHBondContact O-N 3.28Å; R642-E646 VanDerWaalsContact O-N 3.09Å
643	S	81.4	Confident	82.8	Confident	91 Å²	91	86 Å²	86	64%	0.636	45%	0.448	S	S	*	.	H	α-helix	trans	-65.8	-45.6	179.5	55.9	0	0	0	0	111.4	L645 E646 E647	S643-L645 VanDerWaalsContact C-N 3.29Å; S643-L645 PolarHBondContact O-N 3.46Å; S643-E646 PolarHBondContact O-N 3.29Å; S643-E647 PolarHBondContact O-N 2.88Å
644	K	84.8	Confident	83.3	Confident	118 Å²	118	88.1 Å²	88.1	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-37	174.8	-64.7	-175.8	178.3	-178.8	0	112.1	M633 E646 E647 T648	M633-K644 HydrophobicContact CE-CB 3.55Å; M633-K644 HydrophobicContact CE-CD 3.96Å; M633-K644 HydrophobicContact CE-CG 4.41Å; M633-K644 HydrophobicContact SD-CB 4.36Å; K644-E646 VanDerWaalsContact C-N 3.33Å; K644-E646 PolarHBondContact O-N 2.65Å; K644-E647 WeakPolarHBondContact O-CB 3.43Å; K644-E647 PolarHBondContact O-N 2.94Å; K644-T648 WeakPolarHBondContact O-CG2 3.4Å; K644-T648 PolarHBondContact O-N 3.48Å; K644-T648 PolarHBondContact O-OG1 3.33Å
645	L	89.1	Confident	83.8	Confident	21 Å²	21	83.7 Å²	83.7	11%	0.11	44%	0.437	C	S	.	.	H	α-helix	trans	-61.4	-44	175.7	-178.4	67.3	0	0	0	111	T630 M633 Q634 S641 R642 S643 T648 R649	T630-L645 HydrophobicContact CG2-CD1 3.75Å; M633-L645 HydrophobicContact CB-CD1 3.85Å; Q634-L645 HydrophobicContact CG-CD1 3.82Å; Q634-L645 HydrophobicContact CG-CD2 4.2Å; S641-L645 WeakPolarHBondContact O-CB 3.31Å; S641-L645 PolarHBondContact O-N 3.23Å; R642-L645 WeakPolarHBondContact O-CB 3.39Å; R642-L645 PolarHBondContact O-N 2.68Å; S643-L645 VanDerWaalsContact C-N 3.29Å; S643-L645 PolarHBondContact O-N 3.46Å; L645-T648 PolarHBondContact O-N 2.98Å; L645-T648 PolarHBondContact O-OG1 3.45Å; L645-R649 WeakPolarHBondContact O-CG 3.42Å; L645-R649 PolarHBondContact O-N 2.76Å
646	E	89.6	Confident	84.7	Confident	100 Å²	100	81.5 Å²	81.5	47%	0.467	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-36.5	177.8	-163.2	55.9	-148.6	0	0	112.7	R642 S643 K644 R649 S650	R642-E646 PolarHBondContact O-N 3.28Å; R642-E646 VanDerWaalsContact O-N 3.09Å; S643-E646 PolarHBondContact O-N 3.29Å; K644-E646 VanDerWaalsContact C-N 3.33Å; K644-E646 PolarHBondContact O-N 2.65Å; E646-R649 PolarHBondContact O-N 3.12Å; E646-R649 IonicContact OE2-NH1 3.76Å; E646-R649 PolarHBondContact OE2-NH1 3.33Å; E646-S650 PolarHBondContact O-N 3.47Å; E646-S650 PolarHBondContact O-OG 3.19Å
647	E	92.1	Very high	85.9	Confident	109 Å²	109	86.8 Å²	86.8	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-58.7	-49.6	170.7	-173	-178.5	-179.3	0	0	110.8	S643 K644 R649 S650 L651	S643-E647 PolarHBondContact O-N 2.88Å; K644-E647 WeakPolarHBondContact O-CB 3.43Å; K644-E647 PolarHBondContact O-N 2.94Å; E647-R649 VanDerWaalsContact C-N 3.32Å; E647-R649 PolarHBondContact O-N 3.22Å; E647-S650 WeakPolarHBondContact O-CB 3.49Å; E647-S650 PolarHBondContact O-N 2.82Å; E647-S650 VanDerWaalsContact O-N 3.11Å; E647-L651 WeakPolarHBondContact O-CG 3.41Å; E647-L651 PolarHBondContact O-N 3.41Å
648	T	94.4	Very high	87.7	Confident	9 Å²	9	80.5 Å²	80.5	6%	0.055	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-37.3	178.6	61.5	0	0	0	0	112.8	L549 V629 T630 M633 K644 L645 S650 L651 I652	L549-T648 HydrophobicContact CD2-CG2 3.87Å; V629-T648 HydrophobicContact CG1-CG2 3.95Å; T630-T648 WeakPolarHBondContact OG1-CB 3.38Å; T630-T648 PolarHBondContact OG1-OG1 2.94Å; M633-T648 HydrophobicContact SD-CG2 3.87Å; K644-T648 WeakPolarHBondContact O-CG2 3.4Å; K644-T648 PolarHBondContact O-N 3.48Å; K644-T648 PolarHBondContact O-OG1 3.33Å; L645-T648 PolarHBondContact O-N 2.98Å; L645-T648 PolarHBondContact O-OG1 3.45Å; T648-S650 VanDerWaalsContact C-N 3.35Å; T648-L651 PolarHBondContact O-N 2.85Å; T648-I652 WeakPolarHBondContact O-CG1 3.35Å; T648-I652 PolarHBondContact O-N 2.9Å
649	R	95.8	Very high	89.2	Confident	98 Å²	98	75.9 Å²	75.9	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-41.4	173.5	-73.6	174.2	178.6	150.1	-1.5	112.2	T630 L645 E646 E647 L651 I652 V653	T630-R649 HydrophobicContact CG2-CG 3.93Å; L645-R649 WeakPolarHBondContact O-CG 3.42Å; L645-R649 PolarHBondContact O-N 2.76Å; E646-R649 PolarHBondContact O-N 3.12Å; E646-R649 IonicContact OE2-NH1 3.76Å; E646-R649 PolarHBondContact OE2-NH1 3.33Å; E647-R649 VanDerWaalsContact C-N 3.32Å; E647-R649 PolarHBondContact O-N 3.22Å; R649-L651 VanDerWaalsContact C-N 3.31Å; R649-L651 PolarHBondContact O-N 2.82Å; R649-I652 WeakPolarHBondContact O-CB 3.44Å; R649-I652 PolarHBondContact O-N 3.49Å; R649-V653 PolarHBondContact O-N 2.96Å
650	S	97.2	Very high	91.1	Very high	63 Å²	63	76.4 Å²	76.4	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-42.1	175.8	-58.9	0	0	0	0	110.9	E646 E647 T648 I652 V653 E654	E646-S650 PolarHBondContact O-N 3.47Å; E646-S650 PolarHBondContact O-OG 3.19Å; E647-S650 WeakPolarHBondContact O-CB 3.49Å; E647-S650 PolarHBondContact O-N 2.82Å; E647-S650 VanDerWaalsContact O-N 3.11Å; T648-S650 VanDerWaalsContact C-N 3.35Å; S650-I652 VanDerWaalsContact C-N 3.34Å; S650-I652 PolarHBondContact O-N 2.76Å; S650-V653 PolarHBondContact O-N 2.71Å; S650-E654 WeakPolarHBondContact O-CB 3.5Å; S650-E654 PolarHBondContact O-N 3.04Å
651	L	97.9	Very high	92.7	Very high	12 Å²	12	73 Å²	73	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-36.7	175.5	-65.4	-175.8	0	0	0	112.7	L549 H553 A626 E647 T648 R649 V653 E654 Y655	L549-L651 HydrophobicContact CD1-CD1 4.39Å; L549-L651 HydrophobicContact CD2-CD1 4.26Å; L549-L651 HydrophobicContact CG-CD1 4.16Å; H553-L651 VanDerWaalsContact ND1-CD2 3.31Å; H553-L651 WeakPolarHBondContact ND1-CD2 3.35Å; A626-L651 HydrophobicContact CB-CB 4.13Å; E647-L651 WeakPolarHBondContact O-CG 3.41Å; E647-L651 PolarHBondContact O-N 3.41Å; T648-L651 PolarHBondContact O-N 2.85Å; R649-L651 VanDerWaalsContact C-N 3.31Å; R649-L651 PolarHBondContact O-N 2.82Å; L651-V653 PolarHBondContact O-N 2.98Å; L651-E654 PolarHBondContact O-N 2.79Å; L651-Y655 HydrophobicContact CB-CD2 4.13Å; L651-Y655 HydrophobicContact CB-CE2 4.33Å; L651-Y655 HydrophobicContact CD2-CD2 4.47Å; L651-Y655 HydrophobicContact CD2-CE2 3.95Å; L651-Y655 WeakPolarHBondContact O-CB 3.44Å; L651-Y655 VanDerWaalsContact O-CD2 3.24Å; L651-Y655 WeakPolarHBondContact O-CD2 3.19Å; L651-Y655 PolarHBondContact O-N 2.74Å
652	I	98.5	Very high	94.2	Very high	35 Å²	35	72.1 Å²	72.1	18%	0.179	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-50.4	174.2	-64.1	165.8	0	0	0	109.9	A626 Y627 T630 T648 R649 S650 T656	A626-I652 HydrophobicContact CB-CG1 3.68Å; Y627-I652 HydrophobicContact CD2-CD1 4.3Å; T630-I652 HydrophobicContact CG2-CD1 4.32Å; T630-I652 WeakPolarHBondContact OG1-CD1 3.5Å; T648-I652 WeakPolarHBondContact O-CG1 3.35Å; T648-I652 PolarHBondContact O-N 2.9Å; R649-I652 WeakPolarHBondContact O-CB 3.44Å; R649-I652 PolarHBondContact O-N 3.49Å; S650-I652 VanDerWaalsContact C-N 3.34Å; S650-I652 PolarHBondContact O-N 2.76Å; I652-T656 WeakPolarHBondContact O-CB 3.48Å; I652-T656 PolarHBondContact O-N 3.21Å; I652-T656 PolarHBondContact O-OG1 2.76Å
653	V	98.4	Very high	95.2	Very high	107 Å²	107	64.4 Å²	64.4	65%	0.648	33%	0.327	S	S	*	.	H	α-helix	trans	-63.8	-46.5	-178	177.5	0	0	0	0	110.6	R649 S650 L651 R657	R649-V653 PolarHBondContact O-N 2.96Å; S650-V653 PolarHBondContact O-N 2.71Å; L651-V653 PolarHBondContact O-N 2.98Å; V653-R657 WeakPolarHBondContact O-CB 3.32Å; V653-R657 PolarHBondContact O-N 2.98Å; V653-R657 VanDerWaalsContact O-N 3.08Å
654	E	98.2	Very high	95.9	Very high	61 Å²	61	63.1 Å²	63.1	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-52.9	179.5	-175.1	-174.2	172.4	0	0	111.7	H553 Q557 S650 L651 R657 W658	H553-E654 IonicContact CE1-OE2 2.97Å; Q557-E654 PolarHBondContact NE2-OE1 3.39Å; Q557-E654 VanDerWaalsContact NE2-OE1 3.15Å; S650-E654 WeakPolarHBondContact O-CB 3.5Å; S650-E654 PolarHBondContact O-N 3.04Å; L651-E654 PolarHBondContact O-N 2.79Å; E654-R657 WeakPolarHBondContact O-CB 3.16Å; E654-R657 PolarHBondContact O-N 3.41Å; E654-W658 PolarHBondContact O-N 3.42Å
655	Y	98.7	Very high	96.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-75.7	-29.2	-174.9	-75.4	-61.2	0	0	0	113.4	H553 Y556 A619 M622 L651 R657 W658 A659	H553-Y655 WeakPolarHBondContact CA-OH 3.4Å; H553-Y655 HydrophobicContact CB-CE2 4.48Å; H553-Y655 AromaticContact ND1-CE2 3.66Å; H553-Y655 AromaticContact ND1-CZ 3.61Å; H553-Y655 PolarHBondContact ND1-OH 2.82Å; Y556-Y655 AromaticContact CD1-CE1 3.55Å; Y556-Y655 HydrophobicContact CD1-CE1 3.55Å; Y556-Y655 AromaticContact CD2-CE1 3.95Å; Y556-Y655 HydrophobicContact CD2-CE1 3.95Å; Y556-Y655 AromaticContact CE1-CE1 3.83Å; Y556-Y655 HydrophobicContact CE1-CE1 3.83Å; Y556-Y655 HydrophobicContact CE2-CE1 4.22Å; Y556-Y655 AromaticContact CG-CE1 3.62Å; Y556-Y655 HydrophobicContact CG-CE1 3.62Å; A619-Y655 HydrophobicContact CB-CD1 4.38Å; M622-Y655 HydrophobicContact CB-CD1 3.75Å; M622-Y655 HydrophobicContact CB-CD2 3.67Å; M622-Y655 HydrophobicContact CB-CE1 4.11Å; M622-Y655 HydrophobicContact CB-CE2 4.03Å; M622-Y655 HydrophobicContact CB-CG 3.52Å; M622-Y655 HydrophobicContact CE-CD2 4.01Å; M622-Y655 HydrophobicContact CE-CE2 3.32Å; M622-Y655 HydrophobicContact CG-CD1 4.33Å; M622-Y655 HydrophobicContact CG-CD2 4.47Å; M622-Y655 HydrophobicContact CG-CE1 4.23Å; M622-Y655 HydrophobicContact CG-CE2 4.35Å; M622-Y655 HydrophobicContact CG-CG 4.46Å; L651-Y655 HydrophobicContact CB-CD2 4.13Å; L651-Y655 HydrophobicContact CB-CE2 4.33Å; L651-Y655 HydrophobicContact CD2-CD2 4.47Å; L651-Y655 HydrophobicContact CD2-CE2 3.95Å; L651-Y655 WeakPolarHBondContact O-CB 3.44Å; L651-Y655 VanDerWaalsContact O-CD2 3.24Å; L651-Y655 WeakPolarHBondContact O-CD2 3.19Å; L651-Y655 PolarHBondContact O-N 2.74Å; Y655-R657 VanDerWaalsContact C-N 3.34Å; Y655-W658 PolarHBondContact O-N 3.38Å; Y655-A659 VanDerWaalsContact O-CB 3.27Å; Y655-A659 WeakPolarHBondContact O-CB 3.5Å; Y655-A659 PolarHBondContact O-N 3.33Å
656	T	98.7	Very high	96.9	Very high	56 Å²	56	62.1 Å²	62.1	34%	0.344	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-46.6	169.2	-57.4	0	0	0	0	109.8	I652 W658 A659 D660	I652-T656 WeakPolarHBondContact O-CB 3.48Å; I652-T656 PolarHBondContact O-N 3.21Å; I652-T656 PolarHBondContact O-OG1 2.76Å; T656-W658 PolarHBondContact O-N 3.46Å; T656-A659 PolarHBondContact O-N 2.99Å; T656-D660 VanDerWaalsContact O-CG 3.26Å; T656-D660 PolarHBondContact O-N 2.98Å
657	R	98.2	Very high	97.2	Very high	177 Å²	177	59.9 Å²	59.9	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-60.9	-44.6	177	-178.3	-179.1	177.9	-177.9	-0.5	112.3	V653 E654 Y655 D660 L661	V653-R657 WeakPolarHBondContact O-CB 3.32Å; V653-R657 PolarHBondContact O-N 2.98Å; V653-R657 VanDerWaalsContact O-N 3.08Å; E654-R657 WeakPolarHBondContact O-CB 3.16Å; E654-R657 PolarHBondContact O-N 3.41Å; Y655-R657 VanDerWaalsContact C-N 3.34Å; R657-D660 PolarHBondContact O-N 3.43Å; R657-L661 HydrophobicContact CG-CD1 3.97Å; R657-L661 HydrophobicContact CG-CG 4.44Å; R657-L661 WeakPolarHBondContact O-CB 3.32Å; R657-L661 VanDerWaalsContact O-CG 3.3Å; R657-L661 WeakPolarHBondContact O-CG 3.41Å; R657-L661 PolarHBondContact O-N 3.26Å
658	W	98.2	Very high	97.5	Very high	66 Å²	66	54.7 Å²	54.7	25%	0.25	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-42.7	176	-82.6	119.4	0	0	0	112.3	N560 L569 A619 E654 Y655 T656 D660 L661 L662	N560-W658 WeakPolarHBondContact ND2-CZ2 3.34Å; L569-W658 HydrophobicContact CD2-CZ3 4.07Å; A619-W658 HydrophobicContact CB-CB 3.84Å; E654-W658 PolarHBondContact O-N 3.42Å; Y655-W658 PolarHBondContact O-N 3.38Å; T656-W658 PolarHBondContact O-N 3.46Å; W658-D660 VanDerWaalsContact C-N 3.34Å; W658-D660 PolarHBondContact O-N 3.01Å; W658-L661 PolarHBondContact O-N 3.16Å; W658-L662 HydrophobicContact CE3-CD1 4.39Å; W658-L662 HydrophobicContact CE3-CG 4.41Å; W658-L662 VanDerWaalsContact O-CB 3.28Å; W658-L662 WeakPolarHBondContact O-CB 3.15Å; W658-L662 VanDerWaalsContact O-CG 3.26Å; W658-L662 WeakPolarHBondContact O-CG 3.28Å; W658-L662 PolarHBondContact O-N 2.89Å
659	A	98.2	Very high	97.6	Very high	11 Å²	11	55.7 Å²	55.7	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-43.5	176.7	0	0	0	0	0	111.3	A619 R620 Y655 T656 S663	A619-A659 HydrophobicContact CB-CB 4.04Å; R620-A659 HydrophobicContact CB-CB 4.23Å; Y655-A659 VanDerWaalsContact O-CB 3.27Å; Y655-A659 WeakPolarHBondContact O-CB 3.5Å; Y655-A659 PolarHBondContact O-N 3.33Å; T656-A659 PolarHBondContact O-N 2.99Å; A659-S663 WeakPolarHBondContact O-CB 3.32Å; A659-S663 PolarHBondContact O-N 3.28Å; A659-S663 PolarHBondContact O-OG 2.9Å
660	D	97.8	Very high	97.7	Very high	101 Å²	101	58 Å²	58	54%	0.54	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-50.1	177.5	-68.5	-19.2	0	0	0	111.5	T656 R657 W658 L662 S663 D664	T656-D660 VanDerWaalsContact O-CG 3.26Å; T656-D660 PolarHBondContact O-N 2.98Å; R657-D660 PolarHBondContact O-N 3.43Å; W658-D660 VanDerWaalsContact C-N 3.34Å; W658-D660 PolarHBondContact O-N 3.01Å; D660-L662 VanDerWaalsContact C-N 3.34Å; D660-L662 PolarHBondContact O-N 3.45Å; D660-S663 PolarHBondContact O-N 2.88Å; D660-S663 PolarHBondContact O-OG 2.9Å; D660-D664 PolarHBondContact O-N 3.07Å
661	L	97.6	Very high	97.8	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.366	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-40.8	179.1	-71.9	171.2	0	0	0	112.7	L569 R657 W658	L569-L661 HydrophobicContact CD2-CB 4.14Å; R657-L661 HydrophobicContact CG-CD1 3.97Å; R657-L661 HydrophobicContact CG-CG 4.44Å; R657-L661 WeakPolarHBondContact O-CB 3.32Å; R657-L661 VanDerWaalsContact O-CG 3.3Å; R657-L661 WeakPolarHBondContact O-CG 3.41Å; R657-L661 PolarHBondContact O-N 3.26Å; W658-L661 PolarHBondContact O-N 3.16Å
662	L	97.8	Very high	97.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-81.6	-19.5	-179.2	-65.5	174.8	0	0	0	113	L569 Y571 R612 M615 T616 W658 D660	L569-L662 HydrophobicContact CB-CD2 4.22Å; L569-L662 HydrophobicContact CD2-CD2 4.05Å; Y571-L662 HydrophobicContact CE2-CD1 4.37Å; Y571-L662 HydrophobicContact CE2-CD2 3.75Å; R612-L662 VanDerWaalsContact CZ-O 3.24Å; R612-L662 PolarHBondContact NH1-O 3.49Å; R612-L662 PolarHBondContact NH2-O 3.41Å; R612-L662 VanDerWaalsContact NH2-O 3.15Å; M615-L662 HydrophobicContact CB-CD1 4.08Å; T616-L662 HydrophobicContact CG2-CB 4.12Å; T616-L662 WeakPolarHBondContact OG1-CB 3.16Å; T616-L662 PolarHBondContact OG1-O 3.41Å; W658-L662 HydrophobicContact CE3-CD1 4.39Å; W658-L662 HydrophobicContact CE3-CG 4.41Å; W658-L662 VanDerWaalsContact O-CB 3.28Å; W658-L662 WeakPolarHBondContact O-CB 3.15Å; W658-L662 VanDerWaalsContact O-CG 3.26Å; W658-L662 WeakPolarHBondContact O-CG 3.28Å; W658-L662 PolarHBondContact O-N 2.89Å; D660-L662 VanDerWaalsContact C-N 3.34Å; D660-L662 PolarHBondContact O-N 3.45Å
663	S	96.5	Very high	97.8	Very high	47 Å²	47	54.4 Å²	54.4	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-92.8	-7.7	173.6	63.6	0	0	0	0	113.4	A659 D660 Q665	A659-S663 WeakPolarHBondContact O-CB 3.32Å; A659-S663 PolarHBondContact O-N 3.28Å; A659-S663 PolarHBondContact O-OG 2.9Å; D660-S663 PolarHBondContact O-N 2.88Å; D660-S663 PolarHBondContact O-OG 2.9Å; S663-Q665 PolarHBondContact O-N 2.97Å; S663-Q665 VanDerWaalsContact O-N 3.11Å
664	D	97.5	Very high	97.7	Very high	65 Å²	65	49.5 Å²	49.5	35%	0.348	25%	0.246	S	C	.	.			trans	-54.9	119.2	174.3	-176	-90.8	0	0	0	111	D660 S666 E667 L668	D660-D664 PolarHBondContact O-N 3.07Å; D664-S666 VanDerWaalsContact C-N 3.34Å; D664-S666 WeakPolarHBondContact OD1-CA 3.44Å; D664-S666 WeakPolarHBondContact OD1-CB 3.11Å; D664-S666 PolarHBondContact OD1-N 3.03Å; D664-S666 PolarHBondContact OD1-OG 3.04Å; D664-E667 PolarHBondContact OD1-N 3.15Å; D664-L668 WeakPolarHBondContact O-CB 3.26Å; D664-L668 PolarHBondContact O-N 2.88Å; D664-L668 VanDerWaalsContact O-N 3.08Å
665	Q	96.3	Very high	97.6	Very high	40 Å²	40	53 Å²	53	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-73.1	-30.4	-174	-161.3	-170.1	-68.7	0	0	111.6	S663 L668 D669 S743	S663-Q665 PolarHBondContact O-N 2.97Å; S663-Q665 VanDerWaalsContact O-N 3.11Å; Q665-L668 PolarHBondContact O-N 3.45Å; Q665-D669 PolarHBondContact NE2-OD2 3.37Å; Q665-D669 VanDerWaalsContact O-CB 3.29Å; Q665-D669 WeakPolarHBondContact O-CB 3.44Å; Q665-D669 PolarHBondContact O-N 2.98Å; Q665-S743 VanDerWaalsContact CD-OG 3.31Å; Q665-S743 PolarHBondContact NE2-OG 3.26Å; Q665-S743 PolarHBondContact OE1-OG 3.14Å
666	S	96.7	Very high	97.4	Very high	77 Å²	77	60.8 Å²	60.8	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-67.7	-41.3	-179.4	76.7	0	0	0	0	111.2	D664 K670	D664-S666 VanDerWaalsContact C-N 3.34Å; D664-S666 WeakPolarHBondContact OD1-CA 3.44Å; D664-S666 WeakPolarHBondContact OD1-CB 3.11Å; D664-S666 PolarHBondContact OD1-N 3.03Å; D664-S666 PolarHBondContact OD1-OG 3.04Å; S666-K670 WeakPolarHBondContact O-CB 3.32Å; S666-K670 PolarHBondContact O-N 2.94Å
667	E	97.1	Very high	97.3	Very high	53 Å²	53	61.3 Å²	61.3	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-72.2	-37	174.8	-72.2	-61.1	140.7	0	0	112	L569 D664 K670 L671	L569-E667 HydrophobicContact CD1-CB 4.4Å; L569-E667 HydrophobicContact CD1-CG 4.25Å; D664-E667 PolarHBondContact OD1-N 3.15Å; E667-K670 VanDerWaalsContact CD-NZ 3.35Å; E667-K670 IonicContact OE1-NZ 3.43Å; E667-K670 PolarHBondContact OE1-NZ 3.43Å; E667-K670 IonicContact OE2-NZ 2.7Å; E667-K670 PolarHBondContact OE2-NZ 3.13Å; E667-L671 WeakPolarHBondContact O-CB 3.48Å; E667-L671 VanDerWaalsContact O-CG 3.29Å; E667-L671 WeakPolarHBondContact O-CG 3.3Å; E667-L671 PolarHBondContact O-N 3.22Å; E667-L671 VanDerWaalsContact O-N 3.1Å
668	L	97.8	Very high	97.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-48.7	172	175.5	62.6	0	0	0	111.2	I609 D664 Q665 L671 H672 Y680 P733 V738 L739	I609-L668 HydrophobicContact CD1-CD1 4.22Å; I609-L668 HydrophobicContact CG1-CD1 4.27Å; D664-L668 WeakPolarHBondContact O-CB 3.26Å; D664-L668 PolarHBondContact O-N 2.88Å; D664-L668 VanDerWaalsContact O-N 3.08Å; Q665-L668 PolarHBondContact O-N 3.45Å; L668-L671 PolarHBondContact O-N 3.02Å; L668-H672 HydrophobicContact CD1-CB 4.34Å; L668-H672 PolarHBondContact O-N 3.02Å; L668-Y680 HydrophobicContact CD1-CD1 4.41Å; L668-Y680 HydrophobicContact CD1-CE1 4.33Å; L668-Y680 HydrophobicContact CD2-CE1 3.91Å; L668-Y680 HydrophobicContact CG-CD1 4.23Å; L668-Y680 HydrophobicContact CG-CE1 3.67Å; L668-P733 HydrophobicContact CD1-CG 4.38Å; L668-P733 HydrophobicContact CD2-CB 3.92Å; L668-P733 HydrophobicContact CD2-CG 4.09Å; L668-V738 HydrophobicContact CD2-CG1 4.4Å; L668-L739 HydrophobicContact CD2-CD2 3.95Å
669	D	97.6	Very high	97.1	Very high	29 Å²	29	51.1 Å²	51.1	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-46.8	-179.1	-73.6	0.4	0	0	0	110.3	Q665 L671 H672 W673 Y680 R745	Q665-D669 PolarHBondContact NE2-OD2 3.37Å; Q665-D669 VanDerWaalsContact O-CB 3.29Å; Q665-D669 WeakPolarHBondContact O-CB 3.44Å; Q665-D669 PolarHBondContact O-N 2.98Å; D669-L671 VanDerWaalsContact C-N 3.28Å; D669-L671 PolarHBondContact O-N 3.25Å; D669-H672 PolarHBondContact O-N 3.07Å; D669-W673 HydrophobicContact CB-CB 3.99Å; D669-W673 WeakPolarHBondContact O-CB 3.43Å; D669-W673 PolarHBondContact O-N 3.06Å; D669-Y680 WeakPolarHBondContact OD1-CE1 3.49Å; D669-Y680 VanDerWaalsContact OD1-CZ 3.3Å; D669-Y680 PolarHBondContact OD1-OH 2.64Å; D669-R745 IonicContact OD2-NE 3.44Å
670	K	97.6	Very high	97	Very high	146 Å²	146	50.7 Å²	50.7	64%	0.635	26%	0.256	S	S	*	.	H	α-helix	trans	-56.6	-38.7	176.9	173.7	-178.9	162.2	-152.9	0	113.6	S666 E667	S666-K670 WeakPolarHBondContact O-CB 3.32Å; S666-K670 PolarHBondContact O-N 2.94Å; E667-K670 VanDerWaalsContact CD-NZ 3.35Å; E667-K670 IonicContact OE1-NZ 3.43Å; E667-K670 PolarHBondContact OE1-NZ 3.43Å; E667-K670 IonicContact OE2-NZ 2.7Å; E667-K670 PolarHBondContact OE2-NZ 3.13Å
671	L	98	Very high	97.1	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-84.8	-32.3	-176	-70.1	176.2	0	0	0	113.5	V567 R607 E667 L668 D669	V567-L671 HydrophobicContact CG2-CD2 3.82Å; R607-L671 PolarHBondContact NH2-O 2.9Å; E667-L671 WeakPolarHBondContact O-CB 3.48Å; E667-L671 VanDerWaalsContact O-CG 3.29Å; E667-L671 WeakPolarHBondContact O-CG 3.3Å; E667-L671 PolarHBondContact O-N 3.22Å; E667-L671 VanDerWaalsContact O-N 3.1Å; L668-L671 PolarHBondContact O-N 3.02Å; D669-L671 VanDerWaalsContact C-N 3.28Å; D669-L671 PolarHBondContact O-N 3.25Å
672	H	98.4	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-135.6	-11.6	-163.1	-69.8	-72.1	0	0	0	115.8	I609 L668 D669 Y680 A681	I609-H672 HydrophobicContact CD1-CB 3.75Å; I609-H672 HydrophobicContact CG1-CB 4.21Å; L668-H672 HydrophobicContact CD1-CB 4.34Å; L668-H672 PolarHBondContact O-N 3.02Å; D669-H672 PolarHBondContact O-N 3.07Å; H672-Y680 HydrophobicContact CB-CD1 4.11Å; H672-Y680 CarbonylContact O-C 3.55Å; H672-Y680 VanDerWaalsContact O-CA 3.25Å; H672-Y680 WeakPolarHBondContact O-CA 3.18Å; H672-A681 WeakPolarHBondContact CB-O 3.47Å; H672-A681 PolarHBondContact ND1-O 2.98Å; H672-A681 PolarHBondContact O-N 3.3Å
673	W	98	Very high	97.2	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.7	-178.7	-178	-99.8	0	0	0	111.9	D669 E675 G678 Y680 L721 R745	D669-W673 HydrophobicContact CB-CB 3.99Å; D669-W673 WeakPolarHBondContact O-CB 3.43Å; D669-W673 PolarHBondContact O-N 3.06Å; W673-E675 VanDerWaalsContact NE1-CD 3.31Å; W673-E675 PolarHBondContact NE1-OE2 3.15Å; W673-G678 WeakPolarHBondContact CH2-O 3.49Å; W673-G678 WeakPolarHBondContact CZ2-O 3.29Å; W673-Y680 HydrophobicContact CB-CD1 4.12Å; W673-Y680 HydrophobicContact CB-CE1 3.98Å; W673-Y680 HydrophobicContact CD2-CE1 4.39Å; W673-Y680 AromaticContact CE3-CD1 3.77Å; W673-Y680 HydrophobicContact CE3-CD1 3.77Å; W673-Y680 AromaticContact CE3-CD2 3.82Å; W673-Y680 HydrophobicContact CE3-CD2 3.82Å; W673-Y680 AromaticContact CE3-CE1 3.61Å; W673-Y680 HydrophobicContact CE3-CE1 3.61Å; W673-Y680 AromaticContact CE3-CE2 3.68Å; W673-Y680 HydrophobicContact CE3-CE2 3.68Å; W673-Y680 AromaticContact CE3-CG 3.85Å; W673-Y680 HydrophobicContact CE3-CG 3.85Å; W673-Y680 AromaticContact CE3-CZ 3.55Å; W673-Y680 AromaticContact CZ3-CD2 3.89Å; W673-Y680 HydrophobicContact CZ3-CD2 3.89Å; W673-Y680 HydrophobicContact CZ3-CE1 4.47Å; W673-Y680 AromaticContact CZ3-CE2 3.72Å; W673-Y680 HydrophobicContact CZ3-CE2 3.72Å; W673-Y680 HydrophobicContact CZ3-CG 4.34Å; W673-L721 WeakPolarHBondContact O-CD1 3.43Å; W673-R745 HydrophobicContact CD2-CG 4.41Å; W673-R745 HydrophobicContact CE3-CG 4.16Å; W673-R745 HydrophobicContact CH2-CB 3.75Å; W673-R745 HydrophobicContact CH2-CG 3.84Å; W673-R745 HydrophobicContact CZ2-CB 4.47Å; W673-R745 VanDerWaalsContact CZ2-CD 3.48Å; W673-R745 HydrophobicContact CZ2-CG 4.12Å; W673-R745 HydrophobicContact CZ3-CB 3.79Å; W673-R745 HydrophobicContact CZ3-CG 3.86Å; W673-R745 VanDerWaalsContact NE1-NH1 3.18Å
674	S	97.8	Very high	97.3	Very high	5 Å²	5	43 Å²	43	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	108	170.1	176.4	0	0	0	0	109.8	K676 Q677 G678 H679 D723	S674-K676 PolarHBondContact O-N 3.24Å; S674-K676 PolarHBondContact OG-N 3.05Å; S674-Q677 PolarHBondContact O-N 3.01Å; S674-Q677 PolarHBondContact OG-N 2.94Å; S674-G678 WeakPolarHBondContact O-CA 3.37Å; S674-G678 PolarHBondContact O-N 3.42Å; S674-H679 WeakPolarHBondContact CB-O 3.33Å; S674-H679 PolarHBondContact N-O 3.12Å; S674-D723 PolarHBondContact OG-OD2 3.31Å
675	E	95.6	Very high	97.3	Very high	133 Å²	133	42.1 Å²	42.1	62%	0.621	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-26	171.3	-66.1	-64.6	-177.4	0	0	112.2	W673 R745	W673-E675 VanDerWaalsContact NE1-CD 3.31Å; W673-E675 PolarHBondContact NE1-OE2 3.15Å; E675-R745 IonicContact OE1-CZ 3.25Å; E675-R745 IonicContact OE1-NH1 2.82Å; E675-R745 IonicContact OE1-NH2 3.27Å; E675-R745 PolarHBondContact OE1-NH2 3.35Å; E675-R745 IonicContact OE2-CZ 3.76Å; E675-R745 IonicContact OE2-NH1 3.8Å; E675-R745 PolarHBondContact OE2-NH1 3.43Å; E675-R745 IonicContact OE2-NH2 3.94Å
676	K	95.1	Very high	97.4	Very high	164 Å²	164	40.3 Å²	40.3	71%	0.713	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-45.7	178.5	178.7	-173	171.6	-166.3	0	111.8	S674	S674-K676 PolarHBondContact O-N 3.24Å; S674-K676 PolarHBondContact OG-N 3.05Å
677	Q	94.9	Very high	97.3	Very high	67 Å²	67	37 Å²	37	31%	0.313	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-24.6	-174.9	-58.6	-68.9	-0.3	0	0	113	S674 H679 D723 R748	S674-Q677 PolarHBondContact O-N 3.01Å; S674-Q677 PolarHBondContact OG-N 2.94Å; Q677-H679 WeakPolarHBondContact CB-CE1 3.23Å; Q677-H679 WeakPolarHBondContact CB-NE2 3.46Å; Q677-D723 HydrophobicContact CB-CB 4.46Å; Q677-D723 HydrophobicContact CG-CB 3.81Å; Q677-D723 WeakPolarHBondContact CG-OD2 3.49Å; Q677-R748 PolarHBondContact O-NH2 2.94Å
678	G	95.6	Very high	97.1	Very high	10 Å²	10	36.6 Å²	36.6	10%	0.103	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	32.3	-177.4	0	0	0	0	0	113.5	W673 S674	W673-G678 WeakPolarHBondContact CH2-O 3.49Å; W673-G678 WeakPolarHBondContact CZ2-O 3.29Å; S674-G678 WeakPolarHBondContact O-CA 3.37Å; S674-G678 PolarHBondContact O-N 3.42Å
679	H	96.6	Very high	97	Very high	19 Å²	19	42 Å²	42	9%	0.088	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	164.5	174.2	54.7	-124.1	0	0	0	111.8	S674 Q677 D723 F726	S674-H679 WeakPolarHBondContact CB-O 3.33Å; S674-H679 PolarHBondContact N-O 3.12Å; Q677-H679 WeakPolarHBondContact CB-CE1 3.23Å; Q677-H679 WeakPolarHBondContact CB-NE2 3.46Å; H679-D723 PolarHBondContact CE1-O 3.47Å; H679-D723 PolarHBondContact NE2-O 2.9Å; H679-F726 HydrophobicContact CB-CD2 3.74Å; H679-F726 HydrophobicContact CB-CE2 3.71Å; H679-F726 AromaticContact CG-CD2 3.58Å; H679-F726 AromaticContact ND1-CD2 3.59Å; H679-F726 AromaticContact ND1-CG 3.86Å
680	Y	98.2	Very high	96.8	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	152.7	174	-66.3	-74.1	0	0	0	112.3	I609 L668 D669 H672 W673 N730 P733 L739	I609-Y680 HydrophobicContact CD1-CD1 4.08Å; I609-Y680 HydrophobicContact CD1-CG 3.88Å; L668-Y680 HydrophobicContact CD1-CD1 4.41Å; L668-Y680 HydrophobicContact CD1-CE1 4.33Å; L668-Y680 HydrophobicContact CD2-CE1 3.91Å; L668-Y680 HydrophobicContact CG-CD1 4.23Å; L668-Y680 HydrophobicContact CG-CE1 3.67Å; D669-Y680 WeakPolarHBondContact OD1-CE1 3.49Å; D669-Y680 VanDerWaalsContact OD1-CZ 3.3Å; D669-Y680 PolarHBondContact OD1-OH 2.64Å; H672-Y680 HydrophobicContact CB-CD1 4.11Å; H672-Y680 CarbonylContact O-C 3.55Å; H672-Y680 VanDerWaalsContact O-CA 3.25Å; H672-Y680 WeakPolarHBondContact O-CA 3.18Å; W673-Y680 HydrophobicContact CB-CD1 4.12Å; W673-Y680 HydrophobicContact CB-CE1 3.98Å; W673-Y680 HydrophobicContact CD2-CE1 4.39Å; W673-Y680 AromaticContact CE3-CD1 3.77Å; W673-Y680 HydrophobicContact CE3-CD1 3.77Å; W673-Y680 AromaticContact CE3-CD2 3.82Å; W673-Y680 HydrophobicContact CE3-CD2 3.82Å; W673-Y680 AromaticContact CE3-CE1 3.61Å; W673-Y680 HydrophobicContact CE3-CE1 3.61Å; W673-Y680 AromaticContact CE3-CE2 3.68Å; W673-Y680 HydrophobicContact CE3-CE2 3.68Å; W673-Y680 AromaticContact CE3-CG 3.85Å; W673-Y680 HydrophobicContact CE3-CG 3.85Å; W673-Y680 AromaticContact CE3-CZ 3.55Å; W673-Y680 AromaticContact CZ3-CD2 3.89Å; W673-Y680 HydrophobicContact CZ3-CD2 3.89Å; W673-Y680 HydrophobicContact CZ3-CE1 4.47Å; W673-Y680 AromaticContact CZ3-CE2 3.72Å; W673-Y680 HydrophobicContact CZ3-CE2 3.72Å; W673-Y680 HydrophobicContact CZ3-CG 4.34Å; Y680-N730 VanDerWaalsContact O-CB 3.26Å; Y680-N730 WeakPolarHBondContact O-CB 3.39Å; Y680-N730 PolarHBondContact O-ND2 3.49Å; Y680-P733 HydrophobicContact CD2-CB 4.24Å; Y680-P733 HydrophobicContact CD2-CG 3.86Å; Y680-P733 HydrophobicContact CE2-CB 4.19Å; Y680-P733 HydrophobicContact CE2-CG 4.25Å; Y680-P733 HydrophobicContact CG-CG 4.03Å; Y680-L739 HydrophobicContact CE2-CD1 4.18Å; Y680-L739 HydrophobicContact CE2-CD2 3.76Å; Y680-L739 VanDerWaalsContact OH-CD2 3.27Å; Y680-L739 WeakPolarHBondContact OH-CD2 3.42Å
681	A	98.4	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.185	C	C	.	.			trans	-151.9	157.8	-179	0	0	0	0	0	112.6	H672 L721 V722 D723	H672-A681 WeakPolarHBondContact CB-O 3.47Å; H672-A681 PolarHBondContact ND1-O 2.98Å; H672-A681 PolarHBondContact O-N 3.3Å; A681-L721 HydrophobicContact CB-CB 4.14Å; A681-L721 HydrophobicContact CB-CD2 4.3Å; A681-V722 WeakPolarHBondContact CB-O 3.35Å; A681-D723 HydrophobicContact CB-CB 4.06Å
682	D	98.6	Very high	96.4	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	163.8	163.2	-77.2	-10.9	0	0	0	110.5	R598 R607 H608 I609 L721 V722	R598-D682 WeakPolarHBondContact CD-OD2 3.43Å; R598-D682 IonicContact CZ-OD2 3.95Å; R598-D682 IonicContact NE-OD2 3.83Å; R598-D682 IonicContact NH1-OD1 3.29Å; R598-D682 IonicContact NH1-OD2 3.67Å; R598-D682 PolarHBondContact NH1-OD2 2.75Å; R607-D682 WeakPolarHBondContact O-CA 3.2Å; H608-D682 WeakPolarHBondContact CA-OD1 3.1Å; H608-D682 IonicContact CD2-OD2 2.86Å; H608-D682 PolarHBondContact CD2-OD2 2.8Å; I609-D682 WeakPolarHBondContact CG2-OD1 3.29Å; I609-D682 PolarHBondContact N-OD1 3.09Å; D682-L721 CarbonylContact O-C 3.13Å; D682-L721 VanDerWaalsContact O-CA 3.31Å; D682-L721 WeakPolarHBondContact O-CA 3.45Å; D682-V722 HydrophobicContact CB-CB 4.45Å; D682-V722 HydrophobicContact CB-CG2 4.46Å; D682-V722 PolarHBondContact O-N 2.8Å
683	Y	98.6	Very high	96.1	Very high	52 Å²	52	44.9 Å²	44.9	20%	0.204	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.4	173.8	-177.3	-92.2	0	0	0	110.6	E606 R607 L719 Q720 L721	E606-Y683 CarbonylContact C-O 3.5Å; E606-Y683 WeakPolarHBondContact CA-O 3.22Å; R607-Y683 HydrophobicContact CG-CD1 4.5Å; R607-Y683 PolarHBondContact N-O 3.05Å; R607-Y683 PolarHBondContact O-N 3.48Å; Y683-L719 HydrophobicContact CE1-CB 4.29Å; Y683-L719 HydrophobicContact CE1-CD2 4.26Å; Y683-L719 WeakPolarHBondContact OH-CB 3.39Å; Y683-Q720 WeakPolarHBondContact CA-O 3.15Å; Y683-Q720 VanDerWaalsContact CD2-C 3.42Å; Y683-Q720 WeakPolarHBondContact CD2-O 3.43Å; Y683-L721 HydrophobicContact CD2-CD2 4.15Å; Y683-L721 HydrophobicContact CD2-CG 4.32Å
684	G	98.3	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-171.5	170.8	0	0	0	0	0	113.3	H686 L719 Q720	G684-H686 PolarHBondContact O-N 3.07Å; G684-H686 VanDerWaalsContact O-N 3.15Å; G684-L719 WeakPolarHBondContact O-CA 3.21Å; G684-Q720 PolarHBondContact N-O 2.82Å; G684-Q720 PolarHBondContact O-N 3.23Å; G684-Q720 VanDerWaalsContact O-O 3.13Å
685	L	98.1	Very high	95	Very high	46 Å²	46	51.4 Å²	51.4	24%	0.241	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	102.1	177.9	-174.8	63.6	0	0	0	109.7	S600 H601 T603 P717 L719	S600-L685 PolarHBondContact N-O 2.84Å; H601-L685 HydrophobicContact CB-CB 4.26Å; H601-L685 HydrophobicContact CB-CD2 3.87Å; H601-L685 HydrophobicContact CB-CG 3.97Å; H601-L685 PolarHBondContact N-O 3.48Å; T603-L685 HydrophobicContact CG2-CB 4.04Å; T603-L685 HydrophobicContact CG2-CD2 3.85Å; L685-P717 HydrophobicContact CD1-CB 3.95Å; L685-P717 HydrophobicContact CD1-CG 4.1Å; L685-P717 HydrophobicContact CD2-CG 4.33Å; L685-P717 HydrophobicContact CG-CB 3.91Å; L685-P717 HydrophobicContact CG-CG 3.99Å; L685-L719 HydrophobicContact CB-CD2 4.05Å
686	H	97.7	Very high	94.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.1	-166.3	-176.1	74.6	0	0	0	113.5	A599 S600 G684 D688 P717 S718 Q720 V722	A599-H686 HydrophobicContact CB-CB 4.39Å; S600-H686 PolarHBondContact N-ND1 2.84Å; S600-H686 VanDerWaalsContact N-ND1 3.18Å; G684-H686 PolarHBondContact O-N 3.07Å; G684-H686 VanDerWaalsContact O-N 3.15Å; H686-D688 IonicContact CE1-OD1 3.25Å; H686-D688 IonicContact NE2-OD1 3.7Å; H686-D688 PolarHBondContact NE2-OD1 2.98Å; H686-D688 IonicContact NE2-OD2 2.8Å; H686-P717 WeakPolarHBondContact O-CA 3.32Å; H686-S718 PolarHBondContact N-O 2.83Å; H686-S718 PolarHBondContact O-N 3.16Å; H686-Q720 HydrophobicContact CB-CG 4.17Å; H686-Q720 PolarHBondContact O-NE2 2.8Å; H686-V722 HydrophobicContact CB-CG2 3.97Å
687	T	96.3	Very high	92.9	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.037	25%	0.245	C	C	.	.			trans	-158.4	135.7	168.8	-179.8	0	0	0	0	106.9	S600 F689 V690 A713 K715 P717	S600-T687 PolarHBondContact OG-N 3.32Å; S600-T687 PolarHBondContact OG-O 2.93Å; S600-T687 VanDerWaalsContact OG-O 3.11Å; T687-F689 PolarHBondContact OG1-N 2.96Å; T687-V690 HydrophobicContact CG2-CG1 3.98Å; T687-A713 HydrophobicContact CG2-CB 4.31Å; T687-K715 WeakPolarHBondContact CG2-O 3.36Å; T687-K715 PolarHBondContact OG1-O 2.73Å; T687-P717 HydrophobicContact CG2-CB 3.91Å
688	D	93.1	Very high	91.6	Very high	45 Å²	45	50.8 Å²	50.8	24%	0.241	26%	0.257	C	S	.	.	S	Bend	trans	-74.6	-16.7	173	-64.4	-67.6	0	0	0	112.5	H686 V690 T724	H686-D688 IonicContact CE1-OD1 3.25Å; H686-D688 IonicContact NE2-OD1 3.7Å; H686-D688 PolarHBondContact NE2-OD1 2.98Å; H686-D688 IonicContact NE2-OD2 2.8Å; D688-V690 PolarHBondContact O-N 3.02Å; D688-T724 WeakPolarHBondContact OD1-CB 3.07Å; D688-T724 PolarHBondContact OD1-OG1 3.08Å; D688-T724 WeakPolarHBondContact OD2-CG2 3.33Å
689	F	94.9	Very high	89.6	Confident	115 Å²	115	60.7 Å²	60.7	50%	0.504	30%	0.298	S	S	.	.			trans	-84.8	56.6	-173.4	-57.1	-85.7	0	0	0	111.3	T687 V714 K715	T687-F689 PolarHBondContact OG1-N 2.96Å; F689-V714 HydrophobicContact CB-CB 4.18Å; F689-V714 PolarHBondContact O-N 3.25Å; F689-K715 HydrophobicContact CB-CB 3.84Å; F689-K715 HydrophobicContact CD2-CB 3.84Å; F689-K715 HydrophobicContact CD2-CD 3.74Å; F689-K715 HydrophobicContact CD2-CG 4.42Å; F689-K715 HydrophobicContact CE2-CD 3.89Å; F689-K715 HydrophobicContact CG-CB 4.02Å
690	V	93.9	Very high	88.1	Confident	18 Å²	18	63.5 Å²	63.5	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.8	173.7	-65.6	0	0	0	0	110.5	L584 T687 D688 R711 V712 A713 F774	L584-V690 HydrophobicContact CD1-CB 4.46Å; L584-V690 HydrophobicContact CD1-CG2 3.99Å; L584-V690 HydrophobicContact CG-CG2 4.41Å; T687-V690 HydrophobicContact CG2-CG1 3.98Å; D688-V690 PolarHBondContact O-N 3.02Å; V690-R711 HydrophobicContact CB-CG 4.34Å; V690-V712 WeakPolarHBondContact CA-O 3.47Å; V690-A713 HydrophobicContact CG1-CB 4.39Å; V690-F774 HydrophobicContact CG2-CZ 4.28Å
691	R	93.2	Very high	86.3	Confident	127 Å²	127	66.4 Å²	66.4	48%	0.479	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.9	173.9	59.7	179.7	-178.1	171.5	9.6	110.8	E693 R711 V712 V714	R691-E693 HydrophobicContact CG-CG 3.83Å; R691-E693 IonicContact CZ-OE1 3.41Å; R691-E693 IonicContact CZ-OE2 2.83Å; R691-E693 VanDerWaalsContact CZ-OE2 3.25Å; R691-E693 IonicContact NE-OE1 2.67Å; R691-E693 PolarHBondContact NE-OE1 3.17Å; R691-E693 IonicContact NE-OE2 3.63Å; R691-E693 PolarHBondContact NE-OE2 2.91Å; R691-E693 IonicContact NH1-OE1 3.52Å; R691-E693 PolarHBondContact NH1-OE1 3.44Å; R691-E693 IonicContact NH2-OE1 3.6Å; R691-E693 PolarHBondContact NH2-OE1 3.3Å; R691-E693 IonicContact NH2-OE2 3.52Å; R691-E693 PolarHBondContact NH2-OE2 3.2Å; R691-R711 CarbonylContact O-C 3.55Å; R691-R711 WeakPolarHBondContact O-CA 3.4Å; R691-V712 PolarHBondContact N-O 2.72Å; R691-V712 PolarHBondContact O-N 2.65Å; R691-V714 HydrophobicContact CG-CG2 4.16Å
692	L	92.6	Very high	84.2	Confident	42 Å²	42	75.8 Å²	75.8	22%	0.22	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.7	172.5	-71.3	177.8	0	0	0	109.5	H582 L584 L709 R711	H582-L692 WeakPolarHBondContact O-CD2 3.18Å; L584-L692 HydrophobicContact CB-CD1 4.23Å; L584-L692 HydrophobicContact CB-CG 4.17Å; L584-L692 HydrophobicContact CD1-CG 4.26Å; L692-L709 HydrophobicContact CB-CB 4.07Å; L692-L709 HydrophobicContact CB-CD1 4.24Å; L692-R711 HydrophobicContact CD2-CB 4Å
693	E	91.9	Very high	82.2	Confident	63 Å²	63	79.1 Å²	79.1	29%	0.294	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.3	-179.5	-50.5	-154.6	99	0	0	111.2	R691 L709 V710 V712	R691-E693 HydrophobicContact CG-CG 3.83Å; R691-E693 IonicContact CZ-OE1 3.41Å; R691-E693 IonicContact CZ-OE2 2.83Å; R691-E693 VanDerWaalsContact CZ-OE2 3.25Å; R691-E693 IonicContact NE-OE1 2.67Å; R691-E693 PolarHBondContact NE-OE1 3.17Å; R691-E693 IonicContact NE-OE2 3.63Å; R691-E693 PolarHBondContact NE-OE2 2.91Å; R691-E693 IonicContact NH1-OE1 3.52Å; R691-E693 PolarHBondContact NH1-OE1 3.44Å; R691-E693 IonicContact NH2-OE1 3.6Å; R691-E693 PolarHBondContact NH2-OE1 3.3Å; R691-E693 IonicContact NH2-OE2 3.52Å; R691-E693 PolarHBondContact NH2-OE2 3.2Å; E693-L709 VanDerWaalsContact C-CD2 3.49Å; E693-L709 CarbonylContact O-C 3.59Å; E693-L709 WeakPolarHBondContact O-CA 3.44Å; E693-V710 PolarHBondContact N-O 2.85Å; E693-V710 PolarHBondContact O-N 2.76Å; E693-V712 HydrophobicContact CB-CG2 4.32Å; E693-V712 HydrophobicContact CG-CG2 4.28Å
694	M	88.5	Confident	80.1	Confident	108 Å²	108	82.2 Å²	82.2	53%	0.532	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-73.1	131.3	170.1	-78.4	-64.3	-96	0	0	109	M707 L709	M694-M707 HydrophobicContact CE-CB 3.62Å; M694-M707 HydrophobicContact SD-CB 4.43Å; M694-L709 HydrophobicContact CB-CD2 4.43Å; M694-L709 HydrophobicContact CG-CD2 3.66Å; M694-L709 HydrophobicContact SD-CD2 3.79Å; M694-L709 HydrophobicContact SD-CG 4.31Å
695	P	84.8	Confident	78.1	Confident	54 Å²	54	88.4 Å²	88.4	35%	0.351	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-65.5	145.1	176.5	26.1	-32	0	0	0	111.1	I697 V710	P695-I697 PolarHBondContact O-N 3.05Å; P695-V710 HydrophobicContact CB-CG2 4.35Å; P695-V710 HydrophobicContact CG-CG2 4.11Å
696	D	79.2	Confident	76.5	Confident	162 Å²	162	93.9 Å²	93.9	87%	0.866	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-61.7	126	176.5	-74.1	-38.3	0	0	0	110.8	P698	D696-P698 WeakPolarHBondContact O-CD 3.44Å
697	I	68.8	Low	75.2	Confident	102 Å²	102	96.6 Å²	96.6	52%	0.523	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-80.3	120.6	176.9	-44.1	-169.5	0	0	0	108.4	P695 K699 M707	P695-I697 PolarHBondContact O-N 3.05Å; I697-K699 PolarHBondContact O-N 2.84Å; I697-M707 HydrophobicContact CB-CE 4.16Å; I697-M707 HydrophobicContact CD1-CE 3.76Å; I697-M707 HydrophobicContact CD1-SD 3.75Å; I697-M707 HydrophobicContact CG1-CE 3.59Å; I697-M707 HydrophobicContact CG1-SD 3.72Å; I697-M707 HydrophobicContact CG2-CE 3.88Å
698	P	65.7	Low	74.6	Confident	87 Å²	87	103.1 Å²	103.1	57%	0.565	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-60	127.2	171.1	-17.4	29.5	0	0	0	109.2	D696 G700 S701	D696-P698 WeakPolarHBondContact O-CD 3.44Å; P698-G700 PolarHBondContact O-N 3.16Å; P698-G700 VanDerWaalsContact O-N 3.09Å; P698-S701 PolarHBondContact O-N 3.29Å; P698-S701 PolarHBondContact O-OG 3.06Å
699	K	55	Low	74.4	Confident	219 Å²	219	103.4 Å²	103.4	95%	0.952	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	118	177.6	-72.6	-176.7	177.5	179	0	109.5	I697	I697-K699 PolarHBondContact O-N 2.84Å
700	G	64.5	Low	74.3	Confident	78 Å²	78	99.4 Å²	99.4	80%	0.804	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.7	-5.9	178.8	0	0	0	0	0	115.8	P698	P698-G700 PolarHBondContact O-N 3.16Å; P698-G700 VanDerWaalsContact O-N 3.09Å
701	S	60.6	Low	74.3	Confident	62 Å²	62	99.9 Å²	99.9	43%	0.434	53%	0.53	S	S	.	.			trans	-87.9	115.1	180	-56.1	0	0	0	0	112.2	P698 V703	P698-S701 PolarHBondContact O-N 3.29Å; P698-S701 PolarHBondContact O-OG 3.06Å; S701-V703 PolarHBondContact O-N 2.68Å; S701-V703 VanDerWaalsContact O-N 3.16Å
702	H	54.8	Low	74.3	Confident	197 Å²	197	96.7 Å²	96.7	91%	0.912	53%	0.525	S	S	*	.			trans	-77.1	93.5	165.5	-74.6	-68.5	0	0	0	109.4	S704	H702-S704 PolarHBondContact O-N 3.14Å
703	V	55.5	Low	74.3	Confident	76 Å²	76	96.5 Å²	96.5	46%	0.461	53%	0.529	S	S	.	.			trans	-86.7	110.6	177.8	-172.4	0	0	0	0	109	S701 M707	S701-V703 PolarHBondContact O-N 2.68Å; S701-V703 VanDerWaalsContact O-N 3.16Å; V703-M707 HydrophobicContact CB-CE 3.81Å; V703-M707 HydrophobicContact CG1-CE 3.91Å; V703-M707 HydrophobicContact CG1-CG 4.2Å; V703-M707 HydrophobicContact CG2-CE 3.47Å; V703-M707 VanDerWaalsContact CG2-CE 3.47Å
704	S	55.3	Low	74.4	Confident	118 Å²	118	98 Å²	98	83%	0.825	54%	0.542	S	S	*	.			trans	-87.4	-4.2	-178.4	65.3	0	0	0	0	114.4	H702	H702-S704 PolarHBondContact O-N 3.14Å
705	N	56.7	Low	74.6	Confident	129 Å²	129	99 Å²	99	69%	0.69	54%	0.544	S	S	*	.	S	Bend	trans	-104.6	140.9	175.8	-80.3	-12.3	0	0	0	110.4	M707	N705-M707 PolarHBondContact O-N 3.13Å
706	E	63.1	Low	75.1	Confident	161 Å²	161	102.3 Å²	102.3	75%	0.752	56%	0.563	S	S	*	*			trans	-50.8	108.8	171.2	-79.4	-179.7	140.2	0	0	109.3	R12 K708	R12-E706 IonicContact NH2-OE2 3.04Å; E706-K708 PolarHBondContact O-N 2.96Å
707	M	70.6	Confident	75.9	Confident	59 Å²	59	95.9 Å²	95.9	29%	0.291	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-61	128.6	174	-80.1	-170	-179.9	0	0	109.4	M694 I697 V703 N705	M694-M707 HydrophobicContact CE-CB 3.62Å; M694-M707 HydrophobicContact SD-CB 4.43Å; I697-M707 HydrophobicContact CB-CE 4.16Å; I697-M707 HydrophobicContact CD1-CE 3.76Å; I697-M707 HydrophobicContact CD1-SD 3.75Å; I697-M707 HydrophobicContact CG1-CE 3.59Å; I697-M707 HydrophobicContact CG1-SD 3.72Å; I697-M707 HydrophobicContact CG2-CE 3.88Å; V703-M707 HydrophobicContact CB-CE 3.81Å; V703-M707 HydrophobicContact CG1-CE 3.91Å; V703-M707 HydrophobicContact CG1-CG 4.2Å; V703-M707 HydrophobicContact CG2-CE 3.47Å; V703-M707 VanDerWaalsContact CG2-CE 3.47Å; N705-M707 PolarHBondContact O-N 3.13Å
708	K	83.5	Confident	77.3	Confident	143 Å²	143	94 Å²	94	62%	0.622	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-95.9	147.3	175.8	-65.6	-175.1	179.2	-176.1	0	109.9	E706	E706-K708 PolarHBondContact O-N 2.96Å
709	L	90.2	Very high	78.9	Confident	51 Å²	51	93.6 Å²	93.6	27%	0.267	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-59.1	145.6	171.4	-66.3	167.5	0	0	0	110.3	H582 L692 E693 M694 K781	H582-L709 PolarHBondContact ND1-O 3.08Å; L692-L709 HydrophobicContact CB-CB 4.07Å; L692-L709 HydrophobicContact CB-CD1 4.24Å; E693-L709 VanDerWaalsContact C-CD2 3.49Å; E693-L709 CarbonylContact O-C 3.59Å; E693-L709 WeakPolarHBondContact O-CA 3.44Å; M694-L709 HydrophobicContact CB-CD2 4.43Å; M694-L709 HydrophobicContact CG-CD2 3.66Å; M694-L709 HydrophobicContact SD-CD2 3.79Å; M694-L709 HydrophobicContact SD-CG 4.31Å; L709-K781 HydrophobicContact CD1-CB 4.5Å
710	V	92.1	Very high	80.9	Confident	31 Å²	31	86.5 Å²	86.5	19%	0.188	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.6	179	-177.6	0	0	0	0	108.7	I581 E693 P695	I581-V710 HydrophobicContact CB-CG1 3.97Å; I581-V710 HydrophobicContact CD1-CG1 3.84Å; I581-V710 HydrophobicContact CD1-CG2 4.4Å; I581-V710 HydrophobicContact CG1-CG1 4.04Å; I581-V710 CarbonylContact O-C 3.56Å; I581-V710 WeakPolarHBondContact O-CA 3.42Å; E693-V710 PolarHBondContact N-O 2.85Å; E693-V710 PolarHBondContact O-N 2.76Å; P695-V710 HydrophobicContact CB-CG2 4.35Å; P695-V710 HydrophobicContact CG-CG2 4.11Å
711	R	93.4	Very high	82.5	Confident	29 Å²	29	84.4 Å²	84.4	11%	0.109	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.7	176	177.7	-177.4	57.8	176.2	0.7	109.9	E580 I581 Q583 L584 S600 V690 R691 L692	E580-R711 PolarHBondContact O-NH2 2.62Å; E580-R711 VanDerWaalsContact O-NH2 3.1Å; I581-R711 VanDerWaalsContact O-CB 3.3Å; I581-R711 WeakPolarHBondContact O-CB 3.44Å; I581-R711 PolarHBondContact O-N 3.07Å; Q583-R711 VanDerWaalsContact O-CD 3.25Å; Q583-R711 WeakPolarHBondContact O-CD 3.32Å; L584-R711 WeakPolarHBondContact O-CD 3.06Å; S600-R711 PolarHBondContact O-NH1 3.08Å; V690-R711 HydrophobicContact CB-CG 4.34Å; R691-R711 CarbonylContact O-C 3.55Å; R691-R711 WeakPolarHBondContact O-CA 3.4Å; L692-R711 HydrophobicContact CD2-CB 4Å
712	V	93	Very high	84.3	Confident	59 Å²	59	81.7 Å²	81.7	36%	0.358	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.8	175	-175.5	0	0	0	0	108.9	V690 R691 E693	V690-V712 WeakPolarHBondContact CA-O 3.47Å; R691-V712 PolarHBondContact N-O 2.72Å; R691-V712 PolarHBondContact O-N 2.65Å; E693-V712 HydrophobicContact CB-CG2 4.32Å; E693-V712 HydrophobicContact CG-CG2 4.28Å
713	A	93.4	Very high	86.2	Confident	38 Å²	38	73.1 Å²	73.1	31%	0.314	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	110.9	170.8	0	0	0	0	0	109.2	T687 V690 K715	T687-A713 HydrophobicContact CG2-CB 4.31Å; V690-A713 HydrophobicContact CG1-CB 4.39Å; A713-K715 VanDerWaalsContact C-N 3.32Å
714	V	92.8	Very high	88	Confident	95 Å²	95	71.1 Å²	71.1	58%	0.576	39%	0.389	S	S	*	.	S	Bend	trans	-70.6	-32.7	178.8	-179	0	0	0	0	111	F689 R691	F689-V714 HydrophobicContact CB-CB 4.18Å; F689-V714 PolarHBondContact O-N 3.25Å; R691-V714 HydrophobicContact CG-CG2 4.16Å
715	K	93.7	Very high	89.7	Confident	129 Å²	129	65.6 Å²	65.6	56%	0.561	35%	0.35	S	S	*	.	S	Bend	trans	-119.1	135.5	173.5	-173.9	-178.7	179.4	-178.9	0	109.3	T687 F689 A713	T687-K715 WeakPolarHBondContact CG2-O 3.36Å; T687-K715 PolarHBondContact OG1-O 2.73Å; F689-K715 HydrophobicContact CB-CB 3.84Å; F689-K715 HydrophobicContact CD2-CB 3.84Å; F689-K715 HydrophobicContact CD2-CD 3.74Å; F689-K715 HydrophobicContact CD2-CG 4.42Å; F689-K715 HydrophobicContact CE2-CD 3.89Å; F689-K715 HydrophobicContact CG-CB 4.02Å; A713-K715 VanDerWaalsContact C-N 3.32Å
716	T	95.4	Very high	91.6	Very high	123 Å²	123	59.8 Å²	59.8	76%	0.755	32%	0.319	S	S	*	.			trans	-54.5	130.4	176.4	-48.7	0	0	0	0	110.9
717	P	96.9	Very high	93.3	Very high	27 Å²	27	52.1 Å²	52.1	18%	0.175	28%	0.283	C	S	.	.			trans	-70.7	153.7	177	33	-38.3	0	0	0	111.9	L685 H686 T687	L685-P717 HydrophobicContact CD1-CB 3.95Å; L685-P717 HydrophobicContact CD1-CG 4.1Å; L685-P717 HydrophobicContact CD2-CG 4.33Å; L685-P717 HydrophobicContact CG-CB 3.91Å; L685-P717 HydrophobicContact CG-CG 3.99Å; H686-P717 WeakPolarHBondContact O-CA 3.32Å; T687-P717 HydrophobicContact CG2-CB 3.91Å
718	S	97.7	Very high	94.6	Very high	62 Å²	62	49.3 Å²	49.3	43%	0.434	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.3	173.9	56	0	0	0	0	110.3	H686 Q720	H686-S718 PolarHBondContact N-O 2.83Å; H686-S718 PolarHBondContact O-N 3.16Å; S718-Q720 WeakPolarHBondContact O-CG 3.34Å; S718-Q720 PolarHBondContact O-N 3.21Å; S718-Q720 PolarHBondContact OG-NE2 3.21Å
719	L	98.3	Very high	95.3	Very high	79 Å²	79	42.6 Å²	42.6	41%	0.414	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	113.3	172.7	-71.7	175	0	0	0	109.7	D605 Y683 G684 L685	D605-L719 HydrophobicContact CB-CD2 3.75Å; Y683-L719 HydrophobicContact CE1-CB 4.29Å; Y683-L719 HydrophobicContact CE1-CD2 4.26Å; Y683-L719 WeakPolarHBondContact OH-CB 3.39Å; G684-L719 WeakPolarHBondContact O-CA 3.21Å; L685-L719 HydrophobicContact CB-CD2 4.05Å
720	Q	97.8	Very high	95.7	Very high	70 Å²	70	40.3 Å²	40.3	33%	0.327	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	170.1	-176.2	65.5	-171.3	-45.5	0	0	111.7	Y683 G684 H686 S718	Y683-Q720 WeakPolarHBondContact CA-O 3.15Å; Y683-Q720 VanDerWaalsContact CD2-C 3.42Å; Y683-Q720 WeakPolarHBondContact CD2-O 3.43Å; G684-Q720 PolarHBondContact N-O 2.82Å; G684-Q720 PolarHBondContact O-N 3.23Å; G684-Q720 VanDerWaalsContact O-O 3.13Å; H686-Q720 HydrophobicContact CB-CG 4.17Å; H686-Q720 PolarHBondContact O-NE2 2.8Å; S718-Q720 WeakPolarHBondContact O-CG 3.34Å; S718-Q720 PolarHBondContact O-N 3.21Å; S718-Q720 PolarHBondContact OG-NE2 3.21Å
721	L	98.2	Very high	96	Very high	35 Å²	35	38.9 Å²	38.9	18%	0.183	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.2	166.8	-70.4	170.3	0	0	0	109.9	W673 A681 D682 Y683 D723	W673-L721 WeakPolarHBondContact O-CD1 3.43Å; A681-L721 HydrophobicContact CB-CB 4.14Å; A681-L721 HydrophobicContact CB-CD2 4.3Å; D682-L721 CarbonylContact O-C 3.13Å; D682-L721 VanDerWaalsContact O-CA 3.31Å; D682-L721 WeakPolarHBondContact O-CA 3.45Å; Y683-L721 HydrophobicContact CD2-CD2 4.15Å; Y683-L721 HydrophobicContact CD2-CG 4.32Å; L721-D723 VanDerWaalsContact C-N 3.26Å; L721-D723 HydrophobicContact CB-CB 4.37Å; L721-D723 PolarHBondContact O-N 3.08Å; L721-D723 VanDerWaalsContact O-N 3.07Å
722	V	97.3	Very high	96.2	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	72.2	176	-171.7	0	0	0	0	108.3	A599 A681 D682 H686	A599-V722 HydrophobicContact CB-CG2 4.18Å; A681-V722 WeakPolarHBondContact CB-O 3.35Å; D682-V722 HydrophobicContact CB-CB 4.45Å; D682-V722 HydrophobicContact CB-CG2 4.46Å; D682-V722 PolarHBondContact O-N 2.8Å; H686-V722 HydrophobicContact CB-CG2 3.97Å
723	D	95.3	Very high	96.5	Very high	16 Å²	16	34.7 Å²	34.7	9%	0.086	20%	0.197	C	C	.	.			trans	-101.6	1.4	-165.2	72.3	9.1	0	0	0	115.1	S674 Q677 H679 A681 L721	S674-D723 PolarHBondContact OG-OD2 3.31Å; Q677-D723 HydrophobicContact CB-CB 4.46Å; Q677-D723 HydrophobicContact CG-CB 3.81Å; Q677-D723 WeakPolarHBondContact CG-OD2 3.49Å; H679-D723 PolarHBondContact CE1-O 3.47Å; H679-D723 PolarHBondContact NE2-O 2.9Å; A681-D723 HydrophobicContact CB-CB 4.06Å; L721-D723 VanDerWaalsContact C-N 3.26Å; L721-D723 HydrophobicContact CB-CB 4.37Å; L721-D723 PolarHBondContact O-N 3.08Å; L721-D723 VanDerWaalsContact O-N 3.07Å
724	T	92.9	Very high	96.7	Very high	35 Å²	35	32.9 Å²	32.9	22%	0.215	18%	0.182	C	C	.	.	S	Bend	trans	-83.9	-19.4	177.3	55.8	0	0	0	0	113.7	D688	D688-T724 WeakPolarHBondContact OD1-CB 3.07Å; D688-T724 PolarHBondContact OD1-OG1 3.08Å; D688-T724 WeakPolarHBondContact OD2-CG2 3.33Å
725	S	92.3	Very high	97	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	16%	0.156	C	C	.	.			trans	-108.7	56.8	-172.4	-69.3	0	0	0	0	112.3	G727 N730 S772 F774	S725-G727 PolarHBondContact O-N 3.46Å; S725-N730 PolarHBondContact O-OD1 2.81Å; S725-N730 VanDerWaalsContact O-OD1 3.1Å; S725-S772 PolarHBondContact OG-OG 3.03Å; S725-F774 WeakPolarHBondContact OG-CD2 3.45Å
726	F	96.4	Very high	97.2	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.035	13%	0.13	C	C	.	.			trans	-60.1	128.7	176	-176.9	-114.4	0	0	0	111.7	H679 N730 L731 D752 L759 N769	H679-F726 HydrophobicContact CB-CD2 3.74Å; H679-F726 HydrophobicContact CB-CE2 3.71Å; H679-F726 AromaticContact CG-CD2 3.58Å; H679-F726 AromaticContact ND1-CD2 3.59Å; H679-F726 AromaticContact ND1-CG 3.86Å; F726-N730 WeakPolarHBondContact CA-OD1 3.21Å; F726-N730 HydrophobicContact CD2-CB 3.57Å; F726-N730 HydrophobicContact CE2-CB 3.82Å; F726-L731 HydrophobicContact CE2-CD2 4.17Å; F726-L731 HydrophobicContact CZ-CD2 3.81Å; F726-D752 HydrophobicContact CE1-CB 3.95Å; F726-D752 HydrophobicContact CZ-CB 4.06Å; F726-L759 HydrophobicContact CD1-CD1 3.92Å; F726-L759 HydrophobicContact CD1-CD2 4.36Å; F726-L759 HydrophobicContact CD1-CG 4.04Å; F726-L759 HydrophobicContact CE1-CD1 3.42Å; F726-L759 VanDerWaalsContact CE1-CD1 3.42Å; F726-L759 HydrophobicContact CE1-CG 3.84Å; F726-L759 HydrophobicContact CZ-CD1 3.98Å; F726-N769 HydrophobicContact CD1-CB 4.43Å; F726-N769 PolarHBondContact N-ND2 2.68Å; F726-N769 VanDerWaalsContact N-ND2 3.14Å; F726-N769 VanDerWaalsContact O-CB 3.3Å; F726-N769 WeakPolarHBondContact O-CB 3.42Å; F726-N769 PolarHBondContact O-N 2.82Å; F726-N769 PolarHBondContact O-ND2 2.67Å
727	G	97.8	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-176.6	-156.9	-174.7	0	0	0	0	0	112.3	S725 V729 N730 L731 S767	S725-G727 PolarHBondContact O-N 3.46Å; G727-V729 PolarHBondContact O-N 2.82Å; G727-N730 PolarHBondContact N-OD1 3.03Å; G727-N730 WeakPolarHBondContact O-CB 3.41Å; G727-N730 PolarHBondContact O-N 3.21Å; G727-N730 VanDerWaalsContact O-N 3.15Å; G727-N730 PolarHBondContact O-OD1 3.29Å; G727-L731 PolarHBondContact O-N 3.01Å; G727-S767 CarbonylContact C-O 3.59Å; G727-S767 WeakPolarHBondContact CA-O 3.38Å
728	Y	98.5	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-45.4	-176.3	-70.9	-12.1	0	0	0	114	L593 N730 L731 F732 L765 R766 S767 W787 W792 I795 N796	L593-Y728 HydrophobicContact CD2-CD2 4.46Å; Y728-N730 VanDerWaalsContact C-N 3.26Å; Y728-N730 PolarHBondContact O-N 2.84Å; Y728-L731 WeakPolarHBondContact O-CB 3.42Å; Y728-L731 PolarHBondContact O-N 3.37Å; Y728-F732 VanDerWaalsContact O-CD2 3.26Å; Y728-F732 WeakPolarHBondContact O-CD2 3.47Å; Y728-L765 HydrophobicContact CE1-CB 4.21Å; Y728-L765 PolarHBondContact OH-O 3.26Å; Y728-R766 WeakPolarHBondContact CD1-O 3.39Å; Y728-R766 VanDerWaalsContact CE1-C 3.46Å; Y728-R766 WeakPolarHBondContact CE1-O 3.35Å; Y728-S767 VanDerWaalsContact CE2-CA 3.47Å; Y728-S767 VanDerWaalsContact CZ-CA 3.41Å; Y728-S767 PolarHBondContact N-O 2.78Å; Y728-W787 AromaticContact CD2-CE3 3.89Å; Y728-W787 HydrophobicContact CD2-CE3 3.89Å; Y728-W787 AromaticContact CD2-CZ3 3.88Å; Y728-W787 HydrophobicContact CD2-CZ3 3.88Å; Y728-W787 HydrophobicContact CE2-CE3 4.06Å; Y728-W787 AromaticContact CE2-CZ3 3.86Å; Y728-W787 HydrophobicContact CE2-CZ3 3.86Å; Y728-W792 HydrophobicContact CE2-CB 4.04Å; Y728-W792 AromaticContact CE2-CD1 3.87Å; Y728-W792 HydrophobicContact CE2-CG 4.24Å; Y728-W792 PolarHBondContact OH-N 2.83Å; Y728-W792 VanDerWaalsContact OH-N 3.12Å; Y728-I795 HydrophobicContact CD1-CB 4.36Å; Y728-I795 HydrophobicContact CD1-CG2 3.6Å; Y728-I795 HydrophobicContact CD2-CB 3.8Å; Y728-I795 HydrophobicContact CD2-CG1 3.62Å; Y728-I795 HydrophobicContact CD2-CG2 3.77Å; Y728-I795 HydrophobicContact CE1-CB 4.31Å; Y728-I795 HydrophobicContact CE1-CG2 3.89Å; Y728-I795 HydrophobicContact CE2-CB 3.73Å; Y728-I795 HydrophobicContact CE2-CG1 3.84Å; Y728-I795 HydrophobicContact CE2-CG2 4.04Å; Y728-I795 HydrophobicContact CG-CB 4.12Å; Y728-I795 HydrophobicContact CG-CG1 4.22Å; Y728-I795 HydrophobicContact CG-CG2 3.54Å; Y728-N796 PolarHBondContact OH-ND2 2.73Å; Y728-N796 VanDerWaalsContact OH-ND2 3.09Å
729	V	98.4	Very high	97.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-56.3	-42.7	-180	170.9	0	0	0	0	111.2	L593 F596 I609 D610 G727 L731 F732	L593-V729 HydrophobicContact CD2-CG2 4.08Å; F596-V729 HydrophobicContact CB-CG2 4.47Å; F596-V729 HydrophobicContact CD1-CB 3.93Å; F596-V729 HydrophobicContact CD1-CG2 3.34Å; F596-V729 HydrophobicContact CD2-CG2 4.09Å; F596-V729 HydrophobicContact CE1-CB 3.48Å; F596-V729 VanDerWaalsContact CE1-CB 3.48Å; F596-V729 HydrophobicContact CE1-CG1 4.35Å; F596-V729 HydrophobicContact CE1-CG2 3.46Å; F596-V729 VanDerWaalsContact CE1-CG2 3.46Å; F596-V729 HydrophobicContact CE2-CB 4.37Å; F596-V729 HydrophobicContact CE2-CG2 4.17Å; F596-V729 HydrophobicContact CG-CG2 3.69Å; F596-V729 HydrophobicContact CZ-CB 3.73Å; F596-V729 HydrophobicContact CZ-CG2 3.88Å; I609-V729 HydrophobicContact CG2-CG1 3.6Å; I609-V729 WeakPolarHBondContact CG2-O 3.49Å; D610-V729 HydrophobicContact CB-CG1 4.35Å; G727-V729 PolarHBondContact O-N 2.82Å; V729-L731 PolarHBondContact O-N 2.82Å; V729-F732 WeakPolarHBondContact O-CD2 3.46Å; V729-F732 PolarHBondContact O-N 3.3Å
730	N	97.9	Very high	97.3	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.021	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-68.3	-22.1	-178.8	-47.2	86.7	0	0	0	112.7	Y680 S725 F726 G727 Y728	Y680-N730 VanDerWaalsContact O-CB 3.26Å; Y680-N730 WeakPolarHBondContact O-CB 3.39Å; Y680-N730 PolarHBondContact O-ND2 3.49Å; S725-N730 PolarHBondContact O-OD1 2.81Å; S725-N730 VanDerWaalsContact O-OD1 3.1Å; F726-N730 WeakPolarHBondContact CA-OD1 3.21Å; F726-N730 HydrophobicContact CD2-CB 3.57Å; F726-N730 HydrophobicContact CE2-CB 3.82Å; G727-N730 PolarHBondContact N-OD1 3.03Å; G727-N730 WeakPolarHBondContact O-CB 3.41Å; G727-N730 PolarHBondContact O-N 3.21Å; G727-N730 VanDerWaalsContact O-N 3.15Å; G727-N730 PolarHBondContact O-OD1 3.29Å; Y728-N730 VanDerWaalsContact C-N 3.26Å; Y728-N730 PolarHBondContact O-N 2.84Å
731	L	98.4	Very high	97.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-85.7	-8.4	179	-63.6	178.8	0	0	0	113.2	F726 G727 Y728 V729 P733 F734 L735 L749 L753 L759	F726-L731 HydrophobicContact CE2-CD2 4.17Å; F726-L731 HydrophobicContact CZ-CD2 3.81Å; G727-L731 PolarHBondContact O-N 3.01Å; Y728-L731 WeakPolarHBondContact O-CB 3.42Å; Y728-L731 PolarHBondContact O-N 3.37Å; V729-L731 PolarHBondContact O-N 2.82Å; L731-P733 VanDerWaalsContact C-CD 3.45Å; L731-P733 VanDerWaalsContact C-N 3.34Å; L731-F734 CarbonylContact O-C 3.52Å; L731-F734 WeakPolarHBondContact O-CA 3.28Å; L731-F734 VanDerWaalsContact O-CB 3.29Å; L731-F734 WeakPolarHBondContact O-CB 3.46Å; L731-F734 PolarHBondContact O-N 3.2Å; L731-L735 HydrophobicContact CB-CD1 3.89Å; L731-L735 HydrophobicContact CB-CD2 4.41Å; L731-L735 HydrophobicContact CB-CG 3.85Å; L731-L735 WeakPolarHBondContact O-CG 3.42Å; L731-L735 PolarHBondContact O-N 3.26Å; L731-L749 HydrophobicContact CD2-CD1 4.27Å; L731-L749 HydrophobicContact CD2-CD2 4.18Å; L731-L749 HydrophobicContact CD2-CG 4.1Å; L731-L753 HydrophobicContact CD1-CD1 3.72Å; L731-L753 HydrophobicContact CD2-CD1 4.34Å; L731-L759 HydrophobicContact CD1-CD1 3.72Å; L731-L759 HydrophobicContact CD2-CD1 4.49Å; L731-L759 HydrophobicContact CG-CD1 4.26Å
732	F	98.6	Very high	97.2	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-53.2	-38.3	-174.5	-94.3	-98.9	0	0	0	115.9	D610 C613 W614 Y728 V729 F734 L735 L736 I795	D610-F732 HydrophobicContact CB-CB 4.31Å; D610-F732 HydrophobicContact CB-CD1 3.86Å; D610-F732 HydrophobicContact CB-CD2 3.67Å; D610-F732 HydrophobicContact CB-CE1 4.09Å; D610-F732 HydrophobicContact CB-CE2 3.87Å; D610-F732 HydrophobicContact CB-CG 3.65Å; D610-F732 HydrophobicContact CB-CZ 4.07Å; C613-F732 HydrophobicContact CB-CB 3.92Å; C613-F732 HydrophobicContact CB-CD1 4.32Å; W614-F732 HydrophobicContact CD2-CE1 4.49Å; W614-F732 AromaticContact CE2-CE1 3.58Å; W614-F732 AromaticContact CZ2-CE1 3.81Å; W614-F732 HydrophobicContact CZ2-CE1 3.81Å; W614-F732 HydrophobicContact CZ2-CZ 4.45Å; W614-F732 AromaticContact NE1-CE1 3.27Å; W614-F732 VanDerWaalsContact NE1-CE1 3.27Å; W614-F732 AromaticContact NE1-CZ 3.95Å; Y728-F732 VanDerWaalsContact O-CD2 3.26Å; Y728-F732 WeakPolarHBondContact O-CD2 3.47Å; V729-F732 WeakPolarHBondContact O-CD2 3.46Å; V729-F732 PolarHBondContact O-N 3.3Å; F732-F734 PolarHBondContact O-N 2.83Å; F732-L735 HydrophobicContact CD2-CD1 4.03Å; F732-L735 HydrophobicContact CE2-CD1 4.2Å; F732-L735 HydrophobicContact CG-CD1 4.42Å; F732-L735 PolarHBondContact O-N 3.08Å; F732-L736 HydrophobicContact CD1-CD1 3.87Å; F732-L736 HydrophobicContact CD1-CG 4.11Å; F732-L736 HydrophobicContact CE1-CD1 4.25Å; F732-L736 PolarHBondContact O-N 3.12Å; F732-I795 HydrophobicContact CZ-CD1 4.43Å
733	P	98.5	Very high	97.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.1	-35.8	173.1	-28.3	36.4	0	0	0	113.3	I609 L668 Y680 L731 V738 L739	I609-P733 HydrophobicContact CD1-CG 3.53Å; I609-P733 HydrophobicContact CG1-CG 4.14Å; L668-P733 HydrophobicContact CD1-CG 4.38Å; L668-P733 HydrophobicContact CD2-CB 3.92Å; L668-P733 HydrophobicContact CD2-CG 4.09Å; Y680-P733 HydrophobicContact CD2-CB 4.24Å; Y680-P733 HydrophobicContact CD2-CG 3.86Å; Y680-P733 HydrophobicContact CE2-CB 4.19Å; Y680-P733 HydrophobicContact CE2-CG 4.25Å; Y680-P733 HydrophobicContact CG-CG 4.03Å; L731-P733 VanDerWaalsContact C-CD 3.45Å; L731-P733 VanDerWaalsContact C-N 3.34Å; P733-V738 WeakPolarHBondContact O-CA 3.23Å; P733-V738 WeakPolarHBondContact O-CB 3.1Å; P733-V738 PolarHBondContact O-N 3.43Å; P733-L739 HydrophobicContact CB-CD1 4.18Å; P733-L739 HydrophobicContact CB-CD2 3.84Å; P733-L739 HydrophobicContact CB-CG 3.71Å; P733-L739 PolarHBondContact O-N 2.71Å; P733-L739 VanDerWaalsContact O-N 3.07Å
734	F	98.4	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-78.5	-49.6	174.1	165.2	-97.6	0	0	0	111.7	L731 F732 L736 K737 L739 L746 L749 L750 L753 A799 S802 L803 Y806	L731-F734 CarbonylContact O-C 3.52Å; L731-F734 WeakPolarHBondContact O-CA 3.28Å; L731-F734 VanDerWaalsContact O-CB 3.29Å; L731-F734 WeakPolarHBondContact O-CB 3.46Å; L731-F734 PolarHBondContact O-N 3.2Å; F732-F734 PolarHBondContact O-N 2.83Å; F734-L736 VanDerWaalsContact C-N 3.28Å; F734-L736 PolarHBondContact O-N 2.8Å; F734-K737 PolarHBondContact O-N 2.84Å; F734-L739 HydrophobicContact CB-CD1 4.25Å; F734-L746 HydrophobicContact CD2-CD1 3.97Å; F734-L746 HydrophobicContact CE2-CD1 4.32Å; F734-L749 HydrophobicContact CB-CD1 3.6Å; F734-L749 HydrophobicContact CB-CD2 3.84Å; F734-L749 HydrophobicContact CB-CG 4.4Å; F734-L749 HydrophobicContact CD1-CD2 4.02Å; F734-L749 HydrophobicContact CD2-CD2 3.68Å; F734-L749 HydrophobicContact CE2-CD2 4.23Å; F734-L749 HydrophobicContact CG-CD1 4.28Å; F734-L749 HydrophobicContact CG-CD2 3.57Å; F734-L750 HydrophobicContact CE2-CD2 4.08Å; F734-L750 HydrophobicContact CZ-CD2 4.48Å; F734-L753 HydrophobicContact CE1-CD2 4.35Å; F734-L753 HydrophobicContact CZ-CD2 4.44Å; F734-A799 HydrophobicContact CE1-CB 4.37Å; F734-S802 WeakPolarHBondContact CE2-OG 3.28Å; F734-S802 WeakPolarHBondContact CZ-OG 3.32Å; F734-S802 WeakPolarHBondContact O-CB 3.23Å; F734-S802 PolarHBondContact O-OG 2.89Å; F734-L803 HydrophobicContact CE2-CD2 4.24Å; F734-L803 HydrophobicContact CZ-CD2 3.66Å; F734-L803 HydrophobicContact CZ-CG 3.76Å; F734-Y806 AromaticContact CD2-CD2 3.91Å; F734-Y806 HydrophobicContact CD2-CD2 3.91Å; F734-Y806 AromaticContact CD2-CE2 3.52Å; F734-Y806 HydrophobicContact CD2-CE2 3.52Å; F734-Y806 AromaticContact CE2-CD2 3.58Å; F734-Y806 HydrophobicContact CE2-CD2 3.58Å; F734-Y806 AromaticContact CE2-CE2 3.69Å; F734-Y806 HydrophobicContact CE2-CE2 3.69Å
735	L	98.6	Very high	97.4	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-57.2	-40	-174.8	-64.6	171.3	0	0	0	112.5	L731 F732 I795 L798 A799	L731-L735 HydrophobicContact CB-CD1 3.89Å; L731-L735 HydrophobicContact CB-CD2 4.41Å; L731-L735 HydrophobicContact CB-CG 3.85Å; L731-L735 WeakPolarHBondContact O-CG 3.42Å; L731-L735 PolarHBondContact O-N 3.26Å; F732-L735 HydrophobicContact CD2-CD1 4.03Å; F732-L735 HydrophobicContact CE2-CD1 4.2Å; F732-L735 HydrophobicContact CG-CD1 4.42Å; F732-L735 PolarHBondContact O-N 3.08Å; L735-I795 HydrophobicContact CD1-CG2 3.67Å; L735-I795 HydrophobicContact CD2-CG2 4.17Å; L735-L798 HydrophobicContact CB-CB 4.14Å; L735-L798 HydrophobicContact CD2-CB 4.1Å; L735-A799 HydrophobicContact CD2-CB 3.71Å
736	L	98.5	Very high	97.7	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	11.6	-179.1	-57.3	-171.8	0	0	0	113.6	C613 W614 L617 R620 F732 F734 V738 L798	C613-L736 HydrophobicContact CB-CD1 4.04Å; W614-L736 HydrophobicContact CD2-CD1 3.73Å; W614-L736 HydrophobicContact CE3-CD1 3.67Å; W614-L736 HydrophobicContact CG-CD1 4.2Å; W614-L736 HydrophobicContact CH2-CD1 4.44Å; W614-L736 HydrophobicContact CH2-CD2 4.17Å; W614-L736 HydrophobicContact CZ3-CD1 4.04Å; W614-L736 HydrophobicContact CZ3-CD2 4.12Å; L617-L736 HydrophobicContact CB-CD1 4.39Å; L617-L736 HydrophobicContact CD2-CD1 4.37Å; L617-L736 HydrophobicContact CD2-CD2 4.24Å; R620-L736 PolarHBondContact NH2-O 2.94Å; F732-L736 HydrophobicContact CD1-CD1 3.87Å; F732-L736 HydrophobicContact CD1-CG 4.11Å; F732-L736 HydrophobicContact CE1-CD1 4.25Å; F732-L736 PolarHBondContact O-N 3.12Å; F734-L736 VanDerWaalsContact C-N 3.28Å; F734-L736 PolarHBondContact O-N 2.8Å; L736-V738 VanDerWaalsContact C-N 3.28Å; L736-V738 HydrophobicContact CB-CG2 4.25Å; L736-V738 PolarHBondContact O-N 2.77Å; L736-L798 HydrophobicContact CD2-CD1 4.01Å; L736-L798 HydrophobicContact CD2-CD2 4.38Å
737	K	97.9	Very high	97.7	Very high	55 Å²	55	20.4 Å²	20.4	24%	0.239	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	44.4	177.6	-48.9	161.6	-171.2	169	0	111.3	R620 F734 Y805	R620-K737 PolarHBondContact NH1-O 2.94Å; F734-K737 PolarHBondContact O-N 2.84Å; K737-Y805 HydrophobicContact CB-CD1 4.24Å; K737-Y805 HydrophobicContact CB-CE1 4.21Å; K737-Y805 HydrophobicContact CD-CD1 4.08Å; K737-Y805 HydrophobicContact CD-CD2 4.04Å; K737-Y805 HydrophobicContact CD-CG 3.78Å; K737-Y805 HydrophobicContact CG-CD1 3.94Å; K737-Y805 HydrophobicContact CG-CE1 4.41Å; K737-Y805 HydrophobicContact CG-CG 4.14Å
738	V	98	Very high	97.6	Very high	9 Å²	9	26 Å²	26	6%	0.055	14%	0.139	C	C	.	.			trans	-83.1	-35.9	174.1	177.7	0	0	0	0	109.9	C613 T616 L668 P733 L736	C613-V738 HydrophobicContact CB-CG2 4.11Å; T616-V738 HydrophobicContact CG2-CG1 4.11Å; T616-V738 HydrophobicContact CG2-CG2 4.06Å; L668-V738 HydrophobicContact CD2-CG1 4.4Å; P733-V738 WeakPolarHBondContact O-CA 3.23Å; P733-V738 WeakPolarHBondContact O-CB 3.1Å; P733-V738 PolarHBondContact O-N 3.43Å; L736-V738 VanDerWaalsContact C-N 3.28Å; L736-V738 HydrophobicContact CB-CG2 4.25Å; L736-V738 PolarHBondContact O-N 2.77Å
739	L	96.7	Very high	97.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-65.5	135.4	176.6	-63.2	176.6	0	0	0	111.4	L668 Y680 P733 F734 L749 Y806	L668-L739 HydrophobicContact CD2-CD2 3.95Å; Y680-L739 HydrophobicContact CE2-CD1 4.18Å; Y680-L739 HydrophobicContact CE2-CD2 3.76Å; Y680-L739 VanDerWaalsContact OH-CD2 3.27Å; Y680-L739 WeakPolarHBondContact OH-CD2 3.42Å; P733-L739 HydrophobicContact CB-CD1 4.18Å; P733-L739 HydrophobicContact CB-CD2 3.84Å; P733-L739 HydrophobicContact CB-CG 3.71Å; P733-L739 PolarHBondContact O-N 2.71Å; P733-L739 VanDerWaalsContact O-N 3.07Å; F734-L739 HydrophobicContact CB-CD1 4.25Å; L739-L749 HydrophobicContact CD1-CD1 4.02Å; L739-Y806 PolarHBondContact O-OH 2.82Å
740	S	96.3	Very high	97.5	Very high	34 Å²	34	26.6 Å²	26.6	24%	0.238	14%	0.142	C	C	.	.			trans	-56.3	141.1	170.6	177.9	0	0	0	0	110.6	T742 S743	S740-T742 PolarHBondContact O-N 2.8Å; S740-T742 PolarHBondContact OG-N 3.41Å; S740-T742 PolarHBondContact OG-OG1 3.31Å; S740-S743 WeakPolarHBondContact O-CB 3.38Å; S740-S743 PolarHBondContact O-N 2.88Å
741	P	97.5	Very high	97.5	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.032	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.8	170.6	-26.6	35.2	0	0	0	114.4	Y805 Y806 H809 R811 P813	P741-Y805 HydrophobicContact CG-CE1 4.3Å; P741-Y806 HydrophobicContact CB-CD1 4.41Å; P741-Y806 HydrophobicContact CG-CE1 4.44Å; P741-H809 HydrophobicContact CG-CB 4.49Å; P741-H809 WeakPolarHBondContact CG-ND1 3.27Å; P741-R811 HydrophobicContact CB-CB 4.08Å; P741-P813 WeakPolarHBondContact O-CD 3.15Å
742	T	97.4	Very high	97.4	Very high	82 Å²	82	29.4 Å²	29.4	50%	0.503	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	13.1	176.8	57.2	0	0	0	0	113.3	S740 R811	S740-T742 PolarHBondContact O-N 2.8Å; S740-T742 PolarHBondContact OG-N 3.41Å; S740-T742 PolarHBondContact OG-OG1 3.31Å; T742-R811 HydrophobicContact CG2-CB 4.21Å; T742-R811 WeakPolarHBondContact CG2-O 3.43Å
743	S	97.4	Very high	97.3	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	16%	0.163	C	C	.	.			trans	-59.9	130.7	-177.3	-178.4	0	0	0	0	111.4	Q665 S740 R745 L746	Q665-S743 VanDerWaalsContact CD-OG 3.31Å; Q665-S743 PolarHBondContact NE2-OG 3.26Å; Q665-S743 PolarHBondContact OE1-OG 3.14Å; S740-S743 WeakPolarHBondContact O-CB 3.38Å; S740-S743 PolarHBondContact O-N 2.88Å; S743-R745 PolarHBondContact O-N 2.9Å; S743-R745 VanDerWaalsContact O-N 3.17Å; S743-R745 PolarHBondContact OG-N 3.37Å; S743-L746 WeakPolarHBondContact O-CB 3.1Å; S743-L746 PolarHBondContact O-N 3.42Å
744	P	96	Very high	97.1	Very high	97 Å²	97	31 Å²	31	63%	0.63	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16	174.2	27.9	-36.4	0	0	0	113
745	R	96.5	Very high	97	Very high	58 Å²	58	33.5 Å²	33.5	22%	0.219	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.5	179.9	-50.4	-47.1	-173.4	160.3	3.4	112.6	D669 W673 E675 S743 R748 L749	D669-R745 IonicContact OD2-NE 3.44Å; W673-R745 HydrophobicContact CD2-CG 4.41Å; W673-R745 HydrophobicContact CE3-CG 4.16Å; W673-R745 HydrophobicContact CH2-CB 3.75Å; W673-R745 HydrophobicContact CH2-CG 3.84Å; W673-R745 HydrophobicContact CZ2-CB 4.47Å; W673-R745 VanDerWaalsContact CZ2-CD 3.48Å; W673-R745 HydrophobicContact CZ2-CG 4.12Å; W673-R745 HydrophobicContact CZ3-CB 3.79Å; W673-R745 HydrophobicContact CZ3-CG 3.86Å; W673-R745 VanDerWaalsContact NE1-NH1 3.18Å; E675-R745 IonicContact OE1-CZ 3.25Å; E675-R745 IonicContact OE1-NH1 2.82Å; E675-R745 IonicContact OE1-NH2 3.27Å; E675-R745 PolarHBondContact OE1-NH2 3.35Å; E675-R745 IonicContact OE2-CZ 3.76Å; E675-R745 IonicContact OE2-NH1 3.8Å; E675-R745 PolarHBondContact OE2-NH1 3.43Å; E675-R745 IonicContact OE2-NH2 3.94Å; S743-R745 PolarHBondContact O-N 2.9Å; S743-R745 VanDerWaalsContact O-N 3.17Å; S743-R745 PolarHBondContact OG-N 3.37Å; R745-R748 PolarHBondContact O-N 2.94Å; R745-L749 PolarHBondContact O-N 2.88Å
746	L	97.2	Very high	96.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-44.9	-176.1	-175.3	61.1	0	0	0	113.5	F734 S743 R748 L749 L750 Y806 V816	F734-L746 HydrophobicContact CD2-CD1 3.97Å; F734-L746 HydrophobicContact CE2-CD1 4.32Å; S743-L746 WeakPolarHBondContact O-CB 3.1Å; S743-L746 PolarHBondContact O-N 3.42Å; L746-R748 VanDerWaalsContact C-N 3.32Å; L746-R748 PolarHBondContact O-N 3.03Å; L746-L749 PolarHBondContact O-N 2.8Å; L746-L750 HydrophobicContact CD1-CD2 4.38Å; L746-L750 HydrophobicContact CD1-CG 4.27Å; L746-L750 HydrophobicContact CG-CG 4.47Å; L746-L750 WeakPolarHBondContact O-CG 3.34Å; L746-L750 PolarHBondContact O-N 3.39Å; L746-Y806 HydrophobicContact CD1-CD2 4.32Å; L746-Y806 HydrophobicContact CD1-CE2 4.32Å; L746-Y806 HydrophobicContact CD2-CD1 3.61Å; L746-Y806 HydrophobicContact CD2-CE1 3.96Å; L746-Y806 HydrophobicContact CD2-CG 3.96Å; L746-V816 HydrophobicContact CD2-CG1 3.72Å; L746-V816 HydrophobicContact CG-CG1 3.87Å
747	P	97.5	Very high	96.8	Very high	63 Å²	63	44.8 Å²	44.8	41%	0.409	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-42.5	177.9	-23.3	32.9	0	0	0	113.1	L750 A751 V816	P747-L750 PolarHBondContact O-N 2.97Å; P747-A751 PolarHBondContact O-N 3.25Å; P747-V816 HydrophobicContact CB-CG2 4.48Å; P747-V816 HydrophobicContact CG-CG2 3.86Å
748	R	96.3	Very high	96.7	Very high	118 Å²	118	43.3 Å²	43.3	45%	0.445	23%	0.233	S	C	.	.	H	α-helix	trans	-65.8	-43.8	177.5	175.8	58.3	-172.3	-83.4	-15.2	111.2	Q677 R745 L746 L750 A751 D752	Q677-R748 PolarHBondContact O-NH2 2.94Å; R745-R748 PolarHBondContact O-N 2.94Å; L746-R748 VanDerWaalsContact C-N 3.32Å; L746-R748 PolarHBondContact O-N 3.03Å; R748-L750 VanDerWaalsContact C-N 3.32Å; R748-L750 PolarHBondContact O-N 2.83Å; R748-A751 WeakPolarHBondContact O-CB 3.24Å; R748-A751 PolarHBondContact O-N 3.33Å; R748-A751 VanDerWaalsContact O-N 3.16Å; R748-D752 IonicContact CZ-OD1 3.89Å; R748-D752 IonicContact CZ-OD2 3.35Å; R748-D752 VanDerWaalsContact NE-CG 3.33Å; R748-D752 IonicContact NE-OD1 3.63Å; R748-D752 PolarHBondContact NE-OD1 2.79Å; R748-D752 IonicContact NE-OD2 2.94Å; R748-D752 PolarHBondContact NE-OD2 2.92Å; R748-D752 IonicContact NH2-OD1 3.86Å; R748-D752 IonicContact NH2-OD2 3.3Å; R748-D752 PolarHBondContact O-N 2.92Å
749	L	97	Very high	96.6	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-43.4	176.9	-173.8	152.6	0	0	0	111.7	L731 F734 L739 R745 L746 D752 L753	L731-L749 HydrophobicContact CD2-CD1 4.27Å; L731-L749 HydrophobicContact CD2-CD2 4.18Å; L731-L749 HydrophobicContact CD2-CG 4.1Å; F734-L749 HydrophobicContact CB-CD1 3.6Å; F734-L749 HydrophobicContact CB-CD2 3.84Å; F734-L749 HydrophobicContact CB-CG 4.4Å; F734-L749 HydrophobicContact CD1-CD2 4.02Å; F734-L749 HydrophobicContact CD2-CD2 3.68Å; F734-L749 HydrophobicContact CE2-CD2 4.23Å; F734-L749 HydrophobicContact CG-CD1 4.28Å; F734-L749 HydrophobicContact CG-CD2 3.57Å; L739-L749 HydrophobicContact CD1-CD1 4.02Å; R745-L749 PolarHBondContact O-N 2.88Å; L746-L749 PolarHBondContact O-N 2.8Å; L749-D752 PolarHBondContact O-N 2.78Å; L749-L753 WeakPolarHBondContact O-CB 3.34Å; L749-L753 PolarHBondContact O-N 2.86Å
750	L	98.1	Very high	96.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-40	176.3	-64.9	-175.9	0	0	0	111.9	F734 L746 P747 R748 L753 S754 L803 V816 E819 A820 L823	F734-L750 HydrophobicContact CE2-CD2 4.08Å; F734-L750 HydrophobicContact CZ-CD2 4.48Å; L746-L750 HydrophobicContact CD1-CD2 4.38Å; L746-L750 HydrophobicContact CD1-CG 4.27Å; L746-L750 HydrophobicContact CG-CG 4.47Å; L746-L750 WeakPolarHBondContact O-CG 3.34Å; L746-L750 PolarHBondContact O-N 3.39Å; P747-L750 PolarHBondContact O-N 2.97Å; R748-L750 VanDerWaalsContact C-N 3.32Å; R748-L750 PolarHBondContact O-N 2.83Å; L750-L753 WeakPolarHBondContact O-CB 3.17Å; L750-L753 PolarHBondContact O-N 2.75Å; L750-S754 WeakPolarHBondContact O-CB 3.3Å; L750-S754 PolarHBondContact O-N 2.93Å; L750-S754 PolarHBondContact O-OG 3.28Å; L750-L803 HydrophobicContact CD2-CD2 3.62Å; L750-V816 HydrophobicContact CD1-CG1 3.7Å; L750-E819 HydrophobicContact CB-CG 4.3Å; L750-E819 HydrophobicContact CD1-CB 4.41Å; L750-E819 HydrophobicContact CD1-CG 4.27Å; L750-A820 HydrophobicContact CD1-CB 4.11Å; L750-L823 HydrophobicContact CB-CD1 4.14Å; L750-L823 HydrophobicContact CD2-CD1 4.23Å
751	A	97.2	Very high	96.8	Very high	48 Å²	48	41.9 Å²	41.9	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-47.2	174.7	0	0	0	0	0	111.4	P747 R748 L753 S754 N755	P747-A751 PolarHBondContact O-N 3.25Å; R748-A751 WeakPolarHBondContact O-CB 3.24Å; R748-A751 PolarHBondContact O-N 3.33Å; R748-A751 VanDerWaalsContact O-N 3.16Å; A751-L753 VanDerWaalsContact C-N 3.34Å; A751-L753 PolarHBondContact O-N 3Å; A751-S754 PolarHBondContact O-N 2.9Å; A751-S754 PolarHBondContact O-OG 2.92Å; A751-N755 PolarHBondContact O-N 2.98Å
752	D	95.4	Very high	96.8	Very high	14 Å²	14	47 Å²	47	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-36.7	178.3	-67.9	-23.5	0	0	0	112	F726 R748 L749 S754 N755 L758	F726-D752 HydrophobicContact CE1-CB 3.95Å; F726-D752 HydrophobicContact CZ-CB 4.06Å; R748-D752 IonicContact CZ-OD1 3.89Å; R748-D752 IonicContact CZ-OD2 3.35Å; R748-D752 VanDerWaalsContact NE-CG 3.33Å; R748-D752 IonicContact NE-OD1 3.63Å; R748-D752 PolarHBondContact NE-OD1 2.79Å; R748-D752 IonicContact NE-OD2 2.94Å; R748-D752 PolarHBondContact NE-OD2 2.92Å; R748-D752 IonicContact NH2-OD1 3.86Å; R748-D752 IonicContact NH2-OD2 3.3Å; R748-D752 PolarHBondContact O-N 2.92Å; L749-D752 PolarHBondContact O-N 2.78Å; D752-S754 VanDerWaalsContact C-N 3.33Å; D752-S754 PolarHBondContact O-N 3.07Å; D752-N755 WeakPolarHBondContact O-CB 3.32Å; D752-N755 PolarHBondContact O-N 2.85Å; D752-L758 HydrophobicContact CB-CD1 4.07Å
753	L	96.2	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-42.3	175.4	-165.7	72.9	0	0	0	111.5	L731 F734 L749 L750 A751 N755 W760 L765 L803 L823	L731-L753 HydrophobicContact CD1-CD1 3.72Å; L731-L753 HydrophobicContact CD2-CD1 4.34Å; F734-L753 HydrophobicContact CE1-CD2 4.35Å; F734-L753 HydrophobicContact CZ-CD2 4.44Å; L749-L753 WeakPolarHBondContact O-CB 3.34Å; L749-L753 PolarHBondContact O-N 2.86Å; L750-L753 WeakPolarHBondContact O-CB 3.17Å; L750-L753 PolarHBondContact O-N 2.75Å; A751-L753 VanDerWaalsContact C-N 3.34Å; A751-L753 PolarHBondContact O-N 3Å; L753-N755 PolarHBondContact O-N 2.89Å; L753-W760 WeakPolarHBondContact O-CB 3.48Å; L753-L765 HydrophobicContact CD1-CD1 3.63Å; L753-L765 HydrophobicContact CD1-CD2 3.82Å; L753-L765 HydrophobicContact CD1-CG 4.36Å; L753-L765 HydrophobicContact CG-CD1 4.31Å; L753-L765 HydrophobicContact CG-CD2 3.99Å; L753-L803 HydrophobicContact CD2-CD1 4.17Å; L753-L803 HydrophobicContact CD2-CD2 3.94Å; L753-L803 HydrophobicContact CD2-CG 4.38Å; L753-L823 HydrophobicContact CD2-CD1 4.49Å
754	S	95.9	Very high	96.9	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-75.6	-10.1	-179.6	79.1	0	0	0	0	114.2	L750 A751 D752 K756	L750-S754 WeakPolarHBondContact O-CB 3.3Å; L750-S754 PolarHBondContact O-N 2.93Å; L750-S754 PolarHBondContact O-OG 3.28Å; A751-S754 PolarHBondContact O-N 2.9Å; A751-S754 PolarHBondContact O-OG 2.92Å; D752-S754 VanDerWaalsContact C-N 3.33Å; D752-S754 PolarHBondContact O-N 3.07Å; S754-K756 PolarHBondContact O-N 2.95Å
755	N	96.5	Very high	97	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.283	20%	0.199	S	C	.	.			trans	-78.3	117.9	-172.2	-171.2	-19.3	0	0	0	111.4	A751 D752 L753 E757 L758 L759 W760	A751-N755 PolarHBondContact O-N 2.98Å; D752-N755 WeakPolarHBondContact O-CB 3.32Å; D752-N755 PolarHBondContact O-N 2.85Å; L753-N755 PolarHBondContact O-N 2.89Å; N755-E757 PolarHBondContact O-N 3.17Å; N755-E757 WeakPolarHBondContact OD1-CB 3.37Å; N755-E757 PolarHBondContact OD1-N 2.88Å; N755-L758 HydrophobicContact CB-CB 4.15Å; N755-L758 HydrophobicContact CB-CD1 4.03Å; N755-L758 HydrophobicContact CB-CG 4.05Å; N755-L758 PolarHBondContact O-N 3.38Å; N755-L759 PolarHBondContact O-N 3.32Å; N755-W760 WeakPolarHBondContact O-CB 3.33Å; N755-W760 PolarHBondContact O-N 3.37Å; N755-W760 VanDerWaalsContact O-N 3.11Å
756	K	96.4	Very high	97.1	Very high	133 Å²	133	38.5 Å²	38.5	58%	0.578	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.3	178.8	-66.7	-170.8	178.8	-169.6	0	113.6	S754 L758 W760 R766	S754-K756 PolarHBondContact O-N 2.95Å; K756-L758 PolarHBondContact O-N 3.47Å; K756-W760 WeakPolarHBondContact CA-O 3.29Å; K756-R766 PolarHBondContact O-NH1 3.39Å
757	E	95.1	Very high	97.2	Very high	112 Å²	112	38.5 Å²	38.5	52%	0.523	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.5	175.5	-57.8	-171.7	174.2	0	0	113	N755 K771	N755-E757 PolarHBondContact O-N 3.17Å; N755-E757 WeakPolarHBondContact OD1-CB 3.37Å; N755-E757 PolarHBondContact OD1-N 2.88Å; E757-K771 WeakPolarHBondContact OE2-CE 3.5Å; E757-K771 IonicContact OE2-NZ 3.66Å; E757-K771 PolarHBondContact OE2-NZ 2.85Å
758	L	95.8	Very high	97.2	Very high	24 Å²	24	35.5 Å²	35.5	13%	0.126	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-103	177.5	-58.4	179.7	0	0	0	109.9	D752 N755 K756 R766 N769 L770 K771	D752-L758 HydrophobicContact CB-CD1 4.07Å; N755-L758 HydrophobicContact CB-CB 4.15Å; N755-L758 HydrophobicContact CB-CD1 4.03Å; N755-L758 HydrophobicContact CB-CG 4.05Å; N755-L758 PolarHBondContact O-N 3.38Å; K756-L758 PolarHBondContact O-N 3.47Å; L758-R766 PolarHBondContact O-NH1 2.89Å; L758-N769 HydrophobicContact CB-CB 4.13Å; L758-N769 HydrophobicContact CD2-CB 4.13Å; L758-L770 PolarHBondContact O-N 3.04Å; L758-K771 HydrophobicContact CD2-CD 4.32Å
759	L	97.4	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-23	-170.6	-56.7	-177.9	0	0	0	113.4	F726 L731 N755 S761 L765 R766 N769	F726-L759 HydrophobicContact CD1-CD1 3.92Å; F726-L759 HydrophobicContact CD1-CD2 4.36Å; F726-L759 HydrophobicContact CD1-CG 4.04Å; F726-L759 HydrophobicContact CE1-CD1 3.42Å; F726-L759 VanDerWaalsContact CE1-CD1 3.42Å; F726-L759 HydrophobicContact CE1-CG 3.84Å; F726-L759 HydrophobicContact CZ-CD1 3.98Å; L731-L759 HydrophobicContact CD1-CD1 3.72Å; L731-L759 HydrophobicContact CD2-CD1 4.49Å; L731-L759 HydrophobicContact CG-CD1 4.26Å; N755-L759 PolarHBondContact O-N 3.32Å; L759-S761 PolarHBondContact O-N 2.96Å; L759-L765 CarbonylContact O-C 3.54Å; L759-L765 WeakPolarHBondContact O-CA 3.37Å; L759-R766 PolarHBondContact O-N 3.21Å; L759-N769 HydrophobicContact CD2-CB 3.81Å; L759-N769 VanDerWaalsContact CD2-N 3.32Å
760	W	98.3	Very high	97.1	Very high	14 Å²	14	32.5 Å²	32.5	5%	0.053	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-77.1	127.8	-173.4	-164.1	-89	0	0	0	112.2	L753 N755 K756 L765 R766 L823 Q826 L827	L753-W760 WeakPolarHBondContact O-CB 3.48Å; N755-W760 WeakPolarHBondContact O-CB 3.33Å; N755-W760 PolarHBondContact O-N 3.37Å; N755-W760 VanDerWaalsContact O-N 3.11Å; K756-W760 WeakPolarHBondContact CA-O 3.29Å; W760-L765 HydrophobicContact CE3-CD2 3.61Å; W760-L765 HydrophobicContact CZ3-CD2 4.09Å; W760-R766 PolarHBondContact O-NH1 2.82Å; W760-L823 HydrophobicContact CE3-CD2 4.43Å; W760-L823 HydrophobicContact CH2-CD2 3.96Å; W760-L823 HydrophobicContact CZ3-CD2 3.83Å; W760-Q826 HydrophobicContact CH2-CB 4.07Å; W760-Q826 HydrophobicContact CZ2-CB 3.83Å; W760-L827 HydrophobicContact CH2-CB 3.71Å; W760-L827 HydrophobicContact CH2-CD1 4.48Å; W760-L827 HydrophobicContact CZ3-CB 4.1Å; W760-L827 HydrophobicContact CZ3-CD1 4.43Å
761	S	98	Very high	97	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.028	19%	0.192	C	C	.	.			trans	-126.6	169.7	168.3	82.1	0	0	0	0	111	L759 F763 G764 I791 N830	L759-S761 PolarHBondContact O-N 2.96Å; S761-F763 PolarHBondContact O-N 3.08Å; S761-F763 PolarHBondContact OG-N 3.12Å; S761-F763 VanDerWaalsContact OG-N 3.11Å; S761-G764 WeakPolarHBondContact CB-O 3.3Å; S761-G764 PolarHBondContact N-O 3.38Å; S761-G764 VanDerWaalsContact N-O 3.07Å; S761-G764 PolarHBondContact OG-N 3.44Å; S761-G764 VanDerWaalsContact OG-N 3.1Å; S761-G764 PolarHBondContact OG-O 2.87Å; S761-I791 WeakPolarHBondContact OG-CD1 3.29Å; S761-N830 PolarHBondContact O-ND2 3.19Å
762	E	97.2	Very high	96.9	Very high	112 Å²	112	36.8 Å²	36.8	52%	0.523	18%	0.176	S	C	.	.	S	Bend	trans	-71.3	-5.9	174.2	-56.9	-161.4	148.6	0	0	113.5	N830 R833	E762-N830 WeakPolarHBondContact O-CB 3.47Å; E762-N830 VanDerWaalsContact O-CG 3.28Å; E762-R833 PolarHBondContact O-NH2 2.76Å
763	F	98.3	Very high	96.7	Very high	42 Å²	42	39.4 Å²	39.4	18%	0.184	19%	0.193	C	C	.	.	S	Bend	trans	-112.2	-15	-176.4	-47.9	-71.6	0	0	0	113.3	S761 I791 T834 D851 Q852 T853 G854	S761-F763 PolarHBondContact O-N 3.08Å; S761-F763 PolarHBondContact OG-N 3.12Å; S761-F763 VanDerWaalsContact OG-N 3.11Å; F763-I791 HydrophobicContact CB-CD1 3.49Å; F763-I791 VanDerWaalsContact CB-CD1 3.49Å; F763-T834 WeakPolarHBondContact CA-OG1 3.16Å; F763-T834 HydrophobicContact CB-CG2 3.94Å; F763-T834 WeakPolarHBondContact CB-OG1 3.41Å; F763-T834 HydrophobicContact CD1-CG2 4.26Å; F763-T834 PolarHBondContact O-OG1 3.14Å; F763-D851 WeakPolarHBondContact CD2-O 3.45Å; F763-Q852 VanDerWaalsContact CE2-O 3.26Å; F763-Q852 WeakPolarHBondContact CE2-O 3.31Å; F763-T853 VanDerWaalsContact CZ-C 3.42Å; F763-G854 VanDerWaalsContact CD1-CA 3.42Å
764	G	98.4	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	146	-174.5	-174.2	0	0	0	0	0	113	S761	S761-G764 WeakPolarHBondContact CB-O 3.3Å; S761-G764 PolarHBondContact N-O 3.38Å; S761-G764 VanDerWaalsContact N-O 3.07Å; S761-G764 PolarHBondContact OG-N 3.44Å; S761-G764 VanDerWaalsContact OG-N 3.1Å; S761-G764 PolarHBondContact OG-O 2.87Å
765	L	98.7	Very high	96.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-81.9	129.1	175.5	-59.1	173.9	0	0	0	110.8	Y728 L753 L759 W760 N796 A799 L827	Y728-L765 HydrophobicContact CE1-CB 4.21Å; Y728-L765 PolarHBondContact OH-O 3.26Å; L753-L765 HydrophobicContact CD1-CD1 3.63Å; L753-L765 HydrophobicContact CD1-CD2 3.82Å; L753-L765 HydrophobicContact CD1-CG 4.36Å; L753-L765 HydrophobicContact CG-CD1 4.31Å; L753-L765 HydrophobicContact CG-CD2 3.99Å; L759-L765 CarbonylContact O-C 3.54Å; L759-L765 WeakPolarHBondContact O-CA 3.37Å; W760-L765 HydrophobicContact CE3-CD2 3.61Å; W760-L765 HydrophobicContact CZ3-CD2 4.09Å; L765-N796 VanDerWaalsContact CB-OD1 3.31Å; L765-N796 WeakPolarHBondContact CB-OD1 3.38Å; L765-N796 WeakPolarHBondContact CG-OD1 3.43Å; L765-N796 PolarHBondContact N-OD1 2.85Å; L765-N796 PolarHBondContact O-ND2 3.01Å; L765-A799 HydrophobicContact CD1-CB 3.55Å; L765-L827 HydrophobicContact CD1-CD2 3.71Å; L765-L827 HydrophobicContact CD2-CD1 4.43Å; L765-L827 HydrophobicContact CD2-CD2 4.47Å; L765-L827 HydrophobicContact CG-CD1 3.95Å; L765-L827 HydrophobicContact CG-CD2 3.84Å
766	R	98.6	Very high	96.7	Very high	21 Å²	21	40.4 Å²	40.4	8%	0.079	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-66.5	145.3	172.8	-61.5	-174.3	-177	86.8	9.2	111.3	Y728 K756 L758 L759 W760 I768 G789 D851	Y728-R766 WeakPolarHBondContact CD1-O 3.39Å; Y728-R766 VanDerWaalsContact CE1-C 3.46Å; Y728-R766 WeakPolarHBondContact CE1-O 3.35Å; K756-R766 PolarHBondContact O-NH1 3.39Å; L758-R766 PolarHBondContact O-NH1 2.89Å; L759-R766 PolarHBondContact O-N 3.21Å; W760-R766 PolarHBondContact O-NH1 2.82Å; R766-I768 VanDerWaalsContact C-N 3.26Å; R766-I768 VanDerWaalsContact CB-O 3.26Å; R766-I768 WeakPolarHBondContact CB-O 3.34Å; R766-I768 PolarHBondContact O-N 3.04Å; R766-G789 WeakPolarHBondContact CB-O 3.42Å; R766-D851 VanDerWaalsContact CD-OD2 3.29Å; R766-D851 WeakPolarHBondContact CD-OD2 3.34Å; R766-D851 HydrophobicContact CG-CB 3.71Å; R766-D851 IonicContact CZ-OD2 3.58Å; R766-D851 IonicContact NE-OD2 3.77Å; R766-D851 PolarHBondContact NE-OD2 3.4Å
767	S	98.5	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-60.9	-34.6	172.5	38.9	0	0	0	0	113.1	F596 G727 Y728 W787 G789 A790	F596-S767 WeakPolarHBondContact CE2-O 3.27Å; G727-S767 CarbonylContact C-O 3.59Å; G727-S767 WeakPolarHBondContact CA-O 3.38Å; Y728-S767 VanDerWaalsContact CE2-CA 3.47Å; Y728-S767 VanDerWaalsContact CZ-CA 3.41Å; Y728-S767 PolarHBondContact N-O 2.78Å; S767-W787 WeakPolarHBondContact CB-O 3.2Å; S767-W787 VanDerWaalsContact OG-C 3.27Å; S767-W787 PolarHBondContact OG-O 2.81Å; S767-G789 VanDerWaalsContact OG-C 3.25Å; S767-G789 WeakPolarHBondContact OG-CA 3.23Å; S767-G789 PolarHBondContact OG-N 2.79Å; S767-A790 VanDerWaalsContact CB-O 3.28Å; S767-A790 WeakPolarHBondContact CB-O 3.31Å; S767-A790 PolarHBondContact N-O 2.94Å; S767-A790 PolarHBondContact OG-N 2.68Å; S767-A790 PolarHBondContact OG-O 2.98Å
768	I	97.8	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-138.9	153.5	175	-156.8	171.2	0	0	0	110.9	P597 R766 S772 F774 Y775	P597-I768 HydrophobicContact CG-CD1 3.46Å; P597-I768 VanDerWaalsContact CG-CD1 3.46Å; R766-I768 VanDerWaalsContact C-N 3.26Å; R766-I768 VanDerWaalsContact CB-O 3.26Å; R766-I768 WeakPolarHBondContact CB-O 3.34Å; R766-I768 PolarHBondContact O-N 3.04Å; I768-S772 WeakPolarHBondContact CD1-OG 3.47Å; I768-F774 HydrophobicContact CD1-CB 4.18Å; I768-Y775 HydrophobicContact CG2-CD2 4.03Å
769	N	96.1	Very high	96.7	Very high	7 Å²	7	34 Å²	34	4%	0.037	16%	0.164	C	C	.	.			trans	-69.6	149.9	-179.5	82.7	86.3	0	0	0	112.8	F726 L758 L759 K771 S772	F726-N769 HydrophobicContact CD1-CB 4.43Å; F726-N769 PolarHBondContact N-ND2 2.68Å; F726-N769 VanDerWaalsContact N-ND2 3.14Å; F726-N769 VanDerWaalsContact O-CB 3.3Å; F726-N769 WeakPolarHBondContact O-CB 3.42Å; F726-N769 PolarHBondContact O-N 2.82Å; F726-N769 PolarHBondContact O-ND2 2.67Å; L758-N769 HydrophobicContact CB-CB 4.13Å; L758-N769 HydrophobicContact CD2-CB 4.13Å; L759-N769 HydrophobicContact CD2-CB 3.81Å; L759-N769 VanDerWaalsContact CD2-N 3.32Å; N769-K771 PolarHBondContact O-N 2.96Å; N769-K771 VanDerWaalsContact OD1-CA 3.28Å; N769-K771 WeakPolarHBondContact OD1-CA 3.46Å; N769-K771 WeakPolarHBondContact OD1-CB 3.21Å; N769-K771 PolarHBondContact OD1-N 2.84Å; N769-S772 WeakPolarHBondContact O-CB 3.47Å; N769-S772 PolarHBondContact O-N 3.46Å; N769-S772 VanDerWaalsContact O-N 3.13Å; N769-S772 PolarHBondContact OD1-N 2.96Å
770	L	96.1	Very high	96.4	Very high	60 Å²	60	35 Å²	35	31%	0.314	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.6	-178.3	-65.1	176.4	0	0	0	114.6	L758 Y775	L758-L770 PolarHBondContact O-N 3.04Å; L770-Y775 HydrophobicContact CD2-CD1 4.33Å; L770-Y775 HydrophobicContact CD2-CD2 4.14Å; L770-Y775 HydrophobicContact CD2-CE1 3.75Å; L770-Y775 HydrophobicContact CD2-CE2 3.53Å; L770-Y775 WeakPolarHBondContact CD2-OH 3.47Å
771	K	94.4	Very high	95.9	Very high	133 Å²	133	42.1 Å²	42.1	58%	0.578	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.7	-178	-57.2	-178.4	-177	178	0	112.6	E757 L758 N769	E757-K771 WeakPolarHBondContact OE2-CE 3.5Å; E757-K771 IonicContact OE2-NZ 3.66Å; E757-K771 PolarHBondContact OE2-NZ 2.85Å; L758-K771 HydrophobicContact CD2-CD 4.32Å; N769-K771 PolarHBondContact O-N 2.96Å; N769-K771 VanDerWaalsContact OD1-CA 3.28Å; N769-K771 WeakPolarHBondContact OD1-CA 3.46Å; N769-K771 WeakPolarHBondContact OD1-CB 3.21Å; N769-K771 PolarHBondContact OD1-N 2.84Å
772	S	94.9	Very high	95.4	Very high	8 Å²	8	48.2 Å²	48.2	6%	0.056	23%	0.234	C	C	.	.	S	Bend	trans	-65.6	139	176.5	173.8	0	0	0	0	110.2	S725 I768 N769 F774 Y775	S725-S772 PolarHBondContact OG-OG 3.03Å; I768-S772 WeakPolarHBondContact CD1-OG 3.47Å; N769-S772 WeakPolarHBondContact O-CB 3.47Å; N769-S772 PolarHBondContact O-N 3.46Å; N769-S772 VanDerWaalsContact O-N 3.13Å; N769-S772 PolarHBondContact OD1-N 2.96Å; S772-F774 PolarHBondContact O-N 2.83Å; S772-F774 PolarHBondContact OG-N 2.85Å; S772-F774 VanDerWaalsContact OG-N 3.08Å; S772-Y775 PolarHBondContact O-N 3.25Å; S772-Y775 VanDerWaalsContact O-N 3.16Å
773	P	92.8	Very high	95	Very high	68 Å²	68	46.6 Å²	46.6	44%	0.442	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.5	171.5	26.5	-34	0	0	0	113	T777	P773-T777 VanDerWaalsContact O-CG2 3.23Å; P773-T777 WeakPolarHBondContact O-CG2 3.33Å
774	F	95.6	Very high	94.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.8	179.6	-65.5	-82.5	0	0	0	114.3	L584 N585 P597 V690 S725 I768 S772 H776 T777	L584-F774 HydrophobicContact CD2-CD1 4.05Å; L584-F774 HydrophobicContact CD2-CE1 3.89Å; L584-F774 HydrophobicContact CG-CE1 4.03Å; N585-F774 HydrophobicContact CB-CE1 3.97Å; N585-F774 HydrophobicContact CB-CZ 4.45Å; P597-F774 HydrophobicContact CB-CB 4.21Å; P597-F774 HydrophobicContact CB-CD1 4.11Å; P597-F774 HydrophobicContact CB-CD2 3.51Å; P597-F774 HydrophobicContact CB-CE1 4.39Å; P597-F774 HydrophobicContact CB-CE2 3.84Å; P597-F774 HydrophobicContact CB-CG 3.66Å; P597-F774 HydrophobicContact CB-CZ 4.27Å; P597-F774 HydrophobicContact CG-CB 3.93Å; P597-F774 HydrophobicContact CG-CD2 3.84Å; P597-F774 HydrophobicContact CG-CG 3.92Å; V690-F774 HydrophobicContact CG2-CZ 4.28Å; S725-F774 WeakPolarHBondContact OG-CD2 3.45Å; I768-F774 HydrophobicContact CD1-CB 4.18Å; S772-F774 PolarHBondContact O-N 2.83Å; S772-F774 PolarHBondContact OG-N 2.85Å; S772-F774 VanDerWaalsContact OG-N 3.08Å; F774-H776 PolarHBondContact O-N 3.27Å; F774-T777 VanDerWaalsContact C-OG1 3.26Å; F774-T777 WeakPolarHBondContact CA-OG1 3.34Å; F774-T777 PolarHBondContact O-N 2.91Å; F774-T777 PolarHBondContact O-OG1 2.77Å
775	Y	96.7	Very high	94.6	Very high	38 Å²	38	48 Å²	48	15%	0.149	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	124.4	179.7	175.7	-101	0	0	0	111.3	I768 L770 S772 T777 D851 Q852	I768-Y775 HydrophobicContact CG2-CD2 4.03Å; L770-Y775 HydrophobicContact CD2-CD1 4.33Å; L770-Y775 HydrophobicContact CD2-CD2 4.14Å; L770-Y775 HydrophobicContact CD2-CE1 3.75Å; L770-Y775 HydrophobicContact CD2-CE2 3.53Å; L770-Y775 WeakPolarHBondContact CD2-OH 3.47Å; S772-Y775 PolarHBondContact O-N 3.25Å; S772-Y775 VanDerWaalsContact O-N 3.16Å; Y775-T777 PolarHBondContact O-N 3.07Å; Y775-D851 WeakPolarHBondContact CE2-OD2 3.36Å; Y775-D851 PolarHBondContact OH-OD1 3.28Å; Y775-D851 PolarHBondContact OH-OD2 2.96Å; Y775-Q852 PolarHBondContact OH-NE2 2.9Å
776	H	96	Very high	94.5	Very high	68 Å²	68	50.5 Å²	50.5	32%	0.315	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	22.1	-175.8	-75.8	-162.2	0	0	0	114.7	F774 R788 D851	F774-H776 PolarHBondContact O-N 3.27Å; H776-R788 PolarHBondContact N-O 3.11Å; H776-D851 IonicContact CE1-OD1 3.05Å; H776-D851 PolarHBondContact CE1-OD1 3.02Å; H776-D851 IonicContact NE2-OD1 3.73Å; H776-D851 PolarHBondContact NE2-OD1 2.91Å
777	T	95.1	Very high	94.5	Very high	35 Å²	35	49.7 Å²	49.7	22%	0.215	25%	0.249	C	C	.	.			trans	-88	133.4	177.6	63.6	0	0	0	0	112.2	P773 F774 Y775 R788	P773-T777 VanDerWaalsContact O-CG2 3.23Å; P773-T777 WeakPolarHBondContact O-CG2 3.33Å; F774-T777 VanDerWaalsContact C-OG1 3.26Å; F774-T777 WeakPolarHBondContact CA-OG1 3.34Å; F774-T777 PolarHBondContact O-N 2.91Å; F774-T777 PolarHBondContact O-OG1 2.77Å; Y775-T777 PolarHBondContact O-N 3.07Å; T777-R788 VanDerWaalsContact O-CD 3.27Å; T777-R788 WeakPolarHBondContact O-CD 3.49Å; T777-R788 PolarHBondContact O-NH1 3.09Å; T777-R788 VanDerWaalsContact O-NH1 3.09Å; T777-R788 PolarHBondContact OG1-NH1 3.33Å
778	H	95.4	Very high	94.5	Very high	95 Å²	95	49.7 Å²	49.7	44%	0.44	25%	0.25	S	C	.	.			trans	-64.2	142.7	169.6	-82.5	-115.8	0	0	0	111.2	T780 D783 P784	H778-T780 WeakPolarHBondContact CB-O 3.37Å; H778-D783 WeakPolarHBondContact CA-O 3.45Å; H778-P784 VanDerWaalsContact CE1-CA 3.49Å; H778-P784 WeakPolarHBondContact CE1-CA 3.2Å; H778-P784 WeakPolarHBondContact ND1-CA 3.33Å
779	N	95.4	Very high	94.5	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.25	C	C	.	.	S	Bend	trans	-86.7	-31.1	176.5	-156.7	38.9	0	0	0	112.7	Q583 L584 N585 L587 D783 R788	Q583-N779 CarbonylContact C-O 3.57Å; Q583-N779 WeakPolarHBondContact CA-O 3.5Å; L584-N779 PolarHBondContact N-O 3.11Å; L584-N779 PolarHBondContact N-OD1 3.22Å; N585-N779 PolarHBondContact N-OD1 3.33Å; N585-N779 PolarHBondContact O-ND2 2.98Å; N585-N779 PolarHBondContact O-OD1 3.28Å; L587-N779 VanDerWaalsContact CD2-ND2 3.31Å; L587-N779 WeakPolarHBondContact CD2-ND2 3.37Å; N779-D783 HydrophobicContact CB-CB 4.36Å; N779-D783 PolarHBondContact N-O 3.24Å; N779-R788 PolarHBondContact OD1-NH2 2.82Å
780	T	92.2	Very high	94.6	Very high	21 Å²	21	49.7 Å²	49.7	13%	0.129	25%	0.251	C	S	.	.	S	Bend	trans	-138.3	175	166.3	76	0	0	0	0	107.5	H582 Q583 H778 D782 D783	H582-T780 WeakPolarHBondContact O-CG2 3.47Å; Q583-T780 HydrophobicContact CB-CG2 4.48Å; Q583-T780 HydrophobicContact CG-CG2 3.81Å; H778-T780 WeakPolarHBondContact CB-O 3.37Å; T780-D782 PolarHBondContact O-N 3.07Å; T780-D782 VanDerWaalsContact O-N 3.15Å; T780-D782 PolarHBondContact OG1-N 3.45Å; T780-D783 WeakPolarHBondContact CB-OD2 3.33Å; T780-D783 HydrophobicContact CG2-CB 4.36Å; T780-D783 WeakPolarHBondContact CG2-OD2 3.35Å; T780-D783 PolarHBondContact O-N 2.8Å; T780-D783 VanDerWaalsContact OG1-CB 3.3Å; T780-D783 WeakPolarHBondContact OG1-CB 3.31Å; T780-D783 PolarHBondContact OG1-N 3Å; T780-D783 VanDerWaalsContact OG1-N 3.09Å; T780-D783 PolarHBondContact OG1-OD2 3.42Å
781	K	86.8	Confident	94.7	Very high	164 Å²	164	46.9 Å²	46.9	71%	0.713	24%	0.236	S	C	*	.	S	Bend	trans	-52.8	-38.3	175.9	-174.3	-177.3	174.9	-172.5	0	112.6	L709	L709-K781 HydrophobicContact CD1-CB 4.5Å
782	D	87.4	Confident	94.9	Very high	132 Å²	132	40.6 Å²	40.6	71%	0.706	21%	0.208	S	C	*	.	S	Bend	trans	-103.9	-4.1	-172.8	-54.9	-50.3	0	0	0	113.2	T780 P784	T780-D782 PolarHBondContact O-N 3.07Å; T780-D782 VanDerWaalsContact O-N 3.15Å; T780-D782 PolarHBondContact OG1-N 3.45Å; D782-P784 WeakPolarHBondContact O-CD 2.82Å
783	D	89.3	Confident	95.1	Very high	78 Å²	78	40.2 Å²	40.2	42%	0.417	21%	0.206	S	C	.	.			trans	-104	89.3	178.1	-62.9	-41.8	0	0	0	111.2	H778 N779 T780	H778-D783 WeakPolarHBondContact CA-O 3.45Å; N779-D783 HydrophobicContact CB-CB 4.36Å; N779-D783 PolarHBondContact N-O 3.24Å; T780-D783 WeakPolarHBondContact CB-OD2 3.33Å; T780-D783 HydrophobicContact CG2-CB 4.36Å; T780-D783 WeakPolarHBondContact CG2-OD2 3.35Å; T780-D783 PolarHBondContact O-N 2.8Å; T780-D783 VanDerWaalsContact OG1-CB 3.3Å; T780-D783 WeakPolarHBondContact OG1-CB 3.31Å; T780-D783 PolarHBondContact OG1-N 3Å; T780-D783 VanDerWaalsContact OG1-N 3.09Å; T780-D783 PolarHBondContact OG1-OD2 3.42Å
784	P	93.7	Very high	95.4	Very high	48 Å²	48	37 Å²	37	31%	0.312	19%	0.185	S	C	.	.			trans	-65.1	153.5	176.2	26.1	-35.9	0	0	0	112.9	H778 D782 R858	H778-P784 VanDerWaalsContact CE1-CA 3.49Å; H778-P784 WeakPolarHBondContact CE1-CA 3.2Å; H778-P784 WeakPolarHBondContact ND1-CA 3.33Å; D782-P784 WeakPolarHBondContact O-CD 2.82Å; P784-R858 VanDerWaalsContact CG-NH1 3.32Å; P784-R858 VanDerWaalsContact CG-NH2 3.27Å; P784-R858 PolarHBondContact O-NH2 2.82Å
785	P	95.6	Very high	95.5	Very high	25 Å²	25	36.9 Å²	36.9	16%	0.162	18%	0.184	C	C	.	.			trans	-55.5	139.3	-177.5	23.8	-35.6	0	0	0	112.8	R788 R858	P785-R788 HydrophobicContact CB-CB 3.8Å; P785-R858 PolarHBondContact O-NH2 3.34Å
786	Y	96.6	Very high	95.6	Very high	52 Å²	52	35 Å²	35	20%	0.204	18%	0.177	C	C	.	.	S	Bend	trans	-119.5	-72.4	-179.2	-149.4	-172.2	0	0	0	110.6	D595 R788 W792 E847 Q848 R858	D595-Y786 WeakPolarHBondContact OD1-CB 3.39Å; D595-Y786 PolarHBondContact OD2-N 2.9Å; Y786-R788 PolarHBondContact O-N 3.1Å; Y786-W792 HydrophobicContact CD1-CH2 4.47Å; Y786-W792 AromaticContact CD2-CH2 3.5Å; Y786-W792 HydrophobicContact CD2-CH2 3.5Å; Y786-W792 VanDerWaalsContact CD2-CH2 3.5Å; Y786-W792 AromaticContact CD2-CZ2 3.41Å; Y786-W792 HydrophobicContact CD2-CZ2 3.41Å; Y786-W792 VanDerWaalsContact CD2-CZ2 3.41Å; Y786-W792 HydrophobicContact CE1-CH2 4.28Å; Y786-W792 AromaticContact CE2-CH2 3.24Å; Y786-W792 HydrophobicContact CE2-CH2 3.24Å; Y786-W792 AromaticContact CE2-CZ2 3.67Å; Y786-W792 HydrophobicContact CE2-CZ2 3.67Å; Y786-W792 HydrophobicContact CE2-CZ3 4.31Å; Y786-W792 HydrophobicContact CG-CH2 4.13Å; Y786-W792 AromaticContact CG-CZ2 3.98Å; Y786-W792 HydrophobicContact CG-CZ2 3.98Å; Y786-W792 AromaticContact CZ-CH2 3.69Å; Y786-W792 PolarHBondContact O-NE1 2.89Å; Y786-E847 PolarHBondContact OH-OE1 3.23Å; Y786-E847 PolarHBondContact OH-OE2 3.28Å; Y786-Q848 PolarHBondContact O-OE1 2.9Å; Y786-R858 HydrophobicContact CD2-CG 4.29Å; Y786-R858 HydrophobicContact CE2-CB 4.34Å; Y786-R858 HydrophobicContact CE2-CG 3.89Å
787	W	98.2	Very high	95.7	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.015	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	27.3	174.3	-62.2	91.5	0	0	0	112.8	W454 G592 L593 D595 F596 Y728 S767 W792 I795	W454-W787 AromaticContact CH2-CH2 3.88Å; W454-W787 HydrophobicContact CH2-CH2 3.88Å; W454-W787 AromaticContact CH2-CZ2 3.99Å; W454-W787 HydrophobicContact CH2-CZ2 3.99Å; W454-W787 HydrophobicContact CZ2-CH2 4.44Å; W454-W787 HydrophobicContact CZ2-CZ2 4.13Å; G592-W787 VanDerWaalsContact O-CZ2 3.32Å; G592-W787 WeakPolarHBondContact O-CZ2 3.49Å; G592-W787 PolarHBondContact O-NE1 3.25Å; L593-W787 HydrophobicContact CB-CD2 4.19Å; L593-W787 HydrophobicContact CB-CG 4.21Å; L593-W787 HydrophobicContact CD2-CD2 4.49Å; L593-W787 HydrophobicContact CD2-CE3 4.07Å; L593-W787 HydrophobicContact CD2-CZ3 4.42Å; L593-W787 HydrophobicContact CG-CD2 4.08Å; L593-W787 HydrophobicContact CG-CE3 4.04Å; L593-W787 HydrophobicContact CG-CZ3 4.3Å; D595-W787 WeakPolarHBondContact OD1-CA 3.18Å; D595-W787 WeakPolarHBondContact OD1-CB 3.47Å; D595-W787 PolarHBondContact OD1-N 3.05Å; F596-W787 HydrophobicContact CB-CB 4.16Å; Y728-W787 AromaticContact CD2-CE3 3.89Å; Y728-W787 HydrophobicContact CD2-CE3 3.89Å; Y728-W787 AromaticContact CD2-CZ3 3.88Å; Y728-W787 HydrophobicContact CD2-CZ3 3.88Å; Y728-W787 HydrophobicContact CE2-CE3 4.06Å; Y728-W787 AromaticContact CE2-CZ3 3.86Å; Y728-W787 HydrophobicContact CE2-CZ3 3.86Å; S767-W787 WeakPolarHBondContact CB-O 3.2Å; S767-W787 VanDerWaalsContact OG-C 3.27Å; S767-W787 PolarHBondContact OG-O 2.81Å; W787-W792 HydrophobicContact CD2-CD2 4.25Å; W787-W792 AromaticContact CD2-CE2 3.7Å; W787-W792 HydrophobicContact CD2-CH2 4.31Å; W787-W792 AromaticContact CD2-CZ2 3.74Å; W787-W792 HydrophobicContact CD2-CZ2 3.74Å; W787-W792 AromaticContact CD2-NE1 3.91Å; W787-W792 AromaticContact CE2-CE2 3.77Å; W787-W792 AromaticContact CE2-CH2 3.6Å; W787-W792 AromaticContact CE2-CZ2 3.5Å; W787-W792 VanDerWaalsContact CE2-CZ2 3.5Å; W787-W792 AromaticContact CE2-CZ3 3.98Å; W787-W792 AromaticContact CE3-CD1 3.68Å; W787-W792 AromaticContact CE3-CD2 3.92Å; W787-W792 HydrophobicContact CE3-CD2 3.92Å; W787-W792 AromaticContact CE3-CE2 3.68Å; W787-W792 AromaticContact CE3-CG 3.88Å; W787-W792 HydrophobicContact CE3-CG 3.88Å; W787-W792 HydrophobicContact CE3-CZ2 4.21Å; W787-W792 AromaticContact CE3-NE1 3.59Å; W787-W792 HydrophobicContact CG-CZ2 4.15Å; W787-W792 HydrophobicContact CH2-CB 4.03Å; W787-W792 AromaticContact CH2-CD2 3.33Å; W787-W792 HydrophobicContact CH2-CD2 3.33Å; W787-W792 AromaticContact CH2-CE2 3.82Å; W787-W792 AromaticContact CH2-CE3 3.36Å; W787-W792 HydrophobicContact CH2-CE3 3.36Å; W787-W792 AromaticContact CH2-CG 3.66Å; W787-W792 HydrophobicContact CH2-CG 3.66Å; W787-W792 HydrophobicContact CH2-CH2 4.24Å; W787-W792 HydrophobicContact CH2-CZ2 4.25Å; W787-W792 AromaticContact CH2-CZ3 3.83Å; W787-W792 HydrophobicContact CH2-CZ3 3.83Å; W787-W792 AromaticContact CZ2-CD2 3.71Å; W787-W792 HydrophobicContact CZ2-CD2 3.71Å; W787-W792 AromaticContact CZ2-CE2 3.86Å; W787-W792 AromaticContact CZ2-CE3 3.51Å; W787-W792 HydrophobicContact CZ2-CE3 3.51Å; W787-W792 HydrophobicContact CZ2-CG 4.46Å; W787-W792 AromaticContact CZ2-CH2 3.57Å; W787-W792 HydrophobicContact CZ2-CH2 3.57Å; W787-W792 AromaticContact CZ2-CZ2 3.79Å; W787-W792 HydrophobicContact CZ2-CZ2 3.79Å; W787-W792 AromaticContact CZ2-CZ3 3.43Å; W787-W792 HydrophobicContact CZ2-CZ3 3.43Å; W787-W792 VanDerWaalsContact CZ2-CZ3 3.43Å; W787-W792 HydrophobicContact CZ3-CB 3.74Å; W787-W792 AromaticContact CZ3-CD1 3.6Å; W787-W792 AromaticContact CZ3-CD2 3.45Å; W787-W792 HydrophobicContact CZ3-CD2 3.45Å; W787-W792 VanDerWaalsContact CZ3-CD2 3.45Å; W787-W792 AromaticContact CZ3-CE2 3.75Å; W787-W792 HydrophobicContact CZ3-CE3 4.01Å; W787-W792 AromaticContact CZ3-CG 3.33Å; W787-W792 HydrophobicContact CZ3-CG 3.33Å; W787-W792 HydrophobicContact CZ3-CZ2 4.45Å; W787-W792 AromaticContact CZ3-NE1 3.86Å; W787-W792 AromaticContact NE1-CH2 3.76Å; W787-W792 AromaticContact NE1-CZ2 3.75Å; W787-I795 HydrophobicContact CZ3-CG1 4.12Å
788	R	97.8	Very high	95.9	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	38.7	-174.8	-68.5	-179.4	179.8	-178.1	6.3	113.4	D595 H776 T777 N779 P785 Y786	D595-R788 PolarHBondContact O-NE 3Å; D595-R788 PolarHBondContact O-NH2 3.01Å; D595-R788 WeakPolarHBondContact OD2-CD 3Å; D595-R788 WeakPolarHBondContact OD2-CG 3.47Å; D595-R788 IonicContact OD2-NE 2.82Å; H776-R788 PolarHBondContact N-O 3.11Å; T777-R788 VanDerWaalsContact O-CD 3.27Å; T777-R788 WeakPolarHBondContact O-CD 3.49Å; T777-R788 PolarHBondContact O-NH1 3.09Å; T777-R788 VanDerWaalsContact O-NH1 3.09Å; T777-R788 PolarHBondContact OG1-NH1 3.33Å; N779-R788 PolarHBondContact OD1-NH2 2.82Å; P785-R788 HydrophobicContact CB-CB 3.8Å; Y786-R788 PolarHBondContact O-N 3.1Å
789	G	97.6	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	145.7	-33.3	171.1	0	0	0	0	0	113.8	R766 S767 D851	R766-G789 WeakPolarHBondContact CB-O 3.42Å; S767-G789 VanDerWaalsContact OG-C 3.25Å; S767-G789 WeakPolarHBondContact OG-CA 3.23Å; S767-G789 PolarHBondContact OG-N 2.79Å; G789-D851 WeakPolarHBondContact O-CB 3.44Å
790	A	98.4	Very high	96.2	Very high	7 Å²	7	26.8 Å²	26.8	6%	0.058	14%	0.136	C	C	.	.			trans	-60.5	158.1	-179.6	0	0	0	0	0	112.7	S767 W792 Q848	S767-A790 VanDerWaalsContact CB-O 3.28Å; S767-A790 WeakPolarHBondContact CB-O 3.31Å; S767-A790 PolarHBondContact N-O 2.94Å; S767-A790 PolarHBondContact OG-N 2.68Å; S767-A790 PolarHBondContact OG-O 2.98Å; A790-W792 VanDerWaalsContact O-CD1 3.32Å; A790-Q848 HydrophobicContact CB-CB 4.2Å; A790-Q848 VanDerWaalsContact CB-CD 3.42Å; A790-Q848 HydrophobicContact CB-CG 4.06Å
791	I	98.7	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-98.4	127.6	-178.4	-62.3	163	0	0	0	109.1	S761 F763 L831 Q848 Y849 D851	S761-I791 WeakPolarHBondContact OG-CD1 3.29Å; F763-I791 HydrophobicContact CB-CD1 3.49Å; F763-I791 VanDerWaalsContact CB-CD1 3.49Å; I791-L831 HydrophobicContact CG2-CD2 4.15Å; I791-Q848 WeakPolarHBondContact O-CA 3.13Å; I791-Y849 PolarHBondContact N-O 3.42Å; I791-Y849 PolarHBondContact O-N 2.82Å; I791-D851 HydrophobicContact CD1-CB 4.1Å; I791-D851 HydrophobicContact CG1-CB 4.13Å
792	W	98.8	Very high	97	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.102	C	C	.	.			trans	-120.7	131	-178.4	-60.1	74.3	0	0	0	111.3	Y728 Y786 W787 A790 N794 N796 E847 Q848 W865	Y728-W792 HydrophobicContact CE2-CB 4.04Å; Y728-W792 AromaticContact CE2-CD1 3.87Å; Y728-W792 HydrophobicContact CE2-CG 4.24Å; Y728-W792 PolarHBondContact OH-N 2.83Å; Y728-W792 VanDerWaalsContact OH-N 3.12Å; Y786-W792 HydrophobicContact CD1-CH2 4.47Å; Y786-W792 AromaticContact CD2-CH2 3.5Å; Y786-W792 HydrophobicContact CD2-CH2 3.5Å; Y786-W792 VanDerWaalsContact CD2-CH2 3.5Å; Y786-W792 AromaticContact CD2-CZ2 3.41Å; Y786-W792 HydrophobicContact CD2-CZ2 3.41Å; Y786-W792 VanDerWaalsContact CD2-CZ2 3.41Å; Y786-W792 HydrophobicContact CE1-CH2 4.28Å; Y786-W792 AromaticContact CE2-CH2 3.24Å; Y786-W792 HydrophobicContact CE2-CH2 3.24Å; Y786-W792 AromaticContact CE2-CZ2 3.67Å; Y786-W792 HydrophobicContact CE2-CZ2 3.67Å; Y786-W792 HydrophobicContact CE2-CZ3 4.31Å; Y786-W792 HydrophobicContact CG-CH2 4.13Å; Y786-W792 AromaticContact CG-CZ2 3.98Å; Y786-W792 HydrophobicContact CG-CZ2 3.98Å; Y786-W792 AromaticContact CZ-CH2 3.69Å; Y786-W792 PolarHBondContact O-NE1 2.89Å; W787-W792 HydrophobicContact CD2-CD2 4.25Å; W787-W792 AromaticContact CD2-CE2 3.7Å; W787-W792 HydrophobicContact CD2-CH2 4.31Å; W787-W792 AromaticContact CD2-CZ2 3.74Å; W787-W792 HydrophobicContact CD2-CZ2 3.74Å; W787-W792 AromaticContact CD2-NE1 3.91Å; W787-W792 AromaticContact CE2-CE2 3.77Å; W787-W792 AromaticContact CE2-CH2 3.6Å; W787-W792 AromaticContact CE2-CZ2 3.5Å; W787-W792 VanDerWaalsContact CE2-CZ2 3.5Å; W787-W792 AromaticContact CE2-CZ3 3.98Å; W787-W792 AromaticContact CE3-CD1 3.68Å; W787-W792 AromaticContact CE3-CD2 3.92Å; W787-W792 HydrophobicContact CE3-CD2 3.92Å; W787-W792 AromaticContact CE3-CE2 3.68Å; W787-W792 AromaticContact CE3-CG 3.88Å; W787-W792 HydrophobicContact CE3-CG 3.88Å; W787-W792 HydrophobicContact CE3-CZ2 4.21Å; W787-W792 AromaticContact CE3-NE1 3.59Å; W787-W792 HydrophobicContact CG-CZ2 4.15Å; W787-W792 HydrophobicContact CH2-CB 4.03Å; W787-W792 AromaticContact CH2-CD2 3.33Å; W787-W792 HydrophobicContact CH2-CD2 3.33Å; W787-W792 AromaticContact CH2-CE2 3.82Å; W787-W792 AromaticContact CH2-CE3 3.36Å; W787-W792 HydrophobicContact CH2-CE3 3.36Å; W787-W792 AromaticContact CH2-CG 3.66Å; W787-W792 HydrophobicContact CH2-CG 3.66Å; W787-W792 HydrophobicContact CH2-CH2 4.24Å; W787-W792 HydrophobicContact CH2-CZ2 4.25Å; W787-W792 AromaticContact CH2-CZ3 3.83Å; W787-W792 HydrophobicContact CH2-CZ3 3.83Å; W787-W792 AromaticContact CZ2-CD2 3.71Å; W787-W792 HydrophobicContact CZ2-CD2 3.71Å; W787-W792 AromaticContact CZ2-CE2 3.86Å; W787-W792 AromaticContact CZ2-CE3 3.51Å; W787-W792 HydrophobicContact CZ2-CE3 3.51Å; W787-W792 HydrophobicContact CZ2-CG 4.46Å; W787-W792 AromaticContact CZ2-CH2 3.57Å; W787-W792 HydrophobicContact CZ2-CH2 3.57Å; W787-W792 AromaticContact CZ2-CZ2 3.79Å; W787-W792 HydrophobicContact CZ2-CZ2 3.79Å; W787-W792 AromaticContact CZ2-CZ3 3.43Å; W787-W792 HydrophobicContact CZ2-CZ3 3.43Å; W787-W792 VanDerWaalsContact CZ2-CZ3 3.43Å; W787-W792 HydrophobicContact CZ3-CB 3.74Å; W787-W792 AromaticContact CZ3-CD1 3.6Å; W787-W792 AromaticContact CZ3-CD2 3.45Å; W787-W792 HydrophobicContact CZ3-CD2 3.45Å; W787-W792 VanDerWaalsContact CZ3-CD2 3.45Å; W787-W792 AromaticContact CZ3-CE2 3.75Å; W787-W792 HydrophobicContact CZ3-CE3 4.01Å; W787-W792 AromaticContact CZ3-CG 3.33Å; W787-W792 HydrophobicContact CZ3-CG 3.33Å; W787-W792 HydrophobicContact CZ3-CZ2 4.45Å; W787-W792 AromaticContact CZ3-NE1 3.86Å; W787-W792 AromaticContact NE1-CH2 3.76Å; W787-W792 AromaticContact NE1-CZ2 3.75Å; A790-W792 VanDerWaalsContact O-CD1 3.32Å; W792-N794 VanDerWaalsContact CB-OD1 3.26Å; W792-N794 WeakPolarHBondContact CB-OD1 3.45Å; W792-N796 WeakPolarHBondContact O-CB 3.31Å; W792-N796 PolarHBondContact O-N 2.87Å; W792-N796 VanDerWaalsContact O-N 3.11Å; W792-N796 PolarHBondContact O-ND2 2.6Å; W792-E847 HydrophobicContact CE3-CG 4.41Å; W792-E847 HydrophobicContact CH2-CG 4.34Å; W792-E847 HydrophobicContact CZ3-CG 3.77Å; W792-Q848 HydrophobicContact CD2-CB 3.93Å; W792-Q848 HydrophobicContact CE3-CB 4.27Å; W792-Q848 HydrophobicContact CG-CB 4.37Å; W792-Q848 HydrophobicContact CZ2-CB 4.29Å; W792-W865 AromaticContact CE3-CE2 3.9Å; W792-W865 HydrophobicContact CE3-CH2 4.09Å; W792-W865 AromaticContact CE3-CZ2 3.34Å; W792-W865 HydrophobicContact CE3-CZ2 3.34Å; W792-W865 AromaticContact CZ3-CH2 3.78Å; W792-W865 HydrophobicContact CZ3-CH2 3.78Å; W792-W865 AromaticContact CZ3-CZ2 3.28Å; W792-W865 HydrophobicContact CZ3-CZ2 3.28Å
793	I	98.8	Very high	97.6	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-72.7	-32.4	-170.3	-58.7	-57.7	0	0	0	112.5	N796 Y797 L831 V835 Y849 T866 L868 I872	I793-N796 PolarHBondContact O-N 3Å; I793-Y797 WeakPolarHBondContact O-CB 3.16Å; I793-Y797 PolarHBondContact O-N 2.86Å; I793-L831 HydrophobicContact CD1-CD2 3.86Å; I793-V835 HydrophobicContact CD1-CG2 3.77Å; I793-V835 HydrophobicContact CG1-CG2 4.35Å; I793-Y849 HydrophobicContact CD1-CD2 4.19Å; I793-Y849 HydrophobicContact CD1-CE2 3.99Å; I793-Y849 HydrophobicContact CG1-CD2 4.32Å; I793-Y849 HydrophobicContact CG1-CE2 3.82Å; I793-T866 HydrophobicContact CG1-CG2 4.18Å; I793-L868 HydrophobicContact CG2-CB 4.12Å; I793-I872 HydrophobicContact CG2-CD1 4.16Å
794	N	98.6	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.6	-51.4	173.7	51.5	-4.1	0	0	0	113.2	W454 F458 W792 Y797 L798 W865 L868	W454-N794 WeakPolarHBondContact CH2-ND2 3.27Å; W454-N794 WeakPolarHBondContact CZ3-ND2 3.44Å; F458-N794 HydrophobicContact CD1-CB 3.95Å; F458-N794 HydrophobicContact CD2-CB 4.09Å; F458-N794 HydrophobicContact CE1-CB 3.84Å; F458-N794 HydrophobicContact CE2-CB 4Å; F458-N794 HydrophobicContact CG-CB 4.06Å; F458-N794 HydrophobicContact CZ-CB 3.87Å; W792-N794 VanDerWaalsContact CB-OD1 3.26Å; W792-N794 WeakPolarHBondContact CB-OD1 3.45Å; N794-Y797 WeakPolarHBondContact O-CB 3.29Å; N794-Y797 PolarHBondContact O-N 2.89Å; N794-L798 PolarHBondContact O-N 2.81Å; N794-W865 HydrophobicContact CB-CB 3.77Å; N794-W865 HydrophobicContact CB-CD2 3.93Å; N794-W865 HydrophobicContact CB-CE3 4.21Å; N794-W865 HydrophobicContact CB-CG 3.72Å; N794-L868 HydrophobicContact CB-CD1 4.37Å
795	I	98.8	Very high	98.1	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-73.4	-37.6	-179.1	-55.3	-55.2	0	0	0	110.9	Y728 F732 L735 W787 Y797 L798 A799	Y728-I795 HydrophobicContact CD1-CB 4.36Å; Y728-I795 HydrophobicContact CD1-CG2 3.6Å; Y728-I795 HydrophobicContact CD2-CB 3.8Å; Y728-I795 HydrophobicContact CD2-CG1 3.62Å; Y728-I795 HydrophobicContact CD2-CG2 3.77Å; Y728-I795 HydrophobicContact CE1-CB 4.31Å; Y728-I795 HydrophobicContact CE1-CG2 3.89Å; Y728-I795 HydrophobicContact CE2-CB 3.73Å; Y728-I795 HydrophobicContact CE2-CG1 3.84Å; Y728-I795 HydrophobicContact CE2-CG2 4.04Å; Y728-I795 HydrophobicContact CG-CB 4.12Å; Y728-I795 HydrophobicContact CG-CG1 4.22Å; Y728-I795 HydrophobicContact CG-CG2 3.54Å; F732-I795 HydrophobicContact CZ-CD1 4.43Å; L735-I795 HydrophobicContact CD1-CG2 3.67Å; L735-I795 HydrophobicContact CD2-CG2 4.17Å; W787-I795 HydrophobicContact CZ3-CG1 4.12Å; I795-Y797 VanDerWaalsContact C-N 3.31Å; I795-Y797 PolarHBondContact O-N 2.76Å; I795-L798 HydrophobicContact CD1-CD1 4.36Å; I795-L798 PolarHBondContact O-N 2.97Å; I795-A799 PolarHBondContact O-N 2.89Å
796	N	98.8	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.8	-35.8	174	-85.8	-91.7	0	0	0	112.4	Y728 L765 W792 I793 A799 V800 L831	Y728-N796 PolarHBondContact OH-ND2 2.73Å; Y728-N796 VanDerWaalsContact OH-ND2 3.09Å; L765-N796 VanDerWaalsContact CB-OD1 3.31Å; L765-N796 WeakPolarHBondContact CB-OD1 3.38Å; L765-N796 WeakPolarHBondContact CG-OD1 3.43Å; L765-N796 PolarHBondContact N-OD1 2.85Å; L765-N796 PolarHBondContact O-ND2 3.01Å; W792-N796 WeakPolarHBondContact O-CB 3.31Å; W792-N796 PolarHBondContact O-N 2.87Å; W792-N796 VanDerWaalsContact O-N 3.11Å; W792-N796 PolarHBondContact O-ND2 2.6Å; I793-N796 PolarHBondContact O-N 3Å; N796-A799 PolarHBondContact O-N 2.82Å; N796-V800 WeakPolarHBondContact O-CG2 3.5Å; N796-V800 PolarHBondContact O-N 2.65Å; N796-L831 HydrophobicContact CB-CD1 3.75Å; N796-L831 HydrophobicContact CB-CD2 3.92Å
797	Y	98.7	Very high	98.4	Very high	18 Å²	18	9.5 Å²	9.5	7%	0.071	4%	0.044	C	C	.	.	H	α-helix	trans	-59.5	-49.8	171	164.6	-94.8	0	0	0	110.9	L461 I793 N794 I795 A799 V800 Q801 L868 L871 I872	L461-Y797 HydrophobicContact CD1-CD1 4.18Å; L461-Y797 HydrophobicContact CD1-CE1 3.36Å; I793-Y797 WeakPolarHBondContact O-CB 3.16Å; I793-Y797 PolarHBondContact O-N 2.86Å; N794-Y797 WeakPolarHBondContact O-CB 3.29Å; N794-Y797 PolarHBondContact O-N 2.89Å; I795-Y797 VanDerWaalsContact C-N 3.31Å; I795-Y797 PolarHBondContact O-N 2.76Å; Y797-A799 VanDerWaalsContact C-N 3.26Å; Y797-A799 PolarHBondContact O-N 2.8Å; Y797-V800 PolarHBondContact O-N 2.92Å; Y797-Q801 HydrophobicContact CD1-CG 4.44Å; Y797-Q801 HydrophobicContact CD2-CG 4.05Å; Y797-Q801 HydrophobicContact CE1-CG 3.99Å; Y797-Q801 HydrophobicContact CE2-CG 3.58Å; Y797-Q801 VanDerWaalsContact CE2-NE2 3.33Å; Y797-Q801 HydrophobicContact CG-CG 4.45Å; Y797-Q801 WeakPolarHBondContact O-CB 3.46Å; Y797-Q801 VanDerWaalsContact O-CG 3.31Å; Y797-Q801 WeakPolarHBondContact O-CG 3.43Å; Y797-Q801 PolarHBondContact O-N 2.85Å; Y797-L868 HydrophobicContact CD1-CD1 3.96Å; Y797-L868 HydrophobicContact CD1-CD2 4.2Å; Y797-L868 HydrophobicContact CD2-CB 4.02Å; Y797-L868 HydrophobicContact CD2-CD2 4.07Å; Y797-L868 HydrophobicContact CD2-CG 4.45Å; Y797-L868 HydrophobicContact CE1-CD2 4.33Å; Y797-L868 HydrophobicContact CE2-CD2 4.17Å; Y797-L868 HydrophobicContact CG-CB 4.04Å; Y797-L868 HydrophobicContact CG-CD1 3.83Å; Y797-L868 HydrophobicContact CG-CD2 4.09Å; Y797-L868 HydrophobicContact CG-CG 4.23Å; Y797-L871 HydrophobicContact CD2-CB 4.16Å; Y797-L871 HydrophobicContact CE2-CB 3.62Å; Y797-L871 HydrophobicContact CE2-CD1 3.77Å; Y797-L871 HydrophobicContact CE2-CG 4.3Å; Y797-I872 HydrophobicContact CD2-CG1 3.93Å
798	L	98.6	Very high	98.3	Very high	9 Å²	9	15.3 Å²	15.3	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-59	-40.3	176.9	-65.6	177.7	0	0	0	111.4	F458 L521 L735 L736 N794 I795 Q801 S802	F458-L798 HydrophobicContact CE1-CD1 4.03Å; F458-L798 HydrophobicContact CE1-CD2 4.24Å; F458-L798 HydrophobicContact CE1-CG 4.05Å; F458-L798 HydrophobicContact CZ-CD1 4.12Å; L521-L798 HydrophobicContact CD1-CD2 4.44Å; L521-L798 HydrophobicContact CD2-CD2 4.31Å; L735-L798 HydrophobicContact CB-CB 4.14Å; L735-L798 HydrophobicContact CD2-CB 4.1Å; L736-L798 HydrophobicContact CD2-CD1 4.01Å; L736-L798 HydrophobicContact CD2-CD2 4.38Å; N794-L798 PolarHBondContact O-N 2.81Å; I795-L798 HydrophobicContact CD1-CD1 4.36Å; I795-L798 PolarHBondContact O-N 2.97Å; L798-Q801 PolarHBondContact O-N 2.92Å; L798-S802 VanDerWaalsContact O-CB 3.24Å; L798-S802 WeakPolarHBondContact O-CB 3.36Å; L798-S802 PolarHBondContact O-N 2.8Å
799	A	98.7	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-49.4	176.2	0	0	0	0	0	112	F734 L735 L765 I795 N796 Y797 Q801 S802 L803 L827	F734-A799 HydrophobicContact CE1-CB 4.37Å; L735-A799 HydrophobicContact CD2-CB 3.71Å; L765-A799 HydrophobicContact CD1-CB 3.55Å; I795-A799 PolarHBondContact O-N 2.89Å; N796-A799 PolarHBondContact O-N 2.82Å; Y797-A799 VanDerWaalsContact C-N 3.26Å; Y797-A799 PolarHBondContact O-N 2.8Å; A799-Q801 VanDerWaalsContact C-N 3.33Å; A799-Q801 PolarHBondContact O-N 2.94Å; A799-S802 PolarHBondContact O-N 3.45Å; A799-L803 WeakPolarHBondContact O-CB 3.5Å; A799-L803 VanDerWaalsContact O-CG 3.27Å; A799-L803 WeakPolarHBondContact O-CG 3.44Å; A799-L803 PolarHBondContact O-N 3.35Å; A799-L827 HydrophobicContact CB-CD2 4.27Å
800	V	98.5	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-44.8	177.3	170.8	0	0	0	0	111	N796 Y797 S802 L803 R804 L827 L831	N796-V800 WeakPolarHBondContact O-CG2 3.5Å; N796-V800 PolarHBondContact O-N 2.65Å; Y797-V800 PolarHBondContact O-N 2.92Å; V800-S802 VanDerWaalsContact C-N 3.34Å; V800-S802 PolarHBondContact O-N 2.84Å; V800-L803 PolarHBondContact O-N 3.01Å; V800-R804 WeakPolarHBondContact O-CG 3.47Å; V800-R804 PolarHBondContact O-N 3.14Å; V800-L827 HydrophobicContact CG2-CB 4.23Å; V800-L827 HydrophobicContact CG2-CD2 3.69Å; V800-L827 HydrophobicContact CG2-CG 3.79Å; V800-L831 HydrophobicContact CG2-CD1 4.12Å
801	Q	97.8	Very high	98.3	Very high	28 Å²	28	29.5 Å²	29.5	13%	0.131	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-36.7	178.9	-68.6	-63.4	-8	0	0	112.8	Y797 L798 A799 Y805 D875	Y797-Q801 HydrophobicContact CD1-CG 4.44Å; Y797-Q801 HydrophobicContact CD2-CG 4.05Å; Y797-Q801 HydrophobicContact CE1-CG 3.99Å; Y797-Q801 HydrophobicContact CE2-CG 3.58Å; Y797-Q801 VanDerWaalsContact CE2-NE2 3.33Å; Y797-Q801 HydrophobicContact CG-CG 4.45Å; Y797-Q801 WeakPolarHBondContact O-CB 3.46Å; Y797-Q801 VanDerWaalsContact O-CG 3.31Å; Y797-Q801 WeakPolarHBondContact O-CG 3.43Å; Y797-Q801 PolarHBondContact O-N 2.85Å; L798-Q801 PolarHBondContact O-N 2.92Å; A799-Q801 VanDerWaalsContact C-N 3.33Å; A799-Q801 PolarHBondContact O-N 2.94Å; Q801-Y805 WeakPolarHBondContact O-CB 3.31Å; Q801-Y805 PolarHBondContact O-N 3.13Å; Q801-D875 PolarHBondContact NE2-OD2 2.95Å
802	S	98.2	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.4	-44.5	174.9	-173.1	0	0	0	0	111.7	F734 L798 A799 V800 R804 Y805 Y806	F734-S802 WeakPolarHBondContact CE2-OG 3.28Å; F734-S802 WeakPolarHBondContact CZ-OG 3.32Å; F734-S802 WeakPolarHBondContact O-CB 3.23Å; F734-S802 PolarHBondContact O-OG 2.89Å; L798-S802 VanDerWaalsContact O-CB 3.24Å; L798-S802 WeakPolarHBondContact O-CB 3.36Å; L798-S802 PolarHBondContact O-N 2.8Å; A799-S802 PolarHBondContact O-N 3.45Å; V800-S802 VanDerWaalsContact C-N 3.34Å; V800-S802 PolarHBondContact O-N 2.84Å; S802-R804 VanDerWaalsContact C-N 3.32Å; S802-R804 PolarHBondContact O-N 2.87Å; S802-Y805 WeakPolarHBondContact O-CB 3.34Å; S802-Y805 PolarHBondContact O-N 3.33Å; S802-Y805 VanDerWaalsContact O-N 3.13Å; S802-Y806 WeakPolarHBondContact O-CD2 3.42Å; S802-Y806 PolarHBondContact O-N 2.86Å; S802-Y806 WeakPolarHBondContact OG-CE2 3.46Å
803	L	98.6	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-45.6	173.5	-70.4	170.5	0	0	0	111.3	F734 L750 L753 A799 V800 Y805 Y806 A807 A820 L823 A824 L827	F734-L803 HydrophobicContact CE2-CD2 4.24Å; F734-L803 HydrophobicContact CZ-CD2 3.66Å; F734-L803 HydrophobicContact CZ-CG 3.76Å; L750-L803 HydrophobicContact CD2-CD2 3.62Å; L753-L803 HydrophobicContact CD2-CD1 4.17Å; L753-L803 HydrophobicContact CD2-CD2 3.94Å; L753-L803 HydrophobicContact CD2-CG 4.38Å; A799-L803 WeakPolarHBondContact O-CB 3.5Å; A799-L803 VanDerWaalsContact O-CG 3.27Å; A799-L803 WeakPolarHBondContact O-CG 3.44Å; A799-L803 PolarHBondContact O-N 3.35Å; V800-L803 PolarHBondContact O-N 3.01Å; L803-Y805 PolarHBondContact O-N 3.5Å; L803-Y806 PolarHBondContact O-N 2.85Å; L803-A807 WeakPolarHBondContact O-CB 3.37Å; L803-A807 PolarHBondContact O-N 3.3Å; L803-A820 HydrophobicContact CD2-CB 4.34Å; L803-L823 HydrophobicContact CD1-CB 3.81Å; L803-L823 HydrophobicContact CD2-CB 3.94Å; L803-L823 HydrophobicContact CD2-CD1 4.24Å; L803-L823 HydrophobicContact CG-CB 4.49Å; L803-A824 HydrophobicContact CB-CB 3.72Å; L803-A824 HydrophobicContact CD1-CB 4.39Å; L803-L827 HydrophobicContact CD1-CD2 4.24Å
804	R	97.9	Very high	98.2	Very high	40 Å²	40	38.6 Å²	38.6	15%	0.151	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-41.4	175.5	-74.2	175.7	178.8	156.7	1	112.6	V800 S802 A807 H808 A824 T828 I872 D875	V800-R804 WeakPolarHBondContact O-CG 3.47Å; V800-R804 PolarHBondContact O-N 3.14Å; S802-R804 VanDerWaalsContact C-N 3.32Å; S802-R804 PolarHBondContact O-N 2.87Å; R804-A807 PolarHBondContact O-N 2.93Å; R804-H808 PolarHBondContact O-N 2.89Å; R804-H808 PolarHBondContact O-ND1 3.01Å; R804-A824 HydrophobicContact CG-CB 4.05Å; R804-T828 PolarHBondContact NH2-OG1 3.4Å; R804-I872 PolarHBondContact NH1-O 3Å; R804-I872 PolarHBondContact NH2-O 3.32Å; R804-D875 PolarHBondContact NE-O 2.98Å; R804-D875 VanDerWaalsContact NH1-CB 3.34Å; R804-D875 PolarHBondContact NH1-O 3.01Å; R804-D875 PolarHBondContact NH2-O 3.42Å
805	Y	97.6	Very high	98.2	Very high	72 Å²	72	43.3 Å²	43.3	28%	0.282	23%	0.23	S	C	.	.	H	α-helix	trans	-58.8	-54.2	175.3	168.1	-97.2	0	0	0	110.9	K737 P741 Q801 S802 L803 A807 H808 H809	K737-Y805 HydrophobicContact CB-CD1 4.24Å; K737-Y805 HydrophobicContact CB-CE1 4.21Å; K737-Y805 HydrophobicContact CD-CD1 4.08Å; K737-Y805 HydrophobicContact CD-CD2 4.04Å; K737-Y805 HydrophobicContact CD-CG 3.78Å; K737-Y805 HydrophobicContact CG-CD1 3.94Å; K737-Y805 HydrophobicContact CG-CE1 4.41Å; K737-Y805 HydrophobicContact CG-CG 4.14Å; P741-Y805 HydrophobicContact CG-CE1 4.3Å; Q801-Y805 WeakPolarHBondContact O-CB 3.31Å; Q801-Y805 PolarHBondContact O-N 3.13Å; S802-Y805 WeakPolarHBondContact O-CB 3.34Å; S802-Y805 PolarHBondContact O-N 3.33Å; S802-Y805 VanDerWaalsContact O-N 3.13Å; L803-Y805 PolarHBondContact O-N 3.5Å; Y805-A807 VanDerWaalsContact C-N 3.29Å; Y805-A807 PolarHBondContact O-N 3.08Å; Y805-H808 PolarHBondContact O-N 3.03Å; Y805-H809 AromaticContact CE2-CD2 3.5Å; Y805-H809 VanDerWaalsContact CE2-CD2 3.5Å; Y805-H809 WeakPolarHBondContact CE2-CD2 3.18Å; Y805-H809 AromaticContact CZ-CD2 3.36Å; Y805-H809 VanDerWaalsContact O-CB 3.26Å; Y805-H809 WeakPolarHBondContact O-CB 3.41Å; Y805-H809 PolarHBondContact O-N 2.85Å; Y805-H809 PolarHBondContact OH-CD2 2.94Å; Y805-H809 PolarHBondContact OH-NE2 3.34Å
806	Y	98.4	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-31.2	-179.1	-69.1	-66.8	0	0	0	112.8	F734 L739 P741 L746 S802 L803 H808 T812	F734-Y806 AromaticContact CD2-CD2 3.91Å; F734-Y806 HydrophobicContact CD2-CD2 3.91Å; F734-Y806 AromaticContact CD2-CE2 3.52Å; F734-Y806 HydrophobicContact CD2-CE2 3.52Å; F734-Y806 AromaticContact CE2-CD2 3.58Å; F734-Y806 HydrophobicContact CE2-CD2 3.58Å; F734-Y806 AromaticContact CE2-CE2 3.69Å; F734-Y806 HydrophobicContact CE2-CE2 3.69Å; L739-Y806 PolarHBondContact O-OH 2.82Å; P741-Y806 HydrophobicContact CB-CD1 4.41Å; P741-Y806 HydrophobicContact CG-CE1 4.44Å; L746-Y806 HydrophobicContact CD1-CD2 4.32Å; L746-Y806 HydrophobicContact CD1-CE2 4.32Å; L746-Y806 HydrophobicContact CD2-CD1 3.61Å; L746-Y806 HydrophobicContact CD2-CE1 3.96Å; L746-Y806 HydrophobicContact CD2-CG 3.96Å; S802-Y806 WeakPolarHBondContact O-CD2 3.42Å; S802-Y806 PolarHBondContact O-N 2.86Å; S802-Y806 WeakPolarHBondContact OG-CE2 3.46Å; L803-Y806 PolarHBondContact O-N 2.85Å; Y806-H808 VanDerWaalsContact C-N 3.3Å; Y806-H808 PolarHBondContact O-N 2.87Å; Y806-T812 WeakPolarHBondContact O-CB 3.46Å; Y806-T812 VanDerWaalsContact O-CG2 3.31Å; Y806-T812 WeakPolarHBondContact O-CG2 3.44Å; Y806-T812 PolarHBondContact O-OG1 2.79Å
807	A	98.1	Very high	98.1	Very high	18 Å²	18	44.8 Å²	44.8	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-32	175.1	0	0	0	0	0	114.1	L803 R804 Y805 A820 K821	L803-A807 WeakPolarHBondContact O-CB 3.37Å; L803-A807 PolarHBondContact O-N 3.3Å; R804-A807 PolarHBondContact O-N 2.93Å; Y805-A807 VanDerWaalsContact C-N 3.29Å; Y805-A807 PolarHBondContact O-N 3.08Å; A807-A820 HydrophobicContact CB-CB 4.18Å; A807-K821 HydrophobicContact CB-CB 3.83Å
808	H	97.3	Very high	98.1	Very high	126 Å²	126	46.8 Å²	46.8	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-110.9	-9.8	-175.2	-61.3	93.1	0	0	0	113.8	R804 Y805 Y806 S810	R804-H808 PolarHBondContact O-N 2.89Å; R804-H808 PolarHBondContact O-ND1 3.01Å; Y805-H808 PolarHBondContact O-N 3.03Å; Y806-H808 VanDerWaalsContact C-N 3.3Å; Y806-H808 PolarHBondContact O-N 2.87Å; H808-S810 PolarHBondContact O-N 2.8Å
809	H	97.5	Very high	98.1	Very high	45 Å²	45	48.9 Å²	48.9	21%	0.208	27%	0.27	C	S	.	.			trans	-69.1	125.8	-178.7	-167.8	-68.8	0	0	0	110.9	P741 Y805 R811 T812	P741-H809 HydrophobicContact CG-CB 4.49Å; P741-H809 WeakPolarHBondContact CG-ND1 3.27Å; Y805-H809 AromaticContact CE2-CD2 3.5Å; Y805-H809 VanDerWaalsContact CE2-CD2 3.5Å; Y805-H809 WeakPolarHBondContact CE2-CD2 3.18Å; Y805-H809 AromaticContact CZ-CD2 3.36Å; Y805-H809 VanDerWaalsContact O-CB 3.26Å; Y805-H809 WeakPolarHBondContact O-CB 3.41Å; Y805-H809 PolarHBondContact O-N 2.85Å; Y805-H809 PolarHBondContact OH-CD2 2.94Å; Y805-H809 PolarHBondContact OH-NE2 3.34Å; H809-R811 PolarHBondContact ND1-N 3.11Å; H809-R811 VanDerWaalsContact ND1-N 3.15Å; H809-R811 PolarHBondContact O-N 2.98Å; H809-R811 VanDerWaalsContact O-N 3.09Å; H809-T812 WeakPolarHBondContact O-CB 3.39Å; H809-T812 PolarHBondContact O-N 2.89Å; H809-T812 PolarHBondContact O-OG1 3.11Å
810	S	97.4	Very high	98.1	Very high	115 Å²	115	48.9 Å²	48.9	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.2	-173.2	58	0	0	0	0	114.9	H808	H808-S810 PolarHBondContact O-N 2.8Å
811	R	98	Very high	98.1	Very high	145 Å²	145	53.7 Å²	53.7	55%	0.547	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-11.1	177.1	-62	-170.2	-64.8	167.6	-2.2	114.9	P741 T742 H809	P741-R811 HydrophobicContact CB-CB 4.08Å; T742-R811 HydrophobicContact CG2-CB 4.21Å; T742-R811 WeakPolarHBondContact CG2-O 3.43Å; H809-R811 PolarHBondContact ND1-N 3.11Å; H809-R811 VanDerWaalsContact ND1-N 3.15Å; H809-R811 PolarHBondContact O-N 2.98Å; H809-R811 VanDerWaalsContact O-N 3.09Å
812	T	98.4	Very high	98.1	Very high	10 Å²	10	56.5 Å²	56.5	6%	0.061	30%	0.3	C	S	.	.	S	Bend	trans	-71.5	130.4	-179.4	-53.4	0	0	0	0	109.7	Y806 H809 V814 V816 A817	Y806-T812 WeakPolarHBondContact O-CB 3.46Å; Y806-T812 VanDerWaalsContact O-CG2 3.31Å; Y806-T812 WeakPolarHBondContact O-CG2 3.44Å; Y806-T812 PolarHBondContact O-OG1 2.79Å; H809-T812 WeakPolarHBondContact O-CB 3.39Å; H809-T812 PolarHBondContact O-N 2.89Å; H809-T812 PolarHBondContact O-OG1 3.11Å; T812-V814 PolarHBondContact O-N 2.95Å; T812-V816 HydrophobicContact CG2-CB 3.89Å; T812-V816 HydrophobicContact CG2-CG1 3.84Å; T812-A817 HydrophobicContact CG2-CB 3.94Å
813	P	98.4	Very high	98.1	Very high	62 Å²	62	56.5 Å²	56.5	40%	0.403	30%	0.3	S	S	.	.			trans	-55.6	137.1	174.7	-25.6	34.4	0	0	0	111.9	P741 P815 V816 A817	P741-P813 WeakPolarHBondContact O-CD 3.15Å; P813-P815 VanDerWaalsContact C-CD 3.48Å; P813-V816 HydrophobicContact CB-CB 4.44Å; P813-V816 HydrophobicContact CB-CG2 4.08Å; P813-V816 HydrophobicContact CG-CG2 4.4Å; P813-V816 WeakPolarHBondContact O-CA 3.44Å; P813-V816 WeakPolarHBondContact O-CB 3.44Å; P813-V816 PolarHBondContact O-N 3.15Å; P813-A817 PolarHBondContact O-N 2.61Å
814	V	98.3	Very high	98.1	Very high	121 Å²	121	56.7 Å²	56.7	73%	0.733	30%	0.302	S	S	*	.	H	α-helix	trans	-49.6	-45.6	-173.1	176.7	0	0	0	0	113.7	T812 V816 A817 A818	T812-V814 PolarHBondContact O-N 2.95Å; V814-V816 VanDerWaalsContact C-N 3.32Å; V814-V816 PolarHBondContact O-N 3.23Å; V814-A817 PolarHBondContact O-N 2.85Å; V814-A818 WeakPolarHBondContact O-CB 3.4Å; V814-A818 PolarHBondContact O-N 2.95Å
815	P	97.9	Very high	98	Very high	100 Å²	100	59.1 Å²	59.1	65%	0.649	32%	0.315	S	S	*	.	H	α-helix	trans	-64.3	-36.8	178.4	-22	34.5	0	0	0	113.2	P813 E819	P813-P815 VanDerWaalsContact C-CD 3.48Å; P815-E819 PolarHBondContact O-N 2.75Å; P815-E819 VanDerWaalsContact O-N 3.09Å
816	V	98.4	Very high	98	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-71.1	-41	179.7	-177.4	0	0	0	0	110.3	L746 P747 L750 T812 P813 V814 E819 A820	L746-V816 HydrophobicContact CD2-CG1 3.72Å; L746-V816 HydrophobicContact CG-CG1 3.87Å; P747-V816 HydrophobicContact CB-CG2 4.48Å; P747-V816 HydrophobicContact CG-CG2 3.86Å; L750-V816 HydrophobicContact CD1-CG1 3.7Å; T812-V816 HydrophobicContact CG2-CB 3.89Å; T812-V816 HydrophobicContact CG2-CG1 3.84Å; P813-V816 HydrophobicContact CB-CB 4.44Å; P813-V816 HydrophobicContact CB-CG2 4.08Å; P813-V816 HydrophobicContact CG-CG2 4.4Å; P813-V816 WeakPolarHBondContact O-CA 3.44Å; P813-V816 WeakPolarHBondContact O-CB 3.44Å; P813-V816 PolarHBondContact O-N 3.15Å; V814-V816 VanDerWaalsContact C-N 3.32Å; V814-V816 PolarHBondContact O-N 3.23Å; V816-E819 PolarHBondContact O-N 2.9Å; V816-A820 WeakPolarHBondContact O-CB 2.93Å; V816-A820 PolarHBondContact O-N 3.02Å
817	A	98.5	Very high	98	Very high	15 Å²	15	59.6 Å²	59.6	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.6	0	0	0	0	0	111.7	T812 P813 V814 A820 K821	T812-A817 HydrophobicContact CG2-CB 3.94Å; P813-A817 PolarHBondContact O-N 2.61Å; V814-A817 PolarHBondContact O-N 2.85Å; A817-A820 PolarHBondContact O-N 3.4Å; A817-K821 WeakPolarHBondContact O-CB 3.19Å; A817-K821 PolarHBondContact O-N 3.23Å
818	A	98.4	Very high	98	Very high	60 Å²	60	58.9 Å²	58.9	50%	0.496	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-43.6	176.6	0	0	0	0	0	112.1	V814 K821 R822	V814-A818 WeakPolarHBondContact O-CB 3.4Å; V814-A818 PolarHBondContact O-N 2.95Å; A818-K821 PolarHBondContact O-N 2.93Å; A818-R822 PolarHBondContact O-N 2.78Å
819	E	98.5	Very high	98	Very high	52 Å²	52	56.1 Å²	56.1	24%	0.243	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-43.5	177	179.8	58.9	-172.4	0	0	111.9	L750 P815 V816 K821 R822 L823	L750-E819 HydrophobicContact CB-CG 4.3Å; L750-E819 HydrophobicContact CD1-CB 4.41Å; L750-E819 HydrophobicContact CD1-CG 4.27Å; P815-E819 PolarHBondContact O-N 2.75Å; P815-E819 VanDerWaalsContact O-N 3.09Å; V816-E819 PolarHBondContact O-N 2.9Å; E819-K821 VanDerWaalsContact C-N 3.29Å; E819-K821 PolarHBondContact O-N 3.45Å; E819-R822 PolarHBondContact O-N 3.49Å; E819-R822 IonicContact OE1-CZ 3.28Å; E819-R822 IonicContact OE1-NE 3.57Å; E819-R822 IonicContact OE1-NH2 3.56Å; E819-R822 PolarHBondContact OE1-NH2 2.86Å; E819-R822 IonicContact OE2-CZ 3.44Å; E819-R822 IonicContact OE2-NE 3.39Å; E819-R822 PolarHBondContact OE2-NE 3.3Å; E819-R822 IonicContact OE2-NH2 2.73Å; E819-R822 PolarHBondContact OE2-NH2 3.39Å; E819-L823 HydrophobicContact CG-CD1 4.11Å; E819-L823 HydrophobicContact CG-CG 4.48Å; E819-L823 WeakPolarHBondContact O-CG 3.42Å; E819-L823 PolarHBondContact O-N 2.96Å
820	A	98.6	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-42	175.3	0	0	0	0	0	111.6	L750 L803 A807 V816 A817 L823 A824	L750-A820 HydrophobicContact CD1-CB 4.11Å; L803-A820 HydrophobicContact CD2-CB 4.34Å; A807-A820 HydrophobicContact CB-CB 4.18Å; V816-A820 WeakPolarHBondContact O-CB 2.93Å; V816-A820 PolarHBondContact O-N 3.02Å; A817-A820 PolarHBondContact O-N 3.4Å; A820-L823 PolarHBondContact O-N 3.09Å; A820-A824 WeakPolarHBondContact O-CB 3.31Å; A820-A824 PolarHBondContact O-N 3.44Å
821	K	98.1	Very high	98.1	Very high	102 Å²	102	49.6 Å²	49.6	44%	0.443	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-49.9	175.6	-173.8	177.1	176.1	178.8	0	111.6	A807 A817 A818 E819 L823 A824 E825	A807-K821 HydrophobicContact CB-CB 3.83Å; A817-K821 WeakPolarHBondContact O-CB 3.19Å; A817-K821 PolarHBondContact O-N 3.23Å; A818-K821 PolarHBondContact O-N 2.93Å; E819-K821 VanDerWaalsContact C-N 3.29Å; E819-K821 PolarHBondContact O-N 3.45Å; K821-L823 VanDerWaalsContact C-N 3.32Å; K821-L823 PolarHBondContact O-N 3.49Å; K821-A824 WeakPolarHBondContact O-CB 3.41Å; K821-A824 PolarHBondContact O-N 3.37Å; K821-E825 WeakPolarHBondContact CE-OE1 3.19Å; K821-E825 WeakPolarHBondContact O-CG 3.37Å; K821-E825 PolarHBondContact O-N 3.21Å
822	R	98.2	Very high	98.1	Very high	86 Å²	86	42.7 Å²	42.7	33%	0.325	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-46	179.4	-171.5	-168.1	69.5	74.8	-4.3	111.3	A818 E819 E825 Q826	A818-R822 PolarHBondContact O-N 2.78Å; E819-R822 PolarHBondContact O-N 3.49Å; E819-R822 IonicContact OE1-CZ 3.28Å; E819-R822 IonicContact OE1-NE 3.57Å; E819-R822 IonicContact OE1-NH2 3.56Å; E819-R822 PolarHBondContact OE1-NH2 2.86Å; E819-R822 IonicContact OE2-CZ 3.44Å; E819-R822 IonicContact OE2-NE 3.39Å; E819-R822 PolarHBondContact OE2-NE 3.3Å; E819-R822 IonicContact OE2-NH2 2.73Å; E819-R822 PolarHBondContact OE2-NH2 3.39Å; R822-E825 PolarHBondContact O-N 2.55Å; R822-Q826 VanDerWaalsContact NH1-NE2 3.15Å; R822-Q826 WeakPolarHBondContact O-CG 3.27Å; R822-Q826 PolarHBondContact O-N 3.36Å; R822-Q826 VanDerWaalsContact O-N 3.09Å
823	L	98.4	Very high	98	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-40.3	178	-68	174.9	0	0	0	111.9	L750 L753 W760 L803 E819 A820 K821 E825 Q826 L827	L750-L823 HydrophobicContact CB-CD1 4.14Å; L750-L823 HydrophobicContact CD2-CD1 4.23Å; L753-L823 HydrophobicContact CD2-CD1 4.49Å; W760-L823 HydrophobicContact CE3-CD2 4.43Å; W760-L823 HydrophobicContact CH2-CD2 3.96Å; W760-L823 HydrophobicContact CZ3-CD2 3.83Å; L803-L823 HydrophobicContact CD1-CB 3.81Å; L803-L823 HydrophobicContact CD2-CB 3.94Å; L803-L823 HydrophobicContact CD2-CD1 4.24Å; L803-L823 HydrophobicContact CG-CB 4.49Å; E819-L823 HydrophobicContact CG-CD1 4.11Å; E819-L823 HydrophobicContact CG-CG 4.48Å; E819-L823 WeakPolarHBondContact O-CG 3.42Å; E819-L823 PolarHBondContact O-N 2.96Å; A820-L823 PolarHBondContact O-N 3.09Å; K821-L823 VanDerWaalsContact C-N 3.32Å; K821-L823 PolarHBondContact O-N 3.49Å; L823-E825 PolarHBondContact O-N 3.39Å; L823-Q826 PolarHBondContact O-N 3.33Å; L823-L827 WeakPolarHBondContact O-CB 3.21Å; L823-L827 PolarHBondContact O-N 3.46Å
824	A	97.9	Very high	98	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-47.8	177.6	0	0	0	0	0	111	L803 R804 A820 K821 T828	L803-A824 HydrophobicContact CB-CB 3.72Å; L803-A824 HydrophobicContact CD1-CB 4.39Å; R804-A824 HydrophobicContact CG-CB 4.05Å; A820-A824 WeakPolarHBondContact O-CB 3.31Å; A820-A824 PolarHBondContact O-N 3.44Å; K821-A824 WeakPolarHBondContact O-CB 3.41Å; K821-A824 PolarHBondContact O-N 3.37Å; A824-T828 VanDerWaalsContact O-CB 3.23Å; A824-T828 WeakPolarHBondContact O-CB 3.2Å; A824-T828 PolarHBondContact O-N 3.19Å; A824-T828 PolarHBondContact O-OG1 2.98Å
825	E	96.7	Very high	98.1	Very high	91 Å²	91	40.3 Å²	40.3	43%	0.425	20%	0.203	S	C	.	.	H	α-helix	trans	-63.7	-47	-178.6	-70.8	174.1	169.3	0	0	111.4	K821 R822 L823 Q829	K821-E825 WeakPolarHBondContact CE-OE1 3.19Å; K821-E825 WeakPolarHBondContact O-CG 3.37Å; K821-E825 PolarHBondContact O-N 3.21Å; R822-E825 PolarHBondContact O-N 2.55Å; L823-E825 PolarHBondContact O-N 3.39Å; E825-Q829 WeakPolarHBondContact O-CG 3.31Å; E825-Q829 PolarHBondContact O-N 3.4Å; E825-Q829 VanDerWaalsContact O-N 3.16Å
826	Q	97.5	Very high	98.1	Very high	83 Å²	83	36.4 Å²	36.4	39%	0.388	18%	0.176	S	C	.	.	H	α-helix	trans	-66.7	-44.3	179.1	-69.9	-175.5	-6.1	0	0	112.7	W760 R822 L823 T828 Q829 N830	W760-Q826 HydrophobicContact CH2-CB 4.07Å; W760-Q826 HydrophobicContact CZ2-CB 3.83Å; R822-Q826 VanDerWaalsContact NH1-NE2 3.15Å; R822-Q826 WeakPolarHBondContact O-CG 3.27Å; R822-Q826 PolarHBondContact O-N 3.36Å; R822-Q826 VanDerWaalsContact O-N 3.09Å; L823-Q826 PolarHBondContact O-N 3.33Å; Q826-T828 VanDerWaalsContact C-N 3.31Å; Q826-T828 PolarHBondContact O-N 2.82Å; Q826-Q829 PolarHBondContact O-N 2.99Å; Q826-N830 PolarHBondContact O-N 2.82Å
827	L	98.3	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-41.3	179.8	-177	55.5	0	0	0	110.9	W760 L765 A799 V800 L803 L823 Q829 N830 L831	W760-L827 HydrophobicContact CH2-CB 3.71Å; W760-L827 HydrophobicContact CH2-CD1 4.48Å; W760-L827 HydrophobicContact CZ3-CB 4.1Å; W760-L827 HydrophobicContact CZ3-CD1 4.43Å; L765-L827 HydrophobicContact CD1-CD2 3.71Å; L765-L827 HydrophobicContact CD2-CD1 4.43Å; L765-L827 HydrophobicContact CD2-CD2 4.47Å; L765-L827 HydrophobicContact CG-CD1 3.95Å; L765-L827 HydrophobicContact CG-CD2 3.84Å; A799-L827 HydrophobicContact CB-CD2 4.27Å; V800-L827 HydrophobicContact CG2-CB 4.23Å; V800-L827 HydrophobicContact CG2-CD2 3.69Å; V800-L827 HydrophobicContact CG2-CG 3.79Å; L803-L827 HydrophobicContact CD1-CD2 4.24Å; L823-L827 WeakPolarHBondContact O-CB 3.21Å; L823-L827 PolarHBondContact O-N 3.46Å; L827-Q829 VanDerWaalsContact C-N 3.34Å; L827-Q829 PolarHBondContact O-N 3.19Å; L827-N830 PolarHBondContact O-N 3.17Å; L827-L831 HydrophobicContact CD1-CD1 3.96Å; L827-L831 HydrophobicContact CD1-CG 4.1Å; L827-L831 HydrophobicContact CG-CD1 3.81Å; L827-L831 HydrophobicContact CG-CG 4.42Å; L827-L831 WeakPolarHBondContact O-CB 3.35Å; L827-L831 WeakPolarHBondContact O-CD1 3.3Å; L827-L831 VanDerWaalsContact O-CG 3.23Å; L827-L831 WeakPolarHBondContact O-CG 3.37Å; L827-L831 PolarHBondContact O-N 3.18Å
828	T	97.7	Very high	98	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-47.4	175.2	-62.4	0	0	0	0	111.3	F393 R804 A824 Q826 A832 I872	F393-T828 HydrophobicContact CE1-CG2 3.88Å; F393-T828 HydrophobicContact CZ-CG2 3.5Å; R804-T828 PolarHBondContact NH2-OG1 3.4Å; A824-T828 VanDerWaalsContact O-CB 3.23Å; A824-T828 WeakPolarHBondContact O-CB 3.2Å; A824-T828 PolarHBondContact O-N 3.19Å; A824-T828 PolarHBondContact O-OG1 2.98Å; Q826-T828 VanDerWaalsContact C-N 3.31Å; Q826-T828 PolarHBondContact O-N 2.82Å; T828-A832 WeakPolarHBondContact O-CB 3.48Å; T828-A832 PolarHBondContact O-N 3.06Å; T828-I872 HydrophobicContact CG2-CG2 3.74Å
829	Q	96.8	Very high	97.9	Very high	68 Å²	68	34.8 Å²	34.8	32%	0.318	16%	0.163	S	C	.	.	H	α-helix	trans	-66.6	-42.1	179.6	-70.5	-64.9	-9.6	0	0	112.7	K392 E825 Q826 L827 L831 A832 R833	K392-Q829 PolarHBondContact O-NE2 3.47Å; E825-Q829 WeakPolarHBondContact O-CG 3.31Å; E825-Q829 PolarHBondContact O-N 3.4Å; E825-Q829 VanDerWaalsContact O-N 3.16Å; Q826-Q829 PolarHBondContact O-N 2.99Å; L827-Q829 VanDerWaalsContact C-N 3.34Å; L827-Q829 PolarHBondContact O-N 3.19Å; Q829-L831 PolarHBondContact O-N 2.84Å; Q829-A832 PolarHBondContact O-N 2.93Å; Q829-R833 WeakPolarHBondContact O-CB 3.48Å; Q829-R833 PolarHBondContact O-N 2.99Å
830	N	98.2	Very high	97.8	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.123	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-46.1	177.6	-73	-5.5	0	0	0	111.6	S761 E762 Q826 L827 R833 T834	S761-N830 PolarHBondContact O-ND2 3.19Å; E762-N830 WeakPolarHBondContact O-CB 3.47Å; E762-N830 VanDerWaalsContact O-CG 3.28Å; Q826-N830 PolarHBondContact O-N 2.82Å; L827-N830 PolarHBondContact O-N 3.17Å; N830-R833 PolarHBondContact OD1-NH2 2.89Å; N830-T834 WeakPolarHBondContact O-CB 3.43Å; N830-T834 PolarHBondContact O-N 2.98Å; N830-T834 PolarHBondContact O-OG1 3.33Å
831	L	98.5	Very high	97.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-47.6	178.8	-66.6	165.3	0	0	0	111.3	I791 I793 N796 V800 L827 Q829 R833 T834 V835 I869 I872	I791-L831 HydrophobicContact CG2-CD2 4.15Å; I793-L831 HydrophobicContact CD1-CD2 3.86Å; N796-L831 HydrophobicContact CB-CD1 3.75Å; N796-L831 HydrophobicContact CB-CD2 3.92Å; V800-L831 HydrophobicContact CG2-CD1 4.12Å; L827-L831 HydrophobicContact CD1-CD1 3.96Å; L827-L831 HydrophobicContact CD1-CG 4.1Å; L827-L831 HydrophobicContact CG-CD1 3.81Å; L827-L831 HydrophobicContact CG-CG 4.42Å; L827-L831 WeakPolarHBondContact O-CB 3.35Å; L827-L831 WeakPolarHBondContact O-CD1 3.3Å; L827-L831 VanDerWaalsContact O-CG 3.23Å; L827-L831 WeakPolarHBondContact O-CG 3.37Å; L827-L831 PolarHBondContact O-N 3.18Å; Q829-L831 PolarHBondContact O-N 2.84Å; L831-R833 VanDerWaalsContact C-N 3.33Å; L831-R833 PolarHBondContact O-N 3.48Å; L831-T834 PolarHBondContact O-N 3Å; L831-V835 WeakPolarHBondContact O-CG2 3.29Å; L831-V835 PolarHBondContact O-N 2.8Å; L831-I869 HydrophobicContact CB-CD1 3.98Å; L831-I872 HydrophobicContact CD1-CD1 3.99Å
832	A	97.7	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-42.6	-179.3	0	0	0	0	0	112	F393 T828 Q829 L836 I869 I873	F393-A832 HydrophobicContact CE1-CB 4.42Å; T828-A832 WeakPolarHBondContact O-CB 3.48Å; T828-A832 PolarHBondContact O-N 3.06Å; Q829-A832 PolarHBondContact O-N 2.93Å; A832-L836 WeakPolarHBondContact O-CB 3.43Å; A832-L836 PolarHBondContact O-N 3.19Å; A832-L836 VanDerWaalsContact O-N 3.07Å; A832-I869 HydrophobicContact CB-CD1 4.43Å; A832-I873 HydrophobicContact CB-CG2 3.78Å
833	R	97.9	Very high	97.4	Very high	132 Å²	132	36.7 Å²	36.7	50%	0.498	18%	0.178	S	C	.	.	H	α-helix	trans	-64.5	-43.5	175.6	-179.9	-179.6	60.9	-166.6	-3.7	112.1	E762 Q829 N830 L831 G837	E762-R833 PolarHBondContact O-NH2 2.76Å; Q829-R833 WeakPolarHBondContact O-CB 3.48Å; Q829-R833 PolarHBondContact O-N 2.99Å; N830-R833 PolarHBondContact OD1-NH2 2.89Å; L831-R833 VanDerWaalsContact C-N 3.33Å; L831-R833 PolarHBondContact O-N 3.48Å; R833-G837 PolarHBondContact O-N 3.37Å
834	T	98.6	Very high	97.1	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-50.9	-177.2	-57.7	0	0	0	0	111.2	F763 N830 L831 L836 G837 E838 Y849	F763-T834 WeakPolarHBondContact CA-OG1 3.16Å; F763-T834 HydrophobicContact CB-CG2 3.94Å; F763-T834 WeakPolarHBondContact CB-OG1 3.41Å; F763-T834 HydrophobicContact CD1-CG2 4.26Å; F763-T834 PolarHBondContact O-OG1 3.14Å; N830-T834 WeakPolarHBondContact O-CB 3.43Å; N830-T834 PolarHBondContact O-N 2.98Å; N830-T834 PolarHBondContact O-OG1 3.33Å; L831-T834 PolarHBondContact O-N 3Å; T834-L836 PolarHBondContact O-N 2.84Å; T834-G837 PolarHBondContact O-N 3.26Å; T834-E838 PolarHBondContact O-N 2.89Å; T834-E838 VanDerWaalsContact O-N 3.12Å; T834-Y849 HydrophobicContact CG2-CD1 3.8Å; T834-Y849 HydrophobicContact CG2-CE1 4.5Å; T834-Y849 HydrophobicContact CG2-CG 4.03Å
835	V	98.6	Very high	97.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-42.2	-179.7	179.2	0	0	0	0	110.8	L400 I793 L831 E838 L839 L845 Y849 T866 I869	L400-V835 HydrophobicContact CD1-CG1 3.77Å; L400-V835 HydrophobicContact CD2-CB 4.15Å; L400-V835 HydrophobicContact CD2-CG1 3.95Å; L400-V835 HydrophobicContact CG-CG1 4.48Å; I793-V835 HydrophobicContact CD1-CG2 3.77Å; I793-V835 HydrophobicContact CG1-CG2 4.35Å; L831-V835 WeakPolarHBondContact O-CG2 3.29Å; L831-V835 PolarHBondContact O-N 2.8Å; V835-E838 PolarHBondContact O-N 2.72Å; V835-L839 WeakPolarHBondContact O-CB 3.48Å; V835-L839 PolarHBondContact O-N 3.36Å; V835-L845 HydrophobicContact CG1-CD2 3.68Å; V835-Y849 HydrophobicContact CG2-CE1 4.47Å; V835-Y849 HydrophobicContact CG2-CE2 4Å; V835-T866 HydrophobicContact CG1-CG2 4.2Å; V835-I869 HydrophobicContact CB-CG1 4.23Å; V835-I869 HydrophobicContact CG1-CG1 4.38Å; V835-I869 HydrophobicContact CG1-CG2 4.3Å; V835-I869 HydrophobicContact CG2-CD1 4.28Å; V835-I869 HydrophobicContact CG2-CG1 4.26Å
836	L	98.1	Very high	97.2	Very high	18 Å²	18	34.3 Å²	34.3	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-47	176.4	179.1	62.2	0	0	0	111.6	R396 Q397 L400 A832 T834 E838 L839 E840	R396-L836 HydrophobicContact CB-CD1 4.39Å; R396-L836 HydrophobicContact CB-CD2 3.88Å; Q397-L836 HydrophobicContact CG-CD2 3.75Å; L400-L836 HydrophobicContact CB-CD1 4.04Å; L400-L836 HydrophobicContact CD2-CB 3.96Å; A832-L836 WeakPolarHBondContact O-CB 3.43Å; A832-L836 PolarHBondContact O-N 3.19Å; A832-L836 VanDerWaalsContact O-N 3.07Å; T834-L836 PolarHBondContact O-N 2.84Å; L836-E838 VanDerWaalsContact C-N 3.28Å; L836-E838 PolarHBondContact O-N 2.94Å; L836-L839 PolarHBondContact O-N 2.88Å; L836-E840 HydrophobicContact CD1-CG 3.97Å; L836-E840 HydrophobicContact CG-CG 4.41Å; L836-E840 WeakPolarHBondContact O-CG 3.44Å; L836-E840 PolarHBondContact O-N 2.92Å
837	G	97.7	Very high	97.2	Very high	32 Å²	32	30.7 Å²	30.7	33%	0.33	15%	0.148	S	C	.	.	H	α-helix	trans	-58.1	-41.3	-179.2	0	0	0	0	0	112.2	R833 T834 R841	R833-G837 PolarHBondContact O-N 3.37Å; T834-G837 PolarHBondContact O-N 3.26Å; G837-R841 VanDerWaalsContact O-CB 3.23Å; G837-R841 WeakPolarHBondContact O-CB 3.16Å; G837-R841 PolarHBondContact O-N 2.75Å
838	E	97.7	Very high	97.2	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-74.3	-37.9	177.6	-75.5	-60.1	108	0	0	113.7	T834 V835 L836 E840 R841 T842 Y849 G854 G856	T834-E838 PolarHBondContact O-N 2.89Å; T834-E838 VanDerWaalsContact O-N 3.12Å; V835-E838 PolarHBondContact O-N 2.72Å; L836-E838 VanDerWaalsContact C-N 3.28Å; L836-E838 PolarHBondContact O-N 2.94Å; E838-E840 VanDerWaalsContact C-N 3.26Å; E838-E840 PolarHBondContact O-N 3.21Å; E838-R841 PolarHBondContact O-N 2.86Å; E838-R841 IonicContact OE1-CZ 3.8Å; E838-R841 IonicContact OE1-NE 3.7Å; E838-R841 PolarHBondContact OE1-NE 3.01Å; E838-R841 IonicContact OE1-NH2 3.11Å; E838-R841 PolarHBondContact OE1-NH2 2.73Å; E838-R841 IonicContact OE2-CZ 2.8Å; E838-R841 IonicContact OE2-NE 2.69Å; E838-R841 PolarHBondContact OE2-NE 3.04Å; E838-R841 IonicContact OE2-NH2 2.68Å; E838-R841 PolarHBondContact OE2-NH2 2.64Å; E838-T842 WeakPolarHBondContact O-CB 3.1Å; E838-T842 PolarHBondContact O-N 3.39Å; E838-T842 PolarHBondContact O-OG1 3.46Å; E838-Y849 HydrophobicContact CB-CD1 4.45Å; E838-Y849 HydrophobicContact CB-CE1 3.85Å; E838-Y849 HydrophobicContact CG-CD1 3.97Å; E838-Y849 HydrophobicContact CG-CE1 3.88Å; E838-G854 VanDerWaalsContact CG-O 3.27Å; E838-G854 WeakPolarHBondContact CG-O 3.37Å; E838-G856 PolarHBondContact OE2-N 3.31Å
839	L	96.7	Very high	97.2	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-57.6	-43.5	172.5	177.6	61.9	0	0	0	110.7	L400 I403 V835 L836 G843 H844 L845	L400-L839 HydrophobicContact CB-CD2 4.39Å; L400-L839 HydrophobicContact CD1-CD2 3.56Å; I403-L839 HydrophobicContact CD1-CD2 4.2Å; I403-L839 HydrophobicContact CG2-CD1 4.5Å; I403-L839 HydrophobicContact CG2-CD2 4.26Å; V835-L839 WeakPolarHBondContact O-CB 3.48Å; V835-L839 PolarHBondContact O-N 3.36Å; L836-L839 PolarHBondContact O-N 2.88Å; L839-G843 WeakPolarHBondContact O-CA 3.22Å; L839-G843 PolarHBondContact O-N 3.46Å; L839-H844 WeakPolarHBondContact CA-O 3.09Å; L839-L845 HydrophobicContact CB-CD2 4.22Å; L839-L845 HydrophobicContact CD1-CD2 4.23Å; L839-L845 HydrophobicContact CD1-CG 4.47Å; L839-L845 HydrophobicContact CD2-CD2 4.36Å
840	E	96.4	Very high	97.3	Very high	92 Å²	92	28.5 Å²	28.5	43%	0.43	14%	0.138	S	C	.	.	H	α-helix	trans	-75.7	-34.9	-178.8	-67.4	175.4	148.3	0	0	112.8	R396 L836 E838	R396-E840 IonicContact CZ-OE1 3.57Å; R396-E840 IonicContact CZ-OE2 3.19Å; R396-E840 IonicContact NE-OE1 2.75Å; R396-E840 PolarHBondContact NE-OE1 2.87Å; R396-E840 IonicContact NE-OE2 2.84Å; R396-E840 IonicContact NH2-OE1 3.5Å; R396-E840 PolarHBondContact NH2-OE1 3.09Å; R396-E840 IonicContact NH2-OE2 2.99Å; R396-E840 PolarHBondContact NH2-OE2 3.5Å; L836-E840 HydrophobicContact CD1-CG 3.97Å; L836-E840 HydrophobicContact CG-CG 4.41Å; L836-E840 WeakPolarHBondContact O-CG 3.44Å; L836-E840 PolarHBondContact O-N 2.92Å; E838-E840 VanDerWaalsContact C-N 3.26Å; E838-E840 PolarHBondContact O-N 3.21Å
841	R	96.1	Very high	97.3	Very high	143 Å²	143	27.5 Å²	27.5	54%	0.54	13%	0.133	S	C	.	.	H	α-helix	trans	-71.7	-37.2	178.2	-170.8	-174.7	69.3	74.1	-2.2	112.4	G837 E838	G837-R841 VanDerWaalsContact O-CB 3.23Å; G837-R841 WeakPolarHBondContact O-CB 3.16Å; G837-R841 PolarHBondContact O-N 2.75Å; E838-R841 PolarHBondContact O-N 2.86Å; E838-R841 IonicContact OE1-CZ 3.8Å; E838-R841 IonicContact OE1-NE 3.7Å; E838-R841 PolarHBondContact OE1-NE 3.01Å; E838-R841 IonicContact OE1-NH2 3.11Å; E838-R841 PolarHBondContact OE1-NH2 2.73Å; E838-R841 IonicContact OE2-CZ 2.8Å; E838-R841 IonicContact OE2-NE 2.69Å; E838-R841 PolarHBondContact OE2-NE 3.04Å; E838-R841 IonicContact OE2-NH2 2.68Å; E838-R841 PolarHBondContact OE2-NH2 2.64Å
842	T	94.9	Very high	97.2	Very high	29 Å²	29	33 Å²	33	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-113.7	-20.5	-169.2	68.4	0	0	0	0	114	E838 H844 W846	E838-T842 WeakPolarHBondContact O-CB 3.1Å; E838-T842 PolarHBondContact O-N 3.39Å; E838-T842 PolarHBondContact O-OG1 3.46Å; T842-H844 VanDerWaalsContact C-N 3.31Å; T842-H844 PolarHBondContact O-CD2 3.17Å; T842-H844 PolarHBondContact OG1-N 2.77Å; T842-H844 PolarHBondContact OG1-O 3.35Å; T842-W846 HydrophobicContact CG2-CZ2 3.84Å; T842-W846 PolarHBondContact OG1-NE1 3.25Å
843	G	94.2	Very high	97.2	Very high	17 Å²	17	36.5 Å²	36.5	18%	0.175	18%	0.18	C	C	.	.	S	Bend	trans	80.8	6.3	-171.1	0	0	0	0	0	114.3	N177 L839	N177-G843 PolarHBondContact ND2-O 3.16Å; L839-G843 WeakPolarHBondContact O-CA 3.22Å; L839-G843 PolarHBondContact O-N 3.46Å
844	H	94	Very high	97.2	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.065	16%	0.158	C	C	.	.	S	Bend	trans	-135.8	153.4	-174.1	-57.8	-79.1	0	0	0	113.2	L174 L839 T842 W846 H860 P861	L174-H844 PolarHBondContact O-NE2 3.44Å; L839-H844 WeakPolarHBondContact CA-O 3.09Å; T842-H844 VanDerWaalsContact C-N 3.31Å; T842-H844 PolarHBondContact O-CD2 3.17Å; T842-H844 PolarHBondContact OG1-N 2.77Å; T842-H844 PolarHBondContact OG1-O 3.35Å; H844-W846 VanDerWaalsContact O-CD1 3.31Å; H844-W846 PolarHBondContact O-NE1 2.92Å; H844-H860 HydrophobicContact CB-CB 4.26Å; H844-P861 HydrophobicContact CB-CB 4.39Å
845	L	97.2	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.			trans	-83.6	146.5	160	-61.1	-179.4	0	0	0	109.9	L400 A404 V835 L839 P861 F862 T866	L400-L845 HydrophobicContact CD1-CD2 3.71Å; A404-L845 HydrophobicContact CB-CD1 3.84Å; V835-L845 HydrophobicContact CG1-CD2 3.68Å; L839-L845 HydrophobicContact CB-CD2 4.22Å; L839-L845 HydrophobicContact CD1-CD2 4.23Å; L839-L845 HydrophobicContact CD1-CG 4.47Å; L839-L845 HydrophobicContact CD2-CD2 4.36Å; L845-P861 CarbonylContact O-C 3.56Å; L845-P861 WeakPolarHBondContact O-CA 3.29Å; L845-F862 PolarHBondContact O-N 2.81Å; L845-T866 HydrophobicContact CB-CG2 3.99Å; L845-T866 HydrophobicContact CD1-CG2 4.41Å; L845-T866 HydrophobicContact CD2-CG2 4.32Å; L845-T866 HydrophobicContact CG-CG2 4.47Å
846	W	97.9	Very high	97.1	Very high	30 Å²	30	33.6 Å²	33.6	11%	0.114	18%	0.177	C	C	.	.			trans	-117.1	153.9	-174.7	-65.8	81	0	0	0	112.2	T842 H844 Y849 G856 H860 T866	T842-W846 HydrophobicContact CG2-CZ2 3.84Å; T842-W846 PolarHBondContact OG1-NE1 3.25Å; H844-W846 VanDerWaalsContact O-CD1 3.31Å; H844-W846 PolarHBondContact O-NE1 2.92Å; W846-Y849 HydrophobicContact CB-CE1 4.16Å; W846-Y849 PolarHBondContact N-OH 3.18Å; W846-G856 VanDerWaalsContact CG-CA 3.45Å; W846-H860 HydrophobicContact CD2-CB 3.94Å; W846-H860 HydrophobicContact CE3-CB 3.73Å; W846-H860 AromaticContact CE3-CG 3.99Å; W846-H860 AromaticContact CE3-ND1 3.97Å; W846-H860 HydrophobicContact CH2-CB 4.24Å; W846-H860 AromaticContact CH2-CE1 3.94Å; W846-H860 AromaticContact CH2-CG 3.72Å; W846-H860 AromaticContact CH2-ND1 3.64Å; W846-H860 HydrophobicContact CZ2-CB 4.4Å; W846-H860 HydrophobicContact CZ3-CB 3.91Å; W846-H860 AromaticContact CZ3-CE1 3.97Å; W846-H860 AromaticContact CZ3-CG 3.62Å; W846-H860 AromaticContact CZ3-ND1 3.31Å; W846-H860 VanDerWaalsContact CZ3-ND1 3.31Å; W846-H860 WeakPolarHBondContact CZ3-ND1 3.42Å; W846-T866 PolarHBondContact O-OG1 2.88Å
847	E	98.2	Very high	97	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-63.2	-46	179.7	179.3	176.5	-155.7	0	0	112.3	Y786 W792 R858 G859 F862 W865	Y786-E847 PolarHBondContact OH-OE1 3.23Å; Y786-E847 PolarHBondContact OH-OE2 3.28Å; W792-E847 HydrophobicContact CE3-CG 4.41Å; W792-E847 HydrophobicContact CH2-CG 4.34Å; W792-E847 HydrophobicContact CZ3-CG 3.77Å; E847-R858 HydrophobicContact CB-CB 4.35Å; E847-R858 WeakPolarHBondContact OE2-CB 3.46Å; E847-G859 WeakPolarHBondContact CB-O 3.44Å; E847-G859 PolarHBondContact N-O 3.13Å; E847-G859 PolarHBondContact OE2-N 2.76Å; E847-F862 VanDerWaalsContact CA-CG 3.48Å; E847-F862 HydrophobicContact CB-CB 4.1Å; E847-F862 HydrophobicContact CB-CD1 4.32Å; E847-F862 HydrophobicContact CB-CD2 3.58Å; E847-F862 HydrophobicContact CB-CE2 4.04Å; E847-F862 HydrophobicContact CB-CG 3.75Å; E847-F862 HydrophobicContact CG-CD2 3.82Å; E847-F862 HydrophobicContact CG-CE2 3.71Å; E847-F862 HydrophobicContact CG-CG 4.28Å; E847-F862 HydrophobicContact CG-CZ 4.1Å; E847-W865 HydrophobicContact CG-CZ2 4.04Å; E847-W865 PolarHBondContact O-NE1 3.17Å
848	Q	98.2	Very high	96.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.9	178.5	72.7	176.4	23.3	0	0	110.9	Y786 A790 I791 W792 Q857 R858	Y786-Q848 PolarHBondContact O-OE1 2.9Å; A790-Q848 HydrophobicContact CB-CB 4.2Å; A790-Q848 VanDerWaalsContact CB-CD 3.42Å; A790-Q848 HydrophobicContact CB-CG 4.06Å; I791-Q848 WeakPolarHBondContact O-CA 3.13Å; W792-Q848 HydrophobicContact CD2-CB 3.93Å; W792-Q848 HydrophobicContact CE3-CB 4.27Å; W792-Q848 HydrophobicContact CG-CB 4.37Å; W792-Q848 HydrophobicContact CZ2-CB 4.29Å; Q848-Q857 HydrophobicContact CG-CB 3.92Å; Q848-Q857 PolarHBondContact O-N 3.45Å; Q848-R858 HydrophobicContact CG-CB 4.46Å; Q848-R858 HydrophobicContact CG-CG 3.93Å
849	Y	98.7	Very high	96.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.6	179.7	-58.5	-93.4	0	0	0	111.3	I791 I793 T834 V835 E838 W846 G854 T866	I791-Y849 PolarHBondContact N-O 3.42Å; I791-Y849 PolarHBondContact O-N 2.82Å; I793-Y849 HydrophobicContact CD1-CD2 4.19Å; I793-Y849 HydrophobicContact CD1-CE2 3.99Å; I793-Y849 HydrophobicContact CG1-CD2 4.32Å; I793-Y849 HydrophobicContact CG1-CE2 3.82Å; T834-Y849 HydrophobicContact CG2-CD1 3.8Å; T834-Y849 HydrophobicContact CG2-CE1 4.5Å; T834-Y849 HydrophobicContact CG2-CG 4.03Å; V835-Y849 HydrophobicContact CG2-CE1 4.47Å; V835-Y849 HydrophobicContact CG2-CE2 4Å; E838-Y849 HydrophobicContact CB-CD1 4.45Å; E838-Y849 HydrophobicContact CB-CE1 3.85Å; E838-Y849 HydrophobicContact CG-CD1 3.97Å; E838-Y849 HydrophobicContact CG-CE1 3.88Å; W846-Y849 HydrophobicContact CB-CE1 4.16Å; W846-Y849 PolarHBondContact N-OH 3.18Å; Y849-G854 WeakPolarHBondContact CD1-O 2.95Å; Y849-T866 HydrophobicContact CE2-CG2 4.37Å; Y849-T866 WeakPolarHBondContact OH-CG2 3.37Å
850	N	98.2	Very high	96.2	Very high	20 Å²	20	39.7 Å²	39.7	11%	0.107	19%	0.193	C	C	.	.			trans	-67.3	130.6	176.2	-178.1	-84.6	0	0	0	110.4	Q852 T853 G854 N855 Q857	N850-Q852 VanDerWaalsContact C-N 3.27Å; N850-Q852 PolarHBondContact O-N 3.31Å; N850-Q852 WeakPolarHBondContact OD1-CA 3.35Å; N850-Q852 WeakPolarHBondContact OD1-CB 3.47Å; N850-Q852 PolarHBondContact OD1-N 3.44Å; N850-T853 WeakPolarHBondContact CB-OG1 3.23Å; N850-T853 PolarHBondContact OD1-N 3.25Å; N850-T853 PolarHBondContact OD1-OG1 3.48Å; N850-G854 VanDerWaalsContact O-CA 3.29Å; N850-G854 WeakPolarHBondContact O-CA 3.47Å; N850-G854 PolarHBondContact O-N 3.09Å; N850-N855 HydrophobicContact CB-CB 4.47Å; N850-N855 WeakPolarHBondContact CB-O 3.08Å; N850-N855 PolarHBondContact N-O 2.96Å; N850-Q857 HydrophobicContact CB-CG 4.25Å; N850-Q857 PolarHBondContact ND2-NE2 3.11Å
851	D	97.8	Very high	96	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.011	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.9	-173.5	66.4	-64.9	0	0	0	115.4	F763 R766 Y775 H776 G789 I791	F763-D851 WeakPolarHBondContact CD2-O 3.45Å; R766-D851 VanDerWaalsContact CD-OD2 3.29Å; R766-D851 WeakPolarHBondContact CD-OD2 3.34Å; R766-D851 HydrophobicContact CG-CB 3.71Å; R766-D851 IonicContact CZ-OD2 3.58Å; R766-D851 IonicContact NE-OD2 3.77Å; R766-D851 PolarHBondContact NE-OD2 3.4Å; Y775-D851 WeakPolarHBondContact CE2-OD2 3.36Å; Y775-D851 PolarHBondContact OH-OD1 3.28Å; Y775-D851 PolarHBondContact OH-OD2 2.96Å; H776-D851 IonicContact CE1-OD1 3.05Å; H776-D851 PolarHBondContact CE1-OD1 3.02Å; H776-D851 IonicContact NE2-OD1 3.73Å; H776-D851 PolarHBondContact NE2-OD1 2.91Å; G789-D851 WeakPolarHBondContact O-CB 3.44Å; I791-D851 HydrophobicContact CD1-CB 4.1Å; I791-D851 HydrophobicContact CG1-CB 4.13Å
852	Q	96.5	Very high	96.1	Very high	118 Å²	118	28.9 Å²	28.9	55%	0.551	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-30.3	180	-59.2	177	-10	0	0	112.5	F763 Y775 N850	F763-Q852 VanDerWaalsContact CE2-O 3.26Å; F763-Q852 WeakPolarHBondContact CE2-O 3.31Å; Y775-Q852 PolarHBondContact OH-NE2 2.9Å; N850-Q852 VanDerWaalsContact C-N 3.27Å; N850-Q852 PolarHBondContact O-N 3.31Å; N850-Q852 WeakPolarHBondContact OD1-CA 3.35Å; N850-Q852 WeakPolarHBondContact OD1-CB 3.47Å; N850-Q852 PolarHBondContact OD1-N 3.44Å
853	T	97.4	Very high	96.1	Very high	72 Å²	72	28 Å²	28	44%	0.442	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-17.4	-173.6	58.6	0	0	0	0	113.8	F763 N850 N855	F763-T853 VanDerWaalsContact CZ-C 3.42Å; N850-T853 WeakPolarHBondContact CB-OG1 3.23Å; N850-T853 PolarHBondContact OD1-N 3.25Å; N850-T853 PolarHBondContact OD1-OG1 3.48Å; T853-N855 PolarHBondContact O-N 3.42Å; T853-N855 PolarHBondContact OG1-N 3.5Å; T853-N855 PolarHBondContact OG1-ND2 3.39Å
854	G	97.6	Very high	96.1	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	14%	0.136	C	C	.	.			trans	74.7	-3.6	-171.7	0	0	0	0	0	114.3	F763 E838 Y849 N850	F763-G854 VanDerWaalsContact CD1-CA 3.42Å; E838-G854 VanDerWaalsContact CG-O 3.27Å; E838-G854 WeakPolarHBondContact CG-O 3.37Å; Y849-G854 WeakPolarHBondContact CD1-O 2.95Å; N850-G854 VanDerWaalsContact O-CA 3.29Å; N850-G854 WeakPolarHBondContact O-CA 3.47Å; N850-G854 PolarHBondContact O-N 3.09Å
855	N	98.2	Very high	96.3	Very high	68 Å²	68	26.9 Å²	26.9	36%	0.364	14%	0.135	S	C	.	.			trans	-62.7	137	-179.9	-70.1	-20.4	0	0	0	111.1	N850 T853	N850-N855 HydrophobicContact CB-CB 4.47Å; N850-N855 WeakPolarHBondContact CB-O 3.08Å; N850-N855 PolarHBondContact N-O 2.96Å; T853-N855 PolarHBondContact O-N 3.42Å; T853-N855 PolarHBondContact OG1-N 3.5Å; T853-N855 PolarHBondContact OG1-ND2 3.39Å
856	G	97.8	Very high	96.3	Very high	10 Å²	10	26.9 Å²	26.9	10%	0.103	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.3	172.2	0	0	0	0	0	111.1	E838 W846	E838-G856 PolarHBondContact OE2-N 3.31Å; W846-G856 VanDerWaalsContact CG-CA 3.45Å
857	Q	96	Very high	96.4	Very high	63 Å²	63	25.5 Å²	25.5	29%	0.294	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159.1	-178.3	-52.6	179.6	-47.9	0	0	110.6	Q848 N850	Q848-Q857 HydrophobicContact CG-CB 3.92Å; Q848-Q857 PolarHBondContact O-N 3.45Å; N850-Q857 HydrophobicContact CB-CG 4.25Å; N850-Q857 PolarHBondContact ND2-NE2 3.11Å
858	R	92.3	Very high	96.4	Very high	98 Å²	98	25.1 Å²	25.1	37%	0.37	13%	0.128	S	C	.	.	S	Bend	trans	67.1	-135.4	172	-48.9	-65.8	-171.7	164.6	10.4	113.3	P784 P785 Y786 E847 Q848 H860	P784-R858 VanDerWaalsContact CG-NH1 3.32Å; P784-R858 VanDerWaalsContact CG-NH2 3.27Å; P784-R858 PolarHBondContact O-NH2 2.82Å; P785-R858 PolarHBondContact O-NH2 3.34Å; Y786-R858 HydrophobicContact CD2-CG 4.29Å; Y786-R858 HydrophobicContact CE2-CB 4.34Å; Y786-R858 HydrophobicContact CE2-CG 3.89Å; E847-R858 HydrophobicContact CB-CB 4.35Å; E847-R858 WeakPolarHBondContact OE2-CB 3.46Å; Q848-R858 HydrophobicContact CG-CB 4.46Å; Q848-R858 HydrophobicContact CG-CG 3.93Å; R858-H860 PolarHBondContact O-N 3.35Å; R858-H860 PolarHBondContact O-ND1 3.27Å
859	G	89.5	Confident	96.4	Very high	4 Å²	4	25 Å²	25	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	-58.2	130.4	-173.5	0	0	0	0	0	112.1	N447 E847 F862	N447-G859 WeakPolarHBondContact ND2-CA 3.37Å; E847-G859 WeakPolarHBondContact CB-O 3.44Å; E847-G859 PolarHBondContact N-O 3.13Å; E847-G859 PolarHBondContact OE2-N 2.76Å; G859-F862 WeakPolarHBondContact O-CB 3.44Å
860	H	92.1	Very high	96.3	Very high	39 Å²	39	25 Å²	25	18%	0.181	13%	0.127	C	C	.	.	S	Bend	trans	-151.4	154	172	64.4	-72	0	0	0	110.2	N447 H844 W846 R858	N447-H860 PolarHBondContact ND2-N 3.45Å; N447-H860 PolarHBondContact ND2-O 3.46Å; H844-H860 HydrophobicContact CB-CB 4.26Å; W846-H860 HydrophobicContact CD2-CB 3.94Å; W846-H860 HydrophobicContact CE3-CB 3.73Å; W846-H860 AromaticContact CE3-CG 3.99Å; W846-H860 AromaticContact CE3-ND1 3.97Å; W846-H860 HydrophobicContact CH2-CB 4.24Å; W846-H860 AromaticContact CH2-CE1 3.94Å; W846-H860 AromaticContact CH2-CG 3.72Å; W846-H860 AromaticContact CH2-ND1 3.64Å; W846-H860 HydrophobicContact CZ2-CB 4.4Å; W846-H860 HydrophobicContact CZ3-CB 3.91Å; W846-H860 AromaticContact CZ3-CE1 3.97Å; W846-H860 AromaticContact CZ3-CG 3.62Å; W846-H860 AromaticContact CZ3-ND1 3.31Å; W846-H860 VanDerWaalsContact CZ3-ND1 3.31Å; W846-H860 WeakPolarHBondContact CZ3-ND1 3.42Å; R858-H860 PolarHBondContact O-N 3.35Å; R858-H860 PolarHBondContact O-ND1 3.27Å
861	P	93.9	Very high	96.3	Very high	6 Å²	6	24 Å²	24	4%	0.039	12%	0.122	C	C	.	.	S	Bend	cis	-59.8	137.4	-21.4	28.6	-32.9	0	0	0	109.5	Y176 S444 H844 L845	Y176-P861 HydrophobicContact CE1-CG 4.11Å; Y176-P861 HydrophobicContact CE2-CG 3.64Å; Y176-P861 VanDerWaalsContact CZ-CD 3.47Å; Y176-P861 VanDerWaalsContact CZ-CG 3.42Å; Y176-P861 WeakPolarHBondContact OH-CD 3.34Å; Y176-P861 VanDerWaalsContact OH-CG 3.31Å; Y176-P861 WeakPolarHBondContact OH-CG 3.42Å; S444-P861 WeakPolarHBondContact CA-O 3.42Å; S444-P861 VanDerWaalsContact CB-O 3.25Å; S444-P861 WeakPolarHBondContact CB-O 3.39Å; S444-P861 PolarHBondContact OG-O 2.86Å; H844-P861 HydrophobicContact CB-CB 4.39Å; L845-P861 CarbonylContact O-C 3.56Å; L845-P861 WeakPolarHBondContact O-CA 3.29Å
862	F	97.1	Very high	96.3	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.121	C	C	.	.			trans	-119.4	80.2	179.4	-162.3	-80.9	0	0	0	108.5	P443 F448 L845 E847 G859 G864 W865 T866	P443-F862 HydrophobicContact CB-CD2 4.46Å; P443-F862 HydrophobicContact CB-CE1 4.44Å; P443-F862 HydrophobicContact CB-CE2 3.63Å; P443-F862 HydrophobicContact CB-CZ 3.61Å; P443-F862 WeakPolarHBondContact O-CA 3.24Å; F448-F862 HydrophobicContact CD2-CD2 4.41Å; F448-F862 HydrophobicContact CD2-CE2 4Å; F448-F862 HydrophobicContact CE2-CE2 4.17Å; L845-F862 PolarHBondContact O-N 2.81Å; E847-F862 VanDerWaalsContact CA-CG 3.48Å; E847-F862 HydrophobicContact CB-CB 4.1Å; E847-F862 HydrophobicContact CB-CD1 4.32Å; E847-F862 HydrophobicContact CB-CD2 3.58Å; E847-F862 HydrophobicContact CB-CE2 4.04Å; E847-F862 HydrophobicContact CB-CG 3.75Å; E847-F862 HydrophobicContact CG-CD2 3.82Å; E847-F862 HydrophobicContact CG-CE2 3.71Å; E847-F862 HydrophobicContact CG-CG 4.28Å; E847-F862 HydrophobicContact CG-CZ 4.1Å; G859-F862 WeakPolarHBondContact O-CB 3.44Å; F862-G864 PolarHBondContact O-N 2.89Å; F862-W865 AromaticContact CD1-NE1 4Å; F862-W865 AromaticContact CE1-CD1 3.65Å; F862-W865 AromaticContact CE1-CD2 3.72Å; F862-W865 HydrophobicContact CE1-CD2 3.72Å; F862-W865 AromaticContact CE1-CE2 3.35Å; F862-W865 HydrophobicContact CE1-CE3 4.47Å; F862-W865 AromaticContact CE1-CG 3.83Å; F862-W865 HydrophobicContact CE1-CG 3.83Å; F862-W865 AromaticContact CE1-CZ2 3.74Å; F862-W865 HydrophobicContact CE1-CZ2 3.74Å; F862-W865 AromaticContact CE1-NE1 3.32Å; F862-W865 VanDerWaalsContact CE1-NE1 3.32Å; F862-W865 HydrophobicContact CE2-CZ2 4.34Å; F862-W865 HydrophobicContact CZ-CD2 4.02Å; F862-W865 AromaticContact CZ-CE2 3.55Å; F862-W865 HydrophobicContact CZ-CE3 4.4Å; F862-W865 AromaticContact CZ-CH2 3.89Å; F862-W865 HydrophobicContact CZ-CH2 3.89Å; F862-W865 AromaticContact CZ-CZ2 3.42Å; F862-W865 HydrophobicContact CZ-CZ2 3.42Å; F862-W865 VanDerWaalsContact CZ-CZ2 3.42Å; F862-W865 HydrophobicContact CZ-CZ3 4.35Å; F862-W865 AromaticContact CZ-NE1 3.97Å; F862-T866 VanDerWaalsContact O-CB 3.31Å; F862-T866 WeakPolarHBondContact O-CB 3.16Å
863	S	94.4	Very high	96.3	Very high	11 Å²	11	18.5 Å²	18.5	8%	0.077	10%	0.096	C	C	.	.			trans	-93.9	24.9	174.8	-48.6	0	0	0	0	111.5	N407 L408 S867	N407-S863 VanDerWaalsContact CB-CB 3.4Å; N407-S863 WeakPolarHBondContact CB-OG 3.36Å; L408-S863 WeakPolarHBondContact CB-O 3.25Å; L408-S863 WeakPolarHBondContact CD1-O 3.29Å; S863-S867 VanDerWaalsContact C-OG 3.28Å; S863-S867 PolarHBondContact O-OG 3.24Å
864	G	94.7	Very high	96.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	8%	0.079	C	C	.	.	S	Bend	trans	-72	-121.1	166.9	0	0	0	0	0	111.7	P443 H459 F862 T866 S867	P443-G864 PolarHBondContact O-N 2.95Å; H459-G864 VanDerWaalsContact CD2-C 3.45Å; H459-G864 WeakPolarHBondContact NE2-CA 3.47Å; F862-G864 PolarHBondContact O-N 2.89Å; G864-T866 PolarHBondContact O-N 2.63Å; G864-T866 VanDerWaalsContact O-N 3.08Å; G864-S867 VanDerWaalsContact O-CB 3.26Å; G864-S867 WeakPolarHBondContact O-CB 3.23Å; G864-S867 PolarHBondContact O-N 3.25Å; G864-S867 PolarHBondContact O-OG 3.09Å
865	W	97.9	Very high	95	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.027	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-61.6	-19.1	179.6	60.8	51.9	0	0	0	114.8	W454 D455 F458 W792 N794 E847 F862 S867 L868	W454-W865 AromaticContact CE2-CZ3 3.63Å; W454-W865 HydrophobicContact CH2-CE3 4.28Å; W454-W865 HydrophobicContact CH2-CH2 4.3Å; W454-W865 AromaticContact CH2-CZ3 3.74Å; W454-W865 HydrophobicContact CH2-CZ3 3.74Å; W454-W865 HydrophobicContact CZ2-CE3 4.01Å; W454-W865 AromaticContact CZ2-CH2 3.62Å; W454-W865 HydrophobicContact CZ2-CH2 3.62Å; W454-W865 AromaticContact CZ2-CZ3 3.1Å; W454-W865 HydrophobicContact CZ2-CZ3 3.1Å; D455-W865 WeakPolarHBondContact OD1-CZ3 3.35Å; F458-W865 HydrophobicContact CB-CB 4Å; F458-W865 HydrophobicContact CG-CB 4.43Å; W792-W865 AromaticContact CE3-CE2 3.9Å; W792-W865 HydrophobicContact CE3-CH2 4.09Å; W792-W865 AromaticContact CE3-CZ2 3.34Å; W792-W865 HydrophobicContact CE3-CZ2 3.34Å; W792-W865 AromaticContact CZ3-CH2 3.78Å; W792-W865 HydrophobicContact CZ3-CH2 3.78Å; W792-W865 AromaticContact CZ3-CZ2 3.28Å; W792-W865 HydrophobicContact CZ3-CZ2 3.28Å; N794-W865 HydrophobicContact CB-CB 3.77Å; N794-W865 HydrophobicContact CB-CD2 3.93Å; N794-W865 HydrophobicContact CB-CE3 4.21Å; N794-W865 HydrophobicContact CB-CG 3.72Å; E847-W865 HydrophobicContact CG-CZ2 4.04Å; E847-W865 PolarHBondContact O-NE1 3.17Å; F862-W865 AromaticContact CD1-NE1 4Å; F862-W865 AromaticContact CE1-CD1 3.65Å; F862-W865 AromaticContact CE1-CD2 3.72Å; F862-W865 HydrophobicContact CE1-CD2 3.72Å; F862-W865 AromaticContact CE1-CE2 3.35Å; F862-W865 HydrophobicContact CE1-CE3 4.47Å; F862-W865 AromaticContact CE1-CG 3.83Å; F862-W865 HydrophobicContact CE1-CG 3.83Å; F862-W865 AromaticContact CE1-CZ2 3.74Å; F862-W865 HydrophobicContact CE1-CZ2 3.74Å; F862-W865 AromaticContact CE1-NE1 3.32Å; F862-W865 VanDerWaalsContact CE1-NE1 3.32Å; F862-W865 HydrophobicContact CE2-CZ2 4.34Å; F862-W865 HydrophobicContact CZ-CD2 4.02Å; F862-W865 AromaticContact CZ-CE2 3.55Å; F862-W865 HydrophobicContact CZ-CE3 4.4Å; F862-W865 AromaticContact CZ-CH2 3.89Å; F862-W865 HydrophobicContact CZ-CH2 3.89Å; F862-W865 AromaticContact CZ-CZ2 3.42Å; F862-W865 HydrophobicContact CZ-CZ2 3.42Å; F862-W865 VanDerWaalsContact CZ-CZ2 3.42Å; F862-W865 HydrophobicContact CZ-CZ3 4.35Å; F862-W865 AromaticContact CZ-NE1 3.97Å; W865-S867 PolarHBondContact O-N 3.32Å; W865-S867 VanDerWaalsContact O-N 3.16Å; W865-L868 HydrophobicContact CB-CD1 4.08Å; W865-L868 WeakPolarHBondContact O-CB 2.99Å; W865-L868 WeakPolarHBondContact O-CD1 3.23Å; W865-L868 WeakPolarHBondContact O-CG 3.23Å; W865-L868 PolarHBondContact O-N 3.18Å
866	T	98.6	Very high	92.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-64.3	-21.5	176.6	-65.1	0	0	0	0	110.9	I793 V835 L845 W846 Y849 F862 G864 L868 I869	I793-T866 HydrophobicContact CG1-CG2 4.18Å; V835-T866 HydrophobicContact CG1-CG2 4.2Å; L845-T866 HydrophobicContact CB-CG2 3.99Å; L845-T866 HydrophobicContact CD1-CG2 4.41Å; L845-T866 HydrophobicContact CD2-CG2 4.32Å; L845-T866 HydrophobicContact CG-CG2 4.47Å; W846-T866 PolarHBondContact O-OG1 2.88Å; Y849-T866 HydrophobicContact CE2-CG2 4.37Å; Y849-T866 WeakPolarHBondContact OH-CG2 3.37Å; F862-T866 VanDerWaalsContact O-CB 3.31Å; F862-T866 WeakPolarHBondContact O-CB 3.16Å; G864-T866 PolarHBondContact O-N 2.63Å; G864-T866 VanDerWaalsContact O-N 3.08Å; T866-L868 PolarHBondContact O-N 3.35Å; T866-I869 WeakPolarHBondContact O-CB 3.29Å; T866-I869 WeakPolarHBondContact O-CG2 3.46Å; T866-I869 PolarHBondContact O-N 3.39Å; T866-I869 VanDerWaalsContact O-N 3.12Å
867	S	98.3	Very high	90	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.7	171.4	-58.4	0	0	0	0	114	A404 I462 S863 G864 W865 I869 S870	A404-S867 PolarHBondContact O-OG 3.43Å; A404-S867 VanDerWaalsContact O-OG 3.13Å; I462-S867 WeakPolarHBondContact CD1-O 3.34Å; S863-S867 VanDerWaalsContact C-OG 3.28Å; S863-S867 PolarHBondContact O-OG 3.24Å; G864-S867 VanDerWaalsContact O-CB 3.26Å; G864-S867 WeakPolarHBondContact O-CB 3.23Å; G864-S867 PolarHBondContact O-N 3.25Å; G864-S867 PolarHBondContact O-OG 3.09Å; W865-S867 PolarHBondContact O-N 3.32Å; W865-S867 VanDerWaalsContact O-N 3.16Å; S867-I869 PolarHBondContact O-N 3.47Å; S867-S870 WeakPolarHBondContact O-CB 3.49Å; S867-S870 PolarHBondContact O-N 3.2Å; S867-S870 PolarHBondContact O-OG 3.33Å
868	L	98.6	Very high	89.7	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-60.2	-15.2	170.7	-66.9	167.4	0	0	0	113.2	F458 L461 I462 I793 N794 Y797 W865 T866 S870 L871 I872	F458-L868 HydrophobicContact CB-CD1 4.01Å; F458-L868 HydrophobicContact CD1-CD1 3.7Å; F458-L868 HydrophobicContact CG-CD1 4.18Å; L461-L868 HydrophobicContact CB-CD2 4.01Å; L461-L868 HydrophobicContact CD1-CD2 3.98Å; I462-L868 HydrophobicContact CG1-CD2 4.33Å; I793-L868 HydrophobicContact CG2-CB 4.12Å; N794-L868 HydrophobicContact CB-CD1 4.37Å; Y797-L868 HydrophobicContact CD1-CD1 3.96Å; Y797-L868 HydrophobicContact CD1-CD2 4.2Å; Y797-L868 HydrophobicContact CD2-CB 4.02Å; Y797-L868 HydrophobicContact CD2-CD2 4.07Å; Y797-L868 HydrophobicContact CD2-CG 4.45Å; Y797-L868 HydrophobicContact CE1-CD2 4.33Å; Y797-L868 HydrophobicContact CE2-CD2 4.17Å; Y797-L868 HydrophobicContact CG-CB 4.04Å; Y797-L868 HydrophobicContact CG-CD1 3.83Å; Y797-L868 HydrophobicContact CG-CD2 4.09Å; Y797-L868 HydrophobicContact CG-CG 4.23Å; W865-L868 HydrophobicContact CB-CD1 4.08Å; W865-L868 WeakPolarHBondContact O-CB 2.99Å; W865-L868 WeakPolarHBondContact O-CD1 3.23Å; W865-L868 WeakPolarHBondContact O-CG 3.23Å; W865-L868 PolarHBondContact O-N 3.18Å; T866-L868 PolarHBondContact O-N 3.35Å; L868-S870 PolarHBondContact O-N 3.45Å; L868-S870 VanDerWaalsContact O-N 3.15Å; L868-L871 HydrophobicContact CD2-CD1 3.86Å; L868-L871 PolarHBondContact O-N 3.05Å; L868-I872 WeakPolarHBondContact O-CG1 3.33Å; L868-I872 PolarHBondContact O-N 3.21Å
869	I	98.1	Very high	89.5	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-53.6	-33.4	171.2	-162.9	56.5	0	0	0	111.9	L400 A404 L831 A832 V835 T866 S867 L871 I872 I873	L400-I869 HydrophobicContact CD1-CG2 4.33Å; L400-I869 HydrophobicContact CD2-CG1 4.04Å; L400-I869 HydrophobicContact CD2-CG2 4.26Å; L400-I869 HydrophobicContact CG-CG2 4.17Å; A404-I869 HydrophobicContact CB-CG2 4.23Å; L831-I869 HydrophobicContact CB-CD1 3.98Å; A832-I869 HydrophobicContact CB-CD1 4.43Å; V835-I869 HydrophobicContact CB-CG1 4.23Å; V835-I869 HydrophobicContact CG1-CG1 4.38Å; V835-I869 HydrophobicContact CG1-CG2 4.3Å; V835-I869 HydrophobicContact CG2-CD1 4.28Å; V835-I869 HydrophobicContact CG2-CG1 4.26Å; T866-I869 WeakPolarHBondContact O-CB 3.29Å; T866-I869 WeakPolarHBondContact O-CG2 3.46Å; T866-I869 PolarHBondContact O-N 3.39Å; T866-I869 VanDerWaalsContact O-N 3.12Å; S867-I869 PolarHBondContact O-N 3.47Å; I869-L871 VanDerWaalsContact C-N 3.34Å; I869-L871 PolarHBondContact O-N 3.33Å; I869-I872 HydrophobicContact CD1-CB 4.18Å; I869-I872 HydrophobicContact CD1-CD1 4.22Å; I869-I872 HydrophobicContact CD1-CG2 4.13Å; I869-I872 PolarHBondContact O-N 3.24Å; I869-I873 PolarHBondContact O-N 2.85Å
870	S	97.7	Very high	89.5	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-42.5	174.5	-58.1	0	0	0	0	112.1	S401 V405 S867 L868 I873 S874	S401-S870 VanDerWaalsContact CA-OG 3.3Å; S401-S870 WeakPolarHBondContact CA-OG 3.32Å; S401-S870 PolarHBondContact O-OG 3.14Å; S401-S870 WeakPolarHBondContact OG-CA 3.5Å; S401-S870 WeakPolarHBondContact OG-CB 3.44Å; S401-S870 PolarHBondContact OG-OG 2.75Å; V405-S870 WeakPolarHBondContact CG2-OG 3.44Å; S867-S870 WeakPolarHBondContact O-CB 3.49Å; S867-S870 PolarHBondContact O-N 3.2Å; S867-S870 PolarHBondContact O-OG 3.33Å; L868-S870 PolarHBondContact O-N 3.45Å; L868-S870 VanDerWaalsContact O-N 3.15Å; S870-I873 WeakPolarHBondContact O-CG1 3.4Å; S870-S874 VanDerWaalsContact O-CB 3.22Å; S870-S874 WeakPolarHBondContact O-CB 3.34Å; S870-S874 PolarHBondContact O-N 3.02Å; S870-S874 VanDerWaalsContact O-N 3.08Å; S870-S874 PolarHBondContact O-OG 3.07Å
871	L	97.6	Very high	89.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75	-35.5	176.3	-57.6	-172.1	0	0	0	112.5	F386 L461 I462 R465 Y797 L868 I869 I873 S874 D875	F386-L871 HydrophobicContact CD1-CD2 4.09Å; F386-L871 HydrophobicContact CE1-CD2 3.58Å; L461-L871 HydrophobicContact CB-CD1 3.82Å; I462-L871 HydrophobicContact CD1-CD1 4.06Å; I462-L871 HydrophobicContact CD1-CD2 3.96Å; I462-L871 HydrophobicContact CD1-CG 3.56Å; R465-L871 HydrophobicContact CB-CD2 4.32Å; R465-L871 VanDerWaalsContact CD-CD2 3.48Å; R465-L871 HydrophobicContact CG-CD2 4.4Å; Y797-L871 HydrophobicContact CD2-CB 4.16Å; Y797-L871 HydrophobicContact CE2-CB 3.62Å; Y797-L871 HydrophobicContact CE2-CD1 3.77Å; Y797-L871 HydrophobicContact CE2-CG 4.3Å; L868-L871 HydrophobicContact CD2-CD1 3.86Å; L868-L871 PolarHBondContact O-N 3.05Å; I869-L871 VanDerWaalsContact C-N 3.34Å; I869-L871 PolarHBondContact O-N 3.33Å; L871-I873 VanDerWaalsContact C-N 3.27Å; L871-I873 PolarHBondContact O-N 3.32Å; L871-S874 PolarHBondContact O-N 3.04Å; L871-D875 WeakPolarHBondContact O-CB 3.42Å; L871-D875 PolarHBondContact O-N 3.45Å
872	I	97.7	Very high	89.1	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-44.5	176.4	-70	174	0	0	0	109.5	I793 Y797 R804 T828 L831 L868 I869	I793-I872 HydrophobicContact CG2-CD1 4.16Å; Y797-I872 HydrophobicContact CD2-CG1 3.93Å; R804-I872 PolarHBondContact NH1-O 3Å; R804-I872 PolarHBondContact NH2-O 3.32Å; T828-I872 HydrophobicContact CG2-CG2 3.74Å; L831-I872 HydrophobicContact CD1-CD1 3.99Å; L868-I872 WeakPolarHBondContact O-CG1 3.33Å; L868-I872 PolarHBondContact O-N 3.21Å; I869-I872 HydrophobicContact CD1-CB 4.18Å; I869-I872 HydrophobicContact CD1-CD1 4.22Å; I869-I872 HydrophobicContact CD1-CG2 4.13Å; I869-I872 PolarHBondContact O-N 3.24Å
873	I	96	Very high	88.5	Confident	4 Å²	4	19.1 Å²	19.1	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-83.3	-26.1	-179.3	71.4	171.8	0	0	0	114.2	V388 F393 Q397 A832 I869 S870 L871	V388-I873 HydrophobicContact CG2-CD1 4.03Å; V388-I873 HydrophobicContact CG2-CG1 4.01Å; F393-I873 HydrophobicContact CD1-CB 4.33Å; F393-I873 HydrophobicContact CD1-CG2 4.19Å; F393-I873 HydrophobicContact CE1-CB 4.15Å; F393-I873 HydrophobicContact CE1-CG2 3.9Å; F393-I873 HydrophobicContact CE2-CB 4.38Å; F393-I873 WeakPolarHBondContact CE2-O 3.42Å; F393-I873 HydrophobicContact CZ-CB 4.18Å; F393-I873 HydrophobicContact CZ-CG2 4.33Å; Q397-I873 VanDerWaalsContact O-CD1 3.31Å; Q397-I873 WeakPolarHBondContact O-CD1 3.47Å; A832-I873 HydrophobicContact CB-CG2 3.78Å; I869-I873 PolarHBondContact O-N 2.85Å; S870-I873 WeakPolarHBondContact O-CG1 3.4Å; L871-I873 VanDerWaalsContact C-N 3.27Å; L871-I873 PolarHBondContact O-N 3.32Å
874	S	93.5	Very high	88.1	Confident	11 Å²	11	19.7 Å²	19.7	8%	0.077	13%	0.133	C	C	.	.	H	α-helix	trans	-92.2	-25	-175.1	75	0	0	0	0	115	N387 S870 L871 S876	N387-S874 WeakPolarHBondContact O-CA 3.5Å; N387-S874 WeakPolarHBondContact O-CB 3.45Å; S870-S874 VanDerWaalsContact O-CB 3.22Å; S870-S874 WeakPolarHBondContact O-CB 3.34Å; S870-S874 PolarHBondContact O-N 3.02Å; S870-S874 VanDerWaalsContact O-N 3.08Å; S870-S874 PolarHBondContact O-OG 3.07Å; L871-S874 PolarHBondContact O-N 3.04Å; S874-S876 PolarHBondContact O-N 2.83Å
875	D	74.5	Confident	87.6	Confident	28 Å²	28	21.2 Å²	21.2	15%	0.15	14%	0.142	C	C	.	.			trans	-78.7	92.3	179.2	-89.7	-19	0	0	0	110.3	R465 Q801 R804 L871	R465-D875 IonicContact CZ-OD1 2.86Å; R465-D875 IonicContact CZ-OD2 3.86Å; R465-D875 IonicContact NE-OD1 3.79Å; R465-D875 VanDerWaalsContact NH2-CG 3.34Å; R465-D875 IonicContact NH2-OD1 2.77Å; R465-D875 PolarHBondContact NH2-OD1 3.03Å; R465-D875 IonicContact NH2-OD2 3.58Å; R465-D875 PolarHBondContact NH2-OD2 3.36Å; Q801-D875 PolarHBondContact NE2-OD2 2.95Å; R804-D875 PolarHBondContact NE-O 2.98Å; R804-D875 VanDerWaalsContact NH1-CB 3.34Å; R804-D875 PolarHBondContact NH1-O 3.01Å; R804-D875 PolarHBondContact NH2-O 3.42Å; L871-D875 WeakPolarHBondContact O-CB 3.42Å; L871-D875 PolarHBondContact O-N 3.45Å
876	S	52	Low	86.8	Confident	70 Å²	70	22.3 Å²	22.3	49%	0.49	15%	0.152	S	C	.	.			trans	-96.1	-7.2	171.3	50.5	0	0	0	0	114.8	S874	S874-S876 PolarHBondContact O-N 2.83Å
877	S	38.6	Very low	85.7	Confident	154 Å²	154	24.4 Å²	24.4	100%	1.077	17%	0.165	S	C	*	.			trans	-175.9	0	176.2	39.4	0	0	0	0	113.4

Retrieved 877 of 877 residues in 371.4 ms (Link to these results)

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