A0A087YNV0_POEFO Loading...

Cytosolic endo-beta-N-acetylglucosaminidase

Endoglycosidase that releases N-glycans from glycoproteins by cleaving the beta-1,4-glycosidic bond in the N,N'-diacetylchitobiose core. Involved in the processing of free oligosaccharides in the cytosol.

AlphaFold DB , UniProt , Accession A0A087YNV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.7	Very low	29.6	Very low	247 Å²	247	145.1 Å²	145.1	100%	1.217	82%	0.817	S	S	*	*				0	107.5	0	-145.8	168.9	-177.4	0	0	106.5
2	A	30.8	Very low	29.2	Very low	85 Å²	85	138.6 Å²	138.6	70%	0.702	81%	0.806	S	S	*	*			trans	-15.3	151	157.7	0	0	0	0	0	116.6
3	L	30.1	Very low	29	Very low	150 Å²	150	142.4 Å²	142.4	79%	0.785	81%	0.812	S	S	*	*			cis	-170.8	141.9	24.4	-100.6	147.5	0	0	0	109.2
4	T	34.6	Very low	28.8	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	81%	0.814	S	S	*	*			trans	7.7	138.4	139.5	61.6	0	0	0	0	122.2
5	G	26.6	Very low	28.4	Very low	72 Å²	72	138.9 Å²	138.9	74%	0.742	81%	0.811	S	S	*	*			trans	-146.4	165.8	145.8	0	0	0	0	0	107.7
6	D	28.2	Very low	28.6	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	82%	0.815	S	S	*	*			cis	-165.8	170.2	-1.3	-139.7	-21.2	0	0	0	108.8
7	K	32.4	Very low	28.9	Very low	173 Å²	173	138.9 Å²	138.9	75%	0.752	81%	0.81	S	S	*	*			trans	-82.5	161.8	-170.1	-63.6	168.9	173.7	174.5	0	115.5
8	N	28.6	Very low	29	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	81%	0.808	S	S	*	*				156.2	126.5	124.3	-79.7	-25.3	0	0	0	111
9	V	29.1	Very low	29	Very low	121 Å²	121	134.3 Å²	134.3	73%	0.733	81%	0.807	S	S	*	*				71.5	126.3	63.1	169.7	0	0	0	0	110.9
10	I	28.9	Very low	29.1	Very low	136 Å²	136	134.4 Å²	134.4	70%	0.697	80%	0.803	S	S	*	*			cis	-176.4	156	8.1	-108.9	-179.7	0	0	0	109
11	L	27.1	Very low	29	Very low	176 Å²	176	135 Å²	135	92%	0.921	80%	0.802	S	S	*	*			trans	65.6	142.2	159.1	-64.6	160.3	0	0	0	120.9
12	G	25	Very low	29.2	Very low	67 Å²	67	129.8 Å²	129.8	69%	0.691	78%	0.779	S	S	*	*			cis	178.2	164	2.3	0	0	0	0	0	111.4
13	E	26.9	Very low	29.4	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	78%	0.78	S	S	*	*			trans	43	142.5	159.4	-65.3	178.3	168.8	0	0	120.4
14	D	25.6	Very low	29.4	Very low	158 Å²	158	136.6 Å²	136.6	85%	0.845	78%	0.78	S	S	*	*			cis	-168.4	155.4	9.1	-128.3	-19.7	0	0	0	108.2
15	G	23.1	Very low	29.2	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	77%	0.768	S	S	*	*			trans	141.1	92.9	164.8	0	0	0	0	0	118.3
16	L	32.3	Very low	29.8	Very low	167 Å²	167	137.1 Å²	137.1	87%	0.874	76%	0.761	S	S	*	*			trans	-49.5	171.7	172	-79.8	148.2	0	0	0	116.5
17	P	34.2	Very low	30	Very low	112 Å²	112	134.1 Å²	134.1	73%	0.727	75%	0.745	S	S	*	*			cis	-142.2	166.2	17.5	31.9	-7.8	0	0	0	118.9
18	A	30.1	Very low	30.2	Very low	94 Å²	94	129.1 Å²	129.1	78%	0.777	73%	0.729	S	S	*	*			trans	45.9	100.5	138.9	0	0	0	0	0	121.1
19	A	28.4	Very low	30.5	Very low	95 Å²	95	124.5 Å²	124.5	79%	0.785	71%	0.711	S	S	*	*			trans	-173.9	81.9	142.3	0	0	0	0	0	110.3
20	N	31	Very low	30.9	Very low	136 Å²	136	124.4 Å²	124.4	73%	0.727	70%	0.702	S	S	*	*			trans	-155.2	8	165.1	-111.2	-12.9	0	0	0	117.3
21	N	27.2	Very low	31.1	Very low	147 Å²	147	122.7 Å²	122.7	79%	0.786	69%	0.694	S	S	*	*	H	α-helix	trans	-91.4	-7.6	177.4	-78.4	-14.2	0	0	0	114.7
22	L	32.6	Very low	31.3	Very low	139 Å²	139	120.4 Å²	120.4	73%	0.728	68%	0.679	S	S	*	*	H	α-helix	trans	-85.6	-28.7	179	-96	93.4	0	0	0	114.9	K26	L22-K26 PolarHBondContact O-N 3.37Å
23	K	35.3	Very low	31.8	Very low	169 Å²	169	123.5 Å²	123.5	74%	0.735	68%	0.676	S	S	*	*	H	α-helix	trans	-78.5	-29.6	-180	-83.6	-175.3	174	-176.9	0	113.2	N27	K23-N27 PolarHBondContact O-N 2.67Å
24	R	30.5	Very low	32.1	Very low	208 Å²	208	119.5 Å²	119.5	79%	0.785	66%	0.657	S	S	*	*	H	α-helix	trans	-79.2	-31.1	175.6	-144.3	174.7	-173.8	-178.6	0.9	112.2	V28	R24-V28 WeakPolarHBondContact O-CB 3.48Å; R24-V28 WeakPolarHBondContact O-CG2 3.23Å; R24-V28 PolarHBondContact O-N 2.62Å; R24-V28 VanDerWaalsContact O-N 3.17Å
25	S	31.2	Very low	32.4	Very low	77 Å²	77	115.4 Å²	115.4	54%	0.538	64%	0.635	S	S	.	*	H	α-helix	trans	-73.5	-32.1	175.1	-174.3	0	0	0	0	113.1	A29	S25-A29 WeakPolarHBondContact O-CB 3.48Å; S25-A29 PolarHBondContact O-N 3.06Å
26	K	38.2	Very low	32.8	Very low	135 Å²	135	114.5 Å²	114.5	59%	0.587	62%	0.617	S	S	*	*	H	α-helix	trans	-72.1	-43.7	175.2	-83.4	-170.8	171.5	-167.5	0	112.8	L22 V28 A29 E30	L22-K26 PolarHBondContact O-N 3.37Å; K26-V28 VanDerWaalsContact C-N 3.26Å; K26-V28 PolarHBondContact O-N 3.21Å; K26-A29 PolarHBondContact O-N 3.21Å; K26-E30 WeakPolarHBondContact O-CB 3.3Å; K26-E30 WeakPolarHBondContact O-CG 3.26Å; K26-E30 PolarHBondContact O-N 3.36Å
27	N	33	Very low	33.1	Very low	99 Å²	99	112 Å²	112	53%	0.529	60%	0.599	S	S	.	*	H	α-helix	trans	-69.8	-23.5	176	-71.5	14.5	0	0	0	113	K23 N31	K23-N27 PolarHBondContact O-N 2.67Å; N27-N31 VanDerWaalsContact O-CB 3.25Å; N27-N31 WeakPolarHBondContact O-CB 3.16Å; N27-N31 VanDerWaalsContact O-CG 3.23Å; N27-N31 PolarHBondContact O-N 2.58Å; N27-N31 PolarHBondContact O-ND2 3.46Å
28	V	36.5	Very low	33	Very low	69 Å²	69	112.2 Å²	112.2	42%	0.418	59%	0.589	S	S	.	*	H	α-helix	trans	-80.4	-39.8	171.7	172.5	0	0	0	0	110.4	R24 K26 N31 E32	R24-V28 WeakPolarHBondContact O-CB 3.48Å; R24-V28 WeakPolarHBondContact O-CG2 3.23Å; R24-V28 PolarHBondContact O-N 2.62Å; R24-V28 VanDerWaalsContact O-N 3.17Å; K26-V28 VanDerWaalsContact C-N 3.26Å; K26-V28 PolarHBondContact O-N 3.21Å; V28-N31 PolarHBondContact O-N 3.4Å; V28-E32 HydrophobicContact CG1-CG 4.21Å; V28-E32 WeakPolarHBondContact CG1-OE1 3.35Å; V28-E32 VanDerWaalsContact O-CB 3.22Å; V28-E32 WeakPolarHBondContact O-CB 3.28Å; V28-E32 WeakPolarHBondContact O-CG 3.45Å; V28-E32 PolarHBondContact O-N 2.9Å
29	A	35.3	Very low	33	Very low	48 Å²	48	113.3 Å²	113.3	40%	0.397	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-41.4	175.8	0	0	0	0	0	112.8	S25 K26 E32 E33	S25-A29 WeakPolarHBondContact O-CB 3.48Å; S25-A29 PolarHBondContact O-N 3.06Å; K26-A29 PolarHBondContact O-N 3.21Å; A29-E32 PolarHBondContact O-N 2.96Å; A29-E33 WeakPolarHBondContact O-CB 3.2Å; A29-E33 PolarHBondContact O-N 2.64Å
30	E	37	Very low	33.4	Very low	119 Å²	119	118.3 Å²	118.3	56%	0.556	57%	0.574	S	S	*	*	H	α-helix	trans	-66.9	-40.2	175.1	-75.3	171.5	-173.6	0	0	111.5	K26 E33 E34	K26-E30 WeakPolarHBondContact O-CB 3.3Å; K26-E30 WeakPolarHBondContact O-CG 3.26Å; K26-E30 PolarHBondContact O-N 3.36Å; E30-E33 PolarHBondContact O-N 3.43Å; E30-E34 VanDerWaalsContact O-CB 3.24Å; E30-E34 WeakPolarHBondContact O-CB 3.23Å; E30-E34 PolarHBondContact O-N 3.11Å
31	N	32.4	Very low	33.9	Very low	100 Å²	100	114.6 Å²	114.6	54%	0.535	56%	0.557	S	S	.	*	H	α-helix	trans	-67.3	-37.8	171.9	-81	-36.6	0	0	0	111.8	N27 V28 D35	N27-N31 VanDerWaalsContact O-CB 3.25Å; N27-N31 WeakPolarHBondContact O-CB 3.16Å; N27-N31 VanDerWaalsContact O-CG 3.23Å; N27-N31 PolarHBondContact O-N 2.58Å; N27-N31 PolarHBondContact O-ND2 3.46Å; V28-N31 PolarHBondContact O-N 3.4Å; N31-D35 WeakPolarHBondContact O-CA 3.41Å; N31-D35 WeakPolarHBondContact O-CB 3.21Å; N31-D35 PolarHBondContact O-N 3.21Å
32	E	31.2	Very low	34.3	Very low	128 Å²	128	112.8 Å²	112.8	60%	0.598	54%	0.543	S	S	*	.	H	α-helix	trans	-70.4	-33.6	176.9	-78.9	175.4	-178.9	0	0	111.8	V28 A29 S36	V28-E32 HydrophobicContact CG1-CG 4.21Å; V28-E32 WeakPolarHBondContact CG1-OE1 3.35Å; V28-E32 VanDerWaalsContact O-CB 3.22Å; V28-E32 WeakPolarHBondContact O-CB 3.28Å; V28-E32 WeakPolarHBondContact O-CG 3.45Å; V28-E32 PolarHBondContact O-N 2.9Å; A29-E32 PolarHBondContact O-N 2.96Å; E32-S36 WeakPolarHBondContact O-CA 3.35Å; E32-S36 WeakPolarHBondContact O-CB 3.22Å; E32-S36 PolarHBondContact O-N 3.05Å; E32-S36 PolarHBondContact O-OG 3.01Å
33	E	35.8	Very low	34.8	Very low	132 Å²	132	109 Å²	109	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-74.3	-41.3	176	-128.1	175.5	-172.6	0	0	111.7	A29 E30 S36 K37	A29-E33 WeakPolarHBondContact O-CB 3.2Å; A29-E33 PolarHBondContact O-N 2.64Å; E30-E33 PolarHBondContact O-N 3.43Å; E33-S36 WeakPolarHBondContact CA-OG 3.45Å; E33-S36 PolarHBondContact O-N 2.76Å; E33-S36 PolarHBondContact O-OG 3.48Å; E33-K37 WeakPolarHBondContact O-CB 3.28Å; E33-K37 PolarHBondContact O-N 3.16Å
34	E	34.1	Very low	35.4	Very low	103 Å²	103	101.6 Å²	101.6	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-68.1	-39.2	174.2	-159.9	176	-153.9	0	0	111.4	E30 S36 K37 K38	E30-E34 VanDerWaalsContact O-CB 3.24Å; E30-E34 WeakPolarHBondContact O-CB 3.23Å; E30-E34 PolarHBondContact O-N 3.11Å; E34-S36 VanDerWaalsContact C-N 3.34Å; E34-K37 PolarHBondContact O-N 2.9Å; E34-K38 VanDerWaalsContact O-CB 3.29Å; E34-K38 WeakPolarHBondContact O-CB 3.49Å; E34-K38 PolarHBondContact O-N 2.98Å
35	D	32	Very low	36.2	Very low	72 Å²	72	95.8 Å²	95.8	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-71.5	-27.6	172.4	-158.8	46.9	0	0	0	111.2	N31 K39	N31-D35 WeakPolarHBondContact O-CA 3.41Å; N31-D35 WeakPolarHBondContact O-CB 3.21Å; N31-D35 PolarHBondContact O-N 3.21Å; D35-K39 WeakPolarHBondContact O-CA 3.4Å; D35-K39 WeakPolarHBondContact O-CB 3.45Å; D35-K39 VanDerWaalsContact O-CD 3.31Å; D35-K39 WeakPolarHBondContact O-CD 3.13Å; D35-K39 WeakPolarHBondContact O-CG 3.41Å; D35-K39 PolarHBondContact O-N 3.32Å; D35-K39 WeakPolarHBondContact OD2-CE 3.32Å; D35-K39 IonicContact OD2-NZ 3.09Å; D35-K39 PolarHBondContact OD2-NZ 3.22Å
36	S	31.2	Very low	37.1	Very low	56 Å²	56	98.6 Å²	98.6	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-76.5	-35.9	172.1	82.3	0	0	0	0	113.2	E32 E33 E34 R40	E32-S36 WeakPolarHBondContact O-CA 3.35Å; E32-S36 WeakPolarHBondContact O-CB 3.22Å; E32-S36 PolarHBondContact O-N 3.05Å; E32-S36 PolarHBondContact O-OG 3.01Å; E33-S36 WeakPolarHBondContact CA-OG 3.45Å; E33-S36 PolarHBondContact O-N 2.76Å; E33-S36 PolarHBondContact O-OG 3.48Å; E34-S36 VanDerWaalsContact C-N 3.34Å; S36-R40 WeakPolarHBondContact O-CB 3.42Å; S36-R40 PolarHBondContact O-N 3.25Å
37	K	37.7	Very low	37.7	Very low	113 Å²	113	96 Å²	96	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-70.6	-45.3	173.2	-85.3	-179.7	176.5	173.7	0	110	E33 E34 R40 T41 S93	E33-K37 WeakPolarHBondContact O-CB 3.28Å; E33-K37 PolarHBondContact O-N 3.16Å; E34-K37 PolarHBondContact O-N 2.9Å; K37-R40 WeakPolarHBondContact O-CB 3.48Å; K37-R40 PolarHBondContact O-N 3.11Å; K37-T41 PolarHBondContact O-N 3.07Å; K37-T41 PolarHBondContact O-OG1 3.46Å; K37-S93 PolarHBondContact NZ-O 3.42Å
38	K	33.1	Very low	38.6	Very low	118 Å²	118	95.5 Å²	95.5	51%	0.513	48%	0.48	S	S	.	.	H	α-helix	trans	-58.8	-46.8	169.1	-93	-178.2	172.4	175.4	0	112	E34 R40 T41 E42	E34-K38 VanDerWaalsContact O-CB 3.29Å; E34-K38 WeakPolarHBondContact O-CB 3.49Å; E34-K38 PolarHBondContact O-N 2.98Å; K38-R40 VanDerWaalsContact C-N 3.29Å; K38-R40 PolarHBondContact O-N 3.38Å; K38-T41 WeakPolarHBondContact CA-OG1 3.41Å; K38-T41 PolarHBondContact O-N 3.49Å; K38-T41 PolarHBondContact O-OG1 2.88Å; K38-E42 WeakPolarHBondContact O-CB 3.28Å; K38-E42 VanDerWaalsContact O-CG 3.28Å; K38-E42 WeakPolarHBondContact O-CG 3.14Å; K38-E42 PolarHBondContact O-N 3.2Å
39	K	30.4	Very low	39.4	Very low	116 Å²	116	96.9 Å²	96.9	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-32.8	173.9	-81	165.9	176.9	153.9	0	112.2	D35 S43	D35-K39 WeakPolarHBondContact O-CA 3.4Å; D35-K39 WeakPolarHBondContact O-CB 3.45Å; D35-K39 VanDerWaalsContact O-CD 3.31Å; D35-K39 WeakPolarHBondContact O-CD 3.13Å; D35-K39 WeakPolarHBondContact O-CG 3.41Å; D35-K39 PolarHBondContact O-N 3.32Å; D35-K39 WeakPolarHBondContact OD2-CE 3.32Å; D35-K39 IonicContact OD2-NZ 3.09Å; D35-K39 PolarHBondContact OD2-NZ 3.22Å; K39-S43 WeakPolarHBondContact O-CA 3.36Å; K39-S43 WeakPolarHBondContact O-CB 3.4Å; K39-S43 PolarHBondContact O-N 3.24Å; K39-S43 PolarHBondContact O-OG 2.94Å
40	R	37.1	Very low	40.3	Very low	201 Å²	201	102.3 Å²	102.3	76%	0.758	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-47.6	173.9	-98.5	-176.8	168.8	-174.9	-3.2	111.5	S36 K37 K38 S43 C44	S36-R40 WeakPolarHBondContact O-CB 3.42Å; S36-R40 PolarHBondContact O-N 3.25Å; K37-R40 WeakPolarHBondContact O-CB 3.48Å; K37-R40 PolarHBondContact O-N 3.11Å; K38-R40 VanDerWaalsContact C-N 3.29Å; K38-R40 PolarHBondContact O-N 3.38Å; R40-S43 PolarHBondContact O-OG 3.22Å; R40-S43 VanDerWaalsContact O-OG 3.08Å; R40-C44 WeakPolarHBondContact O-CB 3.29Å; R40-C44 PolarHBondContact O-N 2.76Å; R40-C44 VanDerWaalsContact O-N 3.16Å
41	T	39.7	Very low	41.6	Very low	58 Å²	58	98.2 Å²	98.2	36%	0.356	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-50.8	174.9	26.6	0	0	0	0	111.5	K37 K38 S43 C44 F45	K37-T41 PolarHBondContact O-N 3.07Å; K37-T41 PolarHBondContact O-OG1 3.46Å; K38-T41 WeakPolarHBondContact CA-OG1 3.41Å; K38-T41 PolarHBondContact O-N 3.49Å; K38-T41 PolarHBondContact O-OG1 2.88Å; T41-S43 PolarHBondContact O-N 3.12Å; T41-C44 PolarHBondContact O-N 2.98Å; T41-C44 VanDerWaalsContact O-N 3.15Å; T41-F45 WeakPolarHBondContact O-CD2 3.44Å; T41-F45 PolarHBondContact O-N 2.81Å
42	E	36.7	Very low	43.5	Very low	109 Å²	109	96.6 Å²	96.6	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-58.6	-45.2	175.6	-71.8	174.9	176.3	0	0	111.7	K38 C44 F45 D46	K38-E42 WeakPolarHBondContact O-CB 3.28Å; K38-E42 VanDerWaalsContact O-CG 3.28Å; K38-E42 WeakPolarHBondContact O-CG 3.14Å; K38-E42 PolarHBondContact O-N 3.2Å; E42-C44 PolarHBondContact O-N 3.47Å; E42-C44 VanDerWaalsContact O-N 3.17Å; E42-F45 PolarHBondContact O-N 3.02Å; E42-D46 PolarHBondContact O-N 2.84Å
43	S	43.5	Very low	46.2	Very low	59 Å²	59	91.7 Å²	91.7	41%	0.413	47%	0.47	S	S	.	.	H	α-helix	trans	-65.4	-21.1	178.5	76.6	0	0	0	0	113.7	K39 R40 T41 Q47	K39-S43 WeakPolarHBondContact O-CA 3.36Å; K39-S43 WeakPolarHBondContact O-CB 3.4Å; K39-S43 PolarHBondContact O-N 3.24Å; K39-S43 PolarHBondContact O-OG 2.94Å; R40-S43 PolarHBondContact O-OG 3.22Å; R40-S43 VanDerWaalsContact O-OG 3.08Å; T41-S43 PolarHBondContact O-N 3.12Å; S43-Q47 WeakPolarHBondContact O-CG 3.33Å
44	C	47	Very low	48.8	Very low	14 Å²	14	91.8 Å²	91.8	10%	0.095	47%	0.466	C	S	.	.	H	α-helix	trans	-81.6	-34.1	177.9	-140.8	0	0	0	0	111.5	R40 T41 E42 D46 Q47 C613	R40-C44 WeakPolarHBondContact O-CB 3.29Å; R40-C44 PolarHBondContact O-N 2.76Å; R40-C44 VanDerWaalsContact O-N 3.16Å; T41-C44 PolarHBondContact O-N 2.98Å; T41-C44 VanDerWaalsContact O-N 3.15Å; E42-C44 PolarHBondContact O-N 3.47Å; E42-C44 VanDerWaalsContact O-N 3.17Å; C44-D46 VanDerWaalsContact C-N 3.25Å; C44-D46 PolarHBondContact O-N 2.71Å; C44-Q47 PolarHBondContact O-N 3.01Å; C44-C613 HydrophobicContact CB-CB 4.02Å; C44-C613 WeakPolarHBondContact SG-CB 3.2Å
45	F	47.6	Very low	51.6	Low	86 Å²	86	89.7 Å²	89.7	38%	0.377	46%	0.456	S	S	.	.	H	α-helix	trans	-69	-22.6	171.4	-66.3	-72.3	0	0	0	112.8	T41 E42 G611 D643	T41-F45 WeakPolarHBondContact O-CD2 3.44Å; T41-F45 PolarHBondContact O-N 2.81Å; E42-F45 PolarHBondContact O-N 3.02Å; F45-G611 WeakPolarHBondContact CD1-O 3.39Å; F45-D643 HydrophobicContact CD1-CB 4.37Å; F45-D643 HydrophobicContact CE1-CB 4.12Å
46	D	49.3	Very low	54.5	Low	136 Å²	136	89 Å²	89	73%	0.727	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.9	178.1	-71.7	-28.8	0	0	0	114.8	E42 C44	E42-D46 PolarHBondContact O-N 2.84Å; C44-D46 VanDerWaalsContact C-N 3.25Å; C44-D46 PolarHBondContact O-N 2.71Å
47	Q	50.8	Low	57.4	Low	79 Å²	79	86.9 Å²	86.9	37%	0.369	44%	0.439	S	S	.	.	S	Bend	trans	-77.8	135.5	-178.5	-77.7	-178.1	13.4	0	0	111.9	S43 C44	S43-Q47 WeakPolarHBondContact O-CG 3.33Å; C44-Q47 PolarHBondContact O-N 3.01Å
48	P	53	Low	59.8	Low	90 Å²	90	88.2 Å²	88.2	58%	0.584	45%	0.445	S	S	*	.			trans	-54.4	142.8	-179	-21.3	29.4	0	0	0	112.3	D50 S51 R718	P48-D50 PolarHBondContact O-N 3.24Å; P48-S51 WeakPolarHBondContact O-CB 3.22Å; P48-S51 PolarHBondContact O-N 2.91Å; P48-S51 PolarHBondContact O-OG 3.17Å; P48-R718 PolarHBondContact O-NH1 3.36Å
49	V	53.1	Low	62.4	Low	98 Å²	98	88.1 Å²	88.1	59%	0.594	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.2	177.8	-177.5	0	0	0	0	112.2	R717	V49-R717 HydrophobicContact CG1-CG 3.95Å
50	D	53.2	Low	64.8	Low	161 Å²	161	86.1 Å²	86.1	86%	0.861	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.2	179.1	-67.5	-28	0	0	0	114.6	P48 S52	P48-D50 PolarHBondContact O-N 3.24Å; D50-S52 PolarHBondContact O-N 3.3Å
51	S	64.4	Low	66.7	Low	33 Å²	33	82.3 Å²	82.3	23%	0.231	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-78.8	120.9	177.4	62.7	0	0	0	0	111.1	P48 R718	P48-S51 WeakPolarHBondContact O-CB 3.22Å; P48-S51 PolarHBondContact O-N 2.91Å; P48-S51 PolarHBondContact O-OG 3.17Å; S51-R718 PolarHBondContact OG-NH2 2.82Å
52	S	73.8	Confident	68.8	Low	66 Å²	66	81.6 Å²	81.6	46%	0.462	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-83.4	130.4	173.5	60.1	0	0	0	0	110.5	D50	D50-S52 PolarHBondContact O-N 3.3Å
53	V	86.8	Confident	71.2	Confident	26 Å²	26	81.5 Å²	81.5	16%	0.158	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.1	167.5	-177.1	0	0	0	0	108	E55 I614 R718 Q719 L720 S721	V53-E55 HydrophobicContact CG1-CG 4.43Å; V53-I614 HydrophobicContact CG2-CB 4.46Å; V53-R718 HydrophobicContact CG2-CG 4.38Å; V53-Q719 PolarHBondContact N-O 3.26Å; V53-L720 HydrophobicContact CB-CD1 3.78Å; V53-L720 HydrophobicContact CG1-CD1 3.67Å; V53-S721 PolarHBondContact O-N 2.68Å
54	Y	91.3	Very high	73.5	Confident	133 Å²	133	80 Å²	80	52%	0.522	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.7	178.1	-179.2	-91.2	0	0	0	110.3	V56 S721 T723	Y54-V56 HydrophobicContact CE1-CG2 3.65Å; Y54-S721 CarbonylContact C-O 3.49Å; Y54-S721 WeakPolarHBondContact CA-O 3.32Å; Y54-T723 HydrophobicContact CE2-CG2 3.9Å; Y54-T723 VanDerWaalsContact OH-CG2 3.24Å; Y54-T723 WeakPolarHBondContact OH-CG2 3.33Å; Y54-T723 PolarHBondContact OH-OG1 2.9Å
55	E	93.1	Very high	75.5	Confident	59 Å²	59	82.6 Å²	82.6	28%	0.276	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.6	-179.8	-75.6	-63.6	141.7	0	0	111.7	V53 V617 W619 L720 S721 Y722 T723	V53-E55 HydrophobicContact CG1-CG 4.43Å; E55-V617 HydrophobicContact CG-CB 4.5Å; E55-V617 HydrophobicContact CG-CG1 4.21Å; E55-V617 HydrophobicContact CG-CG2 4.35Å; E55-W619 HydrophobicContact CB-CZ2 4.23Å; E55-L720 HydrophobicContact CB-CD1 4.34Å; E55-L720 HydrophobicContact CG-CD1 3.69Å; E55-S721 PolarHBondContact N-O 2.8Å; E55-Y722 WeakPolarHBondContact O-CA 3.29Å; E55-T723 PolarHBondContact O-N 3.23Å; E55-T723 VanDerWaalsContact O-N 3.14Å
56	V	91.9	Very high	77.5	Confident	59 Å²	59	82.1 Å²	82.1	36%	0.358	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.5	167.1	178.6	0	0	0	0	106.8	Y54 K58	Y54-V56 HydrophobicContact CE1-CG2 3.65Å; V56-K58 PolarHBondContact O-N 3.34Å
57	I	91.5	Very high	79.4	Confident	11 Å²	11	79.4 Å²	79.4	6%	0.056	46%	0.457	C	S	.	.			trans	-61.6	123	-174.3	-66.9	162.9	0	0	0	109.8	Y59 W619 L634 P692 Y722 T723	I57-Y59 HydrophobicContact CG2-CD1 4.36Å; I57-Y59 HydrophobicContact CG2-CE1 3.68Å; I57-Y59 HydrophobicContact CG2-CE2 3.88Å; I57-Y59 VanDerWaalsContact CG2-CZ 3.42Å; I57-Y59 WeakPolarHBondContact CG2-OH 3.38Å; I57-W619 HydrophobicContact CB-CG 4.36Å; I57-W619 HydrophobicContact CG1-CD2 3.85Å; I57-W619 HydrophobicContact CG1-CE3 4.2Å; I57-W619 HydrophobicContact CG1-CG 4.18Å; I57-W619 HydrophobicContact CG1-CZ2 4.29Å; I57-W619 HydrophobicContact CG2-CB 3.9Å; I57-W619 HydrophobicContact CG2-CD2 4.37Å; I57-W619 HydrophobicContact CG2-CG 3.93Å; I57-L634 HydrophobicContact CD1-CD1 4.33Å; I57-L634 HydrophobicContact CD1-CD2 3.71Å; I57-L634 HydrophobicContact CG2-CD1 4.48Å; I57-P692 HydrophobicContact CD1-CB 3.86Å; I57-P692 HydrophobicContact CD1-CG 3.7Å; I57-Y722 HydrophobicContact CD1-CD2 3.93Å; I57-Y722 HydrophobicContact CG1-CD2 4.4Å; I57-T723 VanDerWaalsContact CG1-O 3.28Å; I57-T723 WeakPolarHBondContact CG1-O 3.4Å; I57-T723 PolarHBondContact N-O 2.9Å
58	K	89.1	Confident	81.4	Confident	141 Å²	141	76.3 Å²	76.3	61%	0.613	44%	0.442	S	S	*	.			trans	-130.4	127.4	173.8	-67.9	174.8	-173.7	171.9	0	109.3	V56 S60	V56-K58 PolarHBondContact O-N 3.34Å; K58-S60 PolarHBondContact O-N 3.4Å
59	Y	86.6	Confident	83.4	Confident	115 Å²	115	72.9 Å²	72.9	45%	0.451	42%	0.417	S	S	.	.			trans	-90.9	33.7	178.1	-56	-67	0	0	0	112.6	I57 W619 R621 L634	I57-Y59 HydrophobicContact CG2-CD1 4.36Å; I57-Y59 HydrophobicContact CG2-CE1 3.68Å; I57-Y59 HydrophobicContact CG2-CE2 3.88Å; I57-Y59 VanDerWaalsContact CG2-CZ 3.42Å; I57-Y59 WeakPolarHBondContact CG2-OH 3.38Å; Y59-W619 HydrophobicContact CD1-CB 4.4Å; Y59-W619 HydrophobicContact CE1-CB 4.32Å; Y59-R621 HydrophobicContact CE1-CB 4.45Å; Y59-R621 HydrophobicContact CE1-CG 3.77Å; Y59-R621 PolarHBondContact OH-NE 2.87Å; Y59-L634 HydrophobicContact CE1-CD1 4.15Å
60	S	80.7	Confident	85.4	Confident	75 Å²	75	69.9 Å²	69.9	52%	0.524	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71.8	150.8	174.2	48.5	0	0	0	0	110.5	K58	K58-S60 PolarHBondContact O-N 3.4Å
61	P	78.7	Confident	87	Confident	121 Å²	121	66.1 Å²	66.1	79%	0.786	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-51	144.6	169.4	-24.9	34	0	0	0	111.3	A63	P61-A63 PolarHBondContact O-N 2.96Å
62	S	82.3	Confident	88	Confident	43 Å²	43	71 Å²	71	30%	0.301	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-56.7	134.4	176.6	-177.4	0	0	0	0	110.5	L64	S62-L64 PolarHBondContact O-N 3.44Å; S62-L64 VanDerWaalsContact OG-CB 3.31Å; S62-L64 WeakPolarHBondContact OG-CB 3.25Å; S62-L64 WeakPolarHBondContact OG-CG 3.35Å; S62-L64 PolarHBondContact OG-N 2.91Å
63	A	87.6	Confident	88.7	Confident	107 Å²	107	69.2 Å²	69.2	88%	0.884	40%	0.4	S	S	*	.			trans	-78.3	-2.7	171.9	0	0	0	0	0	112.5	P61	P61-A63 PolarHBondContact O-N 2.96Å
64	L	91.1	Very high	89	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.141	39%	0.394	C	S	.	.	S	Bend	trans	-71.4	136.1	180	-66	172.7	0	0	0	111	S62 A66 Y69 D616 R683	S62-L64 PolarHBondContact O-N 3.44Å; S62-L64 VanDerWaalsContact OG-CB 3.31Å; S62-L64 WeakPolarHBondContact OG-CB 3.25Å; S62-L64 WeakPolarHBondContact OG-CG 3.35Å; S62-L64 PolarHBondContact OG-N 2.91Å; L64-A66 PolarHBondContact O-N 3.4Å; L64-Y69 HydrophobicContact CB-CD2 3.66Å; L64-Y69 HydrophobicContact CB-CE2 4.14Å; L64-Y69 HydrophobicContact CB-CG 3.91Å; L64-Y69 HydrophobicContact CD1-CD1 4Å; L64-Y69 HydrophobicContact CD1-CD2 4.41Å; L64-Y69 HydrophobicContact CD1-CE1 4.16Å; L64-Y69 HydrophobicContact CD1-CG 4.11Å; L64-Y69 HydrophobicContact CD2-CD2 4.26Å; L64-Y69 HydrophobicContact CD2-CE2 3.87Å; L64-Y69 HydrophobicContact CG-CD2 4.33Å; L64-Y69 HydrophobicContact CG-CE2 4.42Å; L64-Y69 HydrophobicContact CG-CG 4.48Å; L64-D616 HydrophobicContact CD2-CB 4.09Å; L64-R683 VanDerWaalsContact CD1-NH2 3.25Å
65	P	90.6	Very high	89.2	Confident	69 Å²	69	63.4 Å²	63.4	45%	0.448	38%	0.376	S	S	.	.			trans	-64.1	124	-178.8	-20.7	31.7	0	0	0	111.9	K67 H68 Y69	P65-K67 PolarHBondContact O-N 3.26Å; P65-H68 PolarHBondContact O-N 2.75Å; P65-Y69 PolarHBondContact O-N 3.35Å; P65-Y69 VanDerWaalsContact O-N 3.13Å
66	A	89.6	Confident	89.4	Confident	76 Å²	76	60.6 Å²	60.6	63%	0.628	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.5	177.3	0	0	0	0	0	113.9	L64 H68 Y69	L64-A66 PolarHBondContact O-N 3.4Å; A66-H68 PolarHBondContact O-N 2.92Å; A66-Y69 CarbonylContact C-O 3.58Å
67	K	88.8	Confident	89.6	Confident	79 Å²	79	58.8 Å²	58.8	34%	0.343	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.1	171.5	-177	177.2	-179.8	178.2	0	112.6	P65 C79	P65-K67 PolarHBondContact O-N 3.26Å; K67-C79 PolarHBondContact O-SG 3.49Å
68	H	93.2	Very high	89.8	Confident	13 Å²	13	58.6 Å²	58.6	6%	0.06	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-7.7	-167.5	-72.3	-39.8	0	0	0	113.6	P65 A66 P76 I77 E94 N96	P65-H68 PolarHBondContact O-N 2.75Å; A66-H68 PolarHBondContact O-N 2.92Å; H68-P76 WeakPolarHBondContact O-CA 3.48Å; H68-I77 PolarHBondContact O-N 3.38Å; H68-E94 PolarHBondContact NE2-O 2.92Å; H68-N96 HydrophobicContact CB-CB 3.85Å; H68-N96 PolarHBondContact O-ND2 2.96Å; H68-N96 VanDerWaalsContact O-ND2 3.1Å
69	Y	95.3	Very high	90.1	Very high	18 Å²	18	53.5 Å²	53.5	7%	0.071	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-139	139.5	-179.2	-62	-88.3	0	0	0	109.3	L64 P65 A66 A71 T74 E75 P76 N96 F98	L64-Y69 HydrophobicContact CB-CD2 3.66Å; L64-Y69 HydrophobicContact CB-CE2 4.14Å; L64-Y69 HydrophobicContact CB-CG 3.91Å; L64-Y69 HydrophobicContact CD1-CD1 4Å; L64-Y69 HydrophobicContact CD1-CD2 4.41Å; L64-Y69 HydrophobicContact CD1-CE1 4.16Å; L64-Y69 HydrophobicContact CD1-CG 4.11Å; L64-Y69 HydrophobicContact CD2-CD2 4.26Å; L64-Y69 HydrophobicContact CD2-CE2 3.87Å; L64-Y69 HydrophobicContact CG-CD2 4.33Å; L64-Y69 HydrophobicContact CG-CE2 4.42Å; L64-Y69 HydrophobicContact CG-CG 4.48Å; P65-Y69 PolarHBondContact O-N 3.35Å; P65-Y69 VanDerWaalsContact O-N 3.13Å; A66-Y69 CarbonylContact C-O 3.58Å; Y69-A71 PolarHBondContact O-N 3.4Å; Y69-T74 WeakPolarHBondContact CD1-O 3.22Å; Y69-E75 CarbonylContact C-O 3.44Å; Y69-E75 VanDerWaalsContact CA-O 3.23Å; Y69-E75 WeakPolarHBondContact CA-O 3.35Å; Y69-P76 HydrophobicContact CD1-CB 4.13Å; Y69-P76 HydrophobicContact CE1-CB 3.96Å; Y69-N96 PolarHBondContact OH-OD1 3.44Å; Y69-F98 HydrophobicContact CE1-CD2 4.19Å; Y69-F98 HydrophobicContact CE1-CE2 4.26Å
70	D	93.5	Very high	90.5	Very high	35 Å²	35	48.3 Å²	48.3	19%	0.187	31%	0.313	C	S	.	.			trans	-57.1	135.5	172.4	-175.1	-89.4	0	0	0	110.4	D72 T73 T74 E75 I77 F134	D70-D72 VanDerWaalsContact C-N 3.27Å; D70-D72 PolarHBondContact O-N 2.98Å; D70-D72 PolarHBondContact OD1-N 3.02Å; D70-T73 WeakPolarHBondContact CB-OG1 3.35Å; D70-T73 PolarHBondContact OD1-N 3.32Å; D70-T73 PolarHBondContact OD1-OG1 3.4Å; D70-T74 WeakPolarHBondContact O-CA 3.45Å; D70-T74 PolarHBondContact O-N 3.13Å; D70-E75 HydrophobicContact CB-CB 4.36Å; D70-E75 PolarHBondContact N-O 3.44Å; D70-I77 HydrophobicContact CB-CG2 4.38Å; D70-F134 HydrophobicContact CB-CE1 4.35Å
71	A	88.3	Confident	91.2	Very high	83 Å²	83	45 Å²	45	69%	0.686	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.9	-172.6	0	0	0	0	0	112.8	Y69	Y69-A71 PolarHBondContact O-N 3.4Å
72	D	85.3	Confident	92	Very high	134 Å²	134	43 Å²	43	72%	0.717	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-47.6	-173.8	-63.7	-32.1	0	0	0	110.8	D70	D70-D72 VanDerWaalsContact C-N 3.27Å; D70-D72 PolarHBondContact O-N 2.98Å; D70-D72 PolarHBondContact OD1-N 3.02Å
73	T	88	Confident	92.6	Very high	30 Å²	30	42.7 Å²	42.7	18%	0.184	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-13.8	-174.4	69.5	0	0	0	0	113.1	D70 E75 N637	D70-T73 WeakPolarHBondContact CB-OG1 3.35Å; D70-T73 PolarHBondContact OD1-N 3.32Å; D70-T73 PolarHBondContact OD1-OG1 3.4Å; T73-E75 PolarHBondContact O-N 3.12Å; T73-E75 VanDerWaalsContact OG1-CB 3.26Å; T73-E75 WeakPolarHBondContact OG1-CB 3.43Å; T73-E75 PolarHBondContact OG1-N 3.07Å; T73-N637 PolarHBondContact O-ND2 2.94Å
74	T	93.7	Very high	93.1	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.037	24%	0.24	C	C	.	.			trans	58.1	18.3	-168.9	72.1	0	0	0	0	114	Y69 D70 N637 R683	Y69-T74 WeakPolarHBondContact CD1-O 3.22Å; D70-T74 WeakPolarHBondContact O-CA 3.45Å; D70-T74 PolarHBondContact O-N 3.13Å; T74-N637 PolarHBondContact OG1-ND2 3.13Å; T74-R683 VanDerWaalsContact CB-NH2 3.31Å; T74-R683 WeakPolarHBondContact O-CD 3.43Å; T74-R683 PolarHBondContact O-NE 2.91Å; T74-R683 PolarHBondContact OG1-NE 3.11Å; T74-R683 PolarHBondContact OG1-NH2 2.87Å
75	E	94.8	Very high	93.3	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.14	27%	0.265	C	S	.	.			trans	-65.8	138.4	176.6	-166.9	169.8	-170.7	0	0	110.8	Y69 D70 T73 I77 F134 T685	Y69-E75 CarbonylContact C-O 3.44Å; Y69-E75 VanDerWaalsContact CA-O 3.23Å; Y69-E75 WeakPolarHBondContact CA-O 3.35Å; D70-E75 HydrophobicContact CB-CB 4.36Å; D70-E75 PolarHBondContact N-O 3.44Å; T73-E75 PolarHBondContact O-N 3.12Å; T73-E75 VanDerWaalsContact OG1-CB 3.26Å; T73-E75 WeakPolarHBondContact OG1-CB 3.43Å; T73-E75 PolarHBondContact OG1-N 3.07Å; E75-I77 PolarHBondContact O-N 2.9Å; E75-F134 HydrophobicContact CB-CD1 4.18Å; E75-F134 HydrophobicContact CB-CE1 4.41Å; E75-F134 VanDerWaalsContact CD-CD1 3.49Å; E75-F134 HydrophobicContact CG-CD1 3.9Å; E75-F134 VanDerWaalsContact OE2-CD1 3.31Å; E75-F134 WeakPolarHBondContact OE2-CD1 3.27Å; E75-T685 HydrophobicContact CB-CG2 4.05Å; E75-T685 HydrophobicContact CG-CG2 4.35Å
76	P	96.4	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-67.1	133.4	178.8	28	-33.9	0	0	0	111	H68 Y69 F98 V135 Q136 R683	H68-P76 WeakPolarHBondContact O-CA 3.48Å; Y69-P76 HydrophobicContact CD1-CB 4.13Å; Y69-P76 HydrophobicContact CE1-CB 3.96Å; P76-F98 HydrophobicContact CB-CB 3.61Å; P76-F98 HydrophobicContact CB-CD1 4.13Å; P76-F98 HydrophobicContact CB-CD2 3.73Å; P76-F98 HydrophobicContact CB-CE2 4.43Å; P76-F98 HydrophobicContact CB-CG 3.56Å; P76-F98 HydrophobicContact CG-CB 4.15Å; P76-F98 HydrophobicContact CG-CD1 3.8Å; P76-F98 HydrophobicContact CG-CD2 4.14Å; P76-F98 HydrophobicContact CG-CE1 4.19Å; P76-F98 HydrophobicContact CG-CG 3.78Å; P76-V135 HydrophobicContact CB-CG2 4.08Å; P76-V135 HydrophobicContact CG-CG2 3.93Å; P76-Q136 HydrophobicContact CG-CG 3.92Å; P76-R683 HydrophobicContact CG-CB 4.33Å
77	I	96.6	Very high	94	Very high	22 Å²	22	39.8 Å²	39.8	11%	0.113	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-123.5	144.2	-179.1	59.9	172.3	0	0	0	112.3	H68 D70 E75 N99 R133 F134	H68-I77 PolarHBondContact O-N 3.38Å; D70-I77 HydrophobicContact CB-CG2 4.38Å; E75-I77 PolarHBondContact O-N 2.9Å; I77-N99 PolarHBondContact O-ND2 3.47Å; I77-N99 PolarHBondContact O-OD1 2.92Å; I77-R133 CarbonylContact C-O 3.49Å; I77-R133 VanDerWaalsContact CA-O 3.28Å; I77-R133 WeakPolarHBondContact CA-O 3.44Å; I77-R133 HydrophobicContact CB-CG 4.35Å; I77-R133 HydrophobicContact CG2-CG 4.17Å; I77-F134 HydrophobicContact CG2-CD1 3.71Å; I77-F134 HydrophobicContact CG2-CE1 3.7Å; I77-F134 HydrophobicContact CG2-CZ 4.5Å
78	S	96	Very high	94.5	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.042	23%	0.232	C	C	.	.			trans	-84	142.6	164.4	-70.9	0	0	0	0	110.7	N99 Y129 R133 V135 P167	S78-N99 PolarHBondContact N-OD1 3.27Å; S78-N99 PolarHBondContact OG-OD1 3.14Å; S78-Y129 WeakPolarHBondContact O-CD1 3.46Å; S78-R133 PolarHBondContact N-O 3.26Å; S78-V135 WeakPolarHBondContact OG-CG1 3.46Å; S78-P167 WeakPolarHBondContact OG-CA 3.11Å
79	C	94.7	Very high	94.6	Very high	35 Å²	35	42.5 Å²	42.5	24%	0.236	25%	0.254	C	S	.	.			trans	-152.8	157	177	61.5	0	0	0	0	110.4	K67	K67-C79 PolarHBondContact O-SG 3.49Å
80	G	95.1	Very high	94.7	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	25%	0.253	C	S	.	.			trans	-85.8	-173.4	168.7	0	0	0	0	0	112.1	Y129 V163	G80-Y129 VanDerWaalsContact N-CZ 3.34Å; G80-Y129 PolarHBondContact N-OH 2.96Å; G80-V163 CarbonylContact C-O 3.56Å; G80-V163 WeakPolarHBondContact CA-O 3.48Å
81	L	96.3	Very high	94.7	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-113.3	128.6	172.5	-43.9	174.6	0	0	0	108.5	E86 L87 V163 I216	L81-E86 WeakPolarHBondContact CA-OE2 3.39Å; L81-E86 HydrophobicContact CB-CB 4.01Å; L81-E86 HydrophobicContact CD2-CB 4.37Å; L81-L87 HydrophobicContact CD1-CB 4.2Å; L81-L87 HydrophobicContact CD1-CD1 4.05Å; L81-V163 HydrophobicContact CB-CB 3.88Å; L81-V163 HydrophobicContact CB-CG2 4.18Å; L81-V163 HydrophobicContact CD1-CB 4.27Å; L81-V163 HydrophobicContact CD1-CG1 4.33Å; L81-V163 HydrophobicContact CD1-CG2 4.4Å; L81-V163 HydrophobicContact CG-CB 4.18Å; L81-V163 PolarHBondContact N-O 3.01Å; L81-V163 PolarHBondContact O-N 2.78Å; L81-I216 HydrophobicContact CD1-CD1 3.83Å
82	S	94.5	Very high	95	Very high	78 Å²	78	46.7 Å²	46.7	55%	0.545	25%	0.252	S	S	.	.			trans	-91.9	-9.4	-172.6	-63.3	0	0	0	0	113.2	E86	S82-E86 PolarHBondContact N-OE2 3.39Å
83	S	95.8	Very high	95.2	Very high	38 Å²	38	43.8 Å²	43.8	27%	0.266	24%	0.242	S	C	.	.	S	Bend	trans	-147.1	159.5	-177.3	73.3	0	0	0	0	114	N85 E86 L87 M162	S83-N85 PolarHBondContact O-N 3.13Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 WeakPolarHBondContact OG-CG 3.29Å; S83-E86 PolarHBondContact OG-N 3.03Å; S83-L87 PolarHBondContact O-N 3.29Å; S83-L87 VanDerWaalsContact O-N 3.15Å; S83-M162 VanDerWaalsContact C-SD 3.55Å
84	M	97.1	Very high	95.2	Very high	22 Å²	22	48.7 Å²	48.7	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-33.2	175.8	-173	56.2	69.8	0	0	112.3	L87 L88 M162 F185 V195 F199 V209	M84-L87 PolarHBondContact O-N 3.24Å; M84-L87 HydrophobicContact SD-CD2 4.03Å; M84-L88 HydrophobicContact CG-CD1 3.93Å; M84-L88 HydrophobicContact CG-CG 4.31Å; M84-L88 WeakPolarHBondContact O-CB 3.48Å; M84-L88 WeakPolarHBondContact O-CG 3.16Å; M84-L88 PolarHBondContact O-N 3.47Å; M84-L88 HydrophobicContact SD-CD1 4.23Å; M84-L88 HydrophobicContact SD-CG 4.11Å; M84-M162 HydrophobicContact CB-SD 4.18Å; M84-M162 HydrophobicContact CE-SD 4.35Å; M84-M162 PolarHBondContact N-SD 2.89Å; M84-F185 HydrophobicContact CE-CE2 4.22Å; M84-F185 HydrophobicContact CE-CZ 3.96Å; M84-V195 HydrophobicContact CB-CG1 4.22Å; M84-V195 HydrophobicContact CE-CG1 3.45Å; M84-V195 VanDerWaalsContact CE-CG1 3.45Å; M84-F199 HydrophobicContact CE-CB 4.04Å; M84-F199 HydrophobicContact CE-CD1 3.79Å; M84-F199 HydrophobicContact CE-CG 4.03Å; M84-V209 HydrophobicContact CE-CG1 4.38Å; M84-V209 HydrophobicContact CE-CG2 3.96Å; M84-V209 HydrophobicContact SD-CG2 3.48Å; M84-V209 WeakPolarHBondContact SD-CG2 3.24Å
85	N	96.8	Very high	95.1	Very high	127 Å²	127	48.8 Å²	48.8	68%	0.679	26%	0.264	S	S	*	.	H	α-helix	trans	-65.5	-41	176.1	-73.8	-16.6	0	0	0	111.7	S83 L87 S89	S83-N85 PolarHBondContact O-N 3.13Å; N85-L87 VanDerWaalsContact C-N 3.32Å; N85-S89 VanDerWaalsContact O-CB 3.24Å; N85-S89 WeakPolarHBondContact O-CB 3.43Å; N85-S89 PolarHBondContact O-N 3.2Å; N85-S89 PolarHBondContact O-OG 3.17Å
86	E	96.4	Very high	95.1	Very high	68 Å²	68	47.5 Å²	47.5	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-37.4	175	-72.8	175.6	-171	0	0	111.9	L81 S82 S83 S89 W90	L81-E86 WeakPolarHBondContact CA-OE2 3.39Å; L81-E86 HydrophobicContact CB-CB 4.01Å; L81-E86 HydrophobicContact CD2-CB 4.37Å; S82-E86 PolarHBondContact N-OE2 3.39Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 WeakPolarHBondContact OG-CG 3.29Å; S83-E86 PolarHBondContact OG-N 3.03Å; E86-S89 WeakPolarHBondContact CA-OG 3.44Å; E86-S89 PolarHBondContact O-OG 3.27Å; E86-W90 PolarHBondContact O-N 3.45Å; E86-W90 VanDerWaalsContact O-N 3.1Å
87	L	98.1	Very high	95	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-51.9	175.1	178.2	58.6	0	0	0	111.9	L81 S83 M84 N85 S89 W90 V163 F185 V209 K212 L213 I216	L81-L87 HydrophobicContact CD1-CB 4.2Å; L81-L87 HydrophobicContact CD1-CD1 4.05Å; S83-L87 PolarHBondContact O-N 3.29Å; S83-L87 VanDerWaalsContact O-N 3.15Å; M84-L87 PolarHBondContact O-N 3.24Å; M84-L87 HydrophobicContact SD-CD2 4.03Å; N85-L87 VanDerWaalsContact C-N 3.32Å; L87-S89 VanDerWaalsContact C-N 3.31Å; L87-S89 PolarHBondContact O-N 3.24Å; L87-W90 VanDerWaalsContact O-CB 3.27Å; L87-W90 WeakPolarHBondContact O-CB 3.49Å; L87-W90 PolarHBondContact O-N 3.21Å; L87-V163 HydrophobicContact CB-CG2 4.17Å; L87-V163 HydrophobicContact CD1-CG2 4.1Å; L87-V163 HydrophobicContact CD2-CG2 3.86Å; L87-V163 HydrophobicContact CG-CG2 4.26Å; L87-F185 HydrophobicContact CD2-CE2 4.22Å; L87-V209 HydrophobicContact CD2-CG1 3.84Å; L87-K212 HydrophobicContact CD1-CB 3.58Å; L87-K212 HydrophobicContact CG-CB 4Å; L87-K212 WeakPolarHBondContact O-CD 3.47Å; L87-K212 WeakPolarHBondContact O-CG 3.42Å; L87-L213 HydrophobicContact CD1-CD2 4.05Å; L87-L213 HydrophobicContact CD2-CD2 4.16Å; L87-L213 HydrophobicContact CD2-CG 4.44Å; L87-I216 HydrophobicContact CD1-CD1 3.55Å
88	L	98.2	Very high	95	Very high	76 Å²	76	48.9 Å²	48.9	40%	0.398	27%	0.268	S	S	.	.	H	α-helix	trans	-69	-29.4	-176.9	-68	175	0	0	0	112.8	M84 A208 V209 K212	M84-L88 HydrophobicContact CG-CD1 3.93Å; M84-L88 HydrophobicContact CG-CG 4.31Å; M84-L88 WeakPolarHBondContact O-CB 3.48Å; M84-L88 WeakPolarHBondContact O-CG 3.16Å; M84-L88 PolarHBondContact O-N 3.47Å; M84-L88 HydrophobicContact SD-CD1 4.23Å; M84-L88 HydrophobicContact SD-CG 4.11Å; L88-A208 HydrophobicContact CD2-CB 4.11Å; L88-V209 HydrophobicContact CD2-CG2 4.02Å; L88-K212 WeakPolarHBondContact O-CE 3.31Å
89	S	96.7	Very high	95	Very high	74 Å²	74	49 Å²	49	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-82.2	-13.1	174.2	60.3	0	0	0	0	114	N85 E86 L87 N91	N85-S89 VanDerWaalsContact O-CB 3.24Å; N85-S89 WeakPolarHBondContact O-CB 3.43Å; N85-S89 PolarHBondContact O-N 3.2Å; N85-S89 PolarHBondContact O-OG 3.17Å; E86-S89 WeakPolarHBondContact CA-OG 3.44Å; E86-S89 PolarHBondContact O-OG 3.27Å; L87-S89 VanDerWaalsContact C-N 3.31Å; L87-S89 PolarHBondContact O-N 3.24Å; S89-N91 PolarHBondContact O-N 2.9Å; S89-N91 PolarHBondContact O-ND2 2.98Å
90	W	96.6	Very high	95.1	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.057	27%	0.272	C	S	.	.			trans	-56.1	132.9	179.6	-176.1	94.3	0	0	0	110.5	E86 L87 R92 A95 K212 Q215 I216 Y219 Y220	E86-W90 PolarHBondContact O-N 3.45Å; E86-W90 VanDerWaalsContact O-N 3.1Å; L87-W90 VanDerWaalsContact O-CB 3.27Å; L87-W90 WeakPolarHBondContact O-CB 3.49Å; L87-W90 PolarHBondContact O-N 3.21Å; W90-R92 HydrophobicContact CH2-CB 4.46Å; W90-A95 HydrophobicContact CZ2-CB 3.77Å; W90-K212 HydrophobicContact CE3-CD 4.42Å; W90-K212 WeakPolarHBondContact O-CE 3.42Å; W90-K212 PolarHBondContact O-NZ 2.7Å; W90-Q215 HydrophobicContact CE3-CB 4.31Å; W90-Q215 HydrophobicContact CH2-CB 4.32Å; W90-Q215 HydrophobicContact CZ3-CB 3.62Å; W90-I216 HydrophobicContact CB-CD1 4.38Å; W90-I216 HydrophobicContact CD2-CD1 4.11Å; W90-I216 HydrophobicContact CD2-CG1 3.51Å; W90-I216 HydrophobicContact CE3-CG1 3.87Å; W90-I216 HydrophobicContact CG-CD1 3.97Å; W90-I216 HydrophobicContact CG-CG1 3.91Å; W90-I216 HydrophobicContact CH2-CG1 4.31Å; W90-I216 HydrophobicContact CZ2-CG1 3.99Å; W90-I216 HydrophobicContact CZ3-CG1 4.28Å; W90-Y219 HydrophobicContact CH2-CD1 4.36Å; W90-Y219 HydrophobicContact CH2-CG 4.21Å; W90-Y219 AromaticContact CZ2-CD1 4Å; W90-Y219 HydrophobicContact CZ2-CD1 4Å; W90-Y219 HydrophobicContact CZ2-CG 4.31Å; W90-Y220 HydrophobicContact CZ2-CE2 4.27Å
91	N	94.3	Very high	95.2	Very high	40 Å²	40	50.4 Å²	50.4	21%	0.214	28%	0.276	C	S	.	.			trans	-144.2	152.8	177.6	61.4	79.2	0	0	0	110	S89 S93 E94 A95	S89-N91 PolarHBondContact O-N 2.9Å; S89-N91 PolarHBondContact O-ND2 2.98Å; N91-S93 VanDerWaalsContact C-N 3.27Å; N91-S93 PolarHBondContact O-N 2.86Å; N91-S93 PolarHBondContact OD1-N 3.32Å; N91-S93 PolarHBondContact OD1-OG 2.76Å; N91-E94 PolarHBondContact ND2-OE2 3.47Å; N91-E94 PolarHBondContact O-N 2.82Å; N91-E94 WeakPolarHBondContact OD1-CB 3.31Å; N91-E94 WeakPolarHBondContact OD1-CG 3.36Å; N91-E94 PolarHBondContact OD1-N 3.47Å; N91-A95 PolarHBondContact O-N 3.34Å
92	R	93.3	Very high	95.1	Very high	168 Å²	168	52 Å²	52	63%	0.634	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.9	-34.4	-177.5	-176.1	179	178.7	-178.9	2.4	112.8	W90 E94 A95 Y219	W90-R92 HydrophobicContact CH2-CB 4.46Å; R92-E94 PolarHBondContact O-N 3.12Å; R92-A95 PolarHBondContact O-N 2.83Å; R92-Y219 HydrophobicContact CG-CD2 3.71Å; R92-Y219 HydrophobicContact CG-CE2 3.61Å
93	S	90.4	Very high	95.1	Very high	73 Å²	73	50.1 Å²	50.1	51%	0.51	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.9	-19	-176.3	41.6	0	0	0	0	114.8	K37 N91	K37-S93 PolarHBondContact NZ-O 3.42Å; N91-S93 VanDerWaalsContact C-N 3.27Å; N91-S93 PolarHBondContact O-N 2.86Å; N91-S93 PolarHBondContact OD1-N 3.32Å; N91-S93 PolarHBondContact OD1-OG 2.76Å
94	E	87.8	Confident	95.1	Very high	133 Å²	133	53.3 Å²	53.3	62%	0.621	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-106.6	-8.7	177.4	-68	174.6	173	0	0	112.7	H68 N91 R92	H68-E94 PolarHBondContact NE2-O 2.92Å; N91-E94 PolarHBondContact ND2-OE2 3.47Å; N91-E94 PolarHBondContact O-N 2.82Å; N91-E94 WeakPolarHBondContact OD1-CB 3.31Å; N91-E94 WeakPolarHBondContact OD1-CG 3.36Å; N91-E94 PolarHBondContact OD1-N 3.47Å; R92-E94 PolarHBondContact O-N 3.12Å
95	A	92.2	Very high	95	Very high	8 Å²	8	54.5 Å²	54.5	7%	0.066	30%	0.302	C	S	.	.	S	Bend	trans	-70.6	141.3	-179.8	0	0	0	0	0	111.7	W90 N91 R92 P97 Y219 Y220	W90-A95 HydrophobicContact CZ2-CB 3.77Å; N91-A95 PolarHBondContact O-N 3.34Å; R92-A95 PolarHBondContact O-N 2.83Å; A95-P97 WeakPolarHBondContact O-CD 3.3Å; A95-Y219 HydrophobicContact CB-CD1 3.86Å; A95-Y219 HydrophobicContact CB-CE1 3.33Å; A95-Y220 HydrophobicContact CB-CE1 4.42Å
96	N	93.3	Very high	94.9	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	28%	0.278	C	S	.	.			trans	-81.8	117.8	-177.3	-170.4	-11.4	0	0	0	111.3	H68 Y69 F98 N99	H68-N96 HydrophobicContact CB-CB 3.85Å; H68-N96 PolarHBondContact O-ND2 2.96Å; H68-N96 VanDerWaalsContact O-ND2 3.1Å; Y69-N96 PolarHBondContact OH-OD1 3.44Å; N96-F98 PolarHBondContact O-N 3.45Å; N96-F98 WeakPolarHBondContact OD1-CB 3.5Å; N96-F98 VanDerWaalsContact OD1-CD2 3.3Å; N96-F98 WeakPolarHBondContact OD1-CD2 3.35Å; N96-F98 PolarHBondContact OD1-N 2.94Å; N96-N99 PolarHBondContact O-N 2.73Å; N96-N99 VanDerWaalsContact O-N 3.14Å
97	P	94.8	Very high	94.9	Very high	40 Å²	40	50.5 Å²	50.5	26%	0.26	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62	-22.7	178.4	27	-36.7	0	0	0	113.4	A95 N99 V100 Q681	A95-P97 WeakPolarHBondContact O-CD 3.3Å; P97-N99 PolarHBondContact O-N 3.37Å; P97-V100 WeakPolarHBondContact O-CB 3.03Å; P97-V100 PolarHBondContact O-N 3.35Å; P97-Q681 PolarHBondContact O-NE2 3.23Å
98	F	96.3	Very high	94.6	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.048	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-62	-23	176	-78.3	-76.3	0	0	0	113.5	Y69 P76 N96 V135 T639 Q681 R683	Y69-F98 HydrophobicContact CE1-CD2 4.19Å; Y69-F98 HydrophobicContact CE1-CE2 4.26Å; P76-F98 HydrophobicContact CB-CB 3.61Å; P76-F98 HydrophobicContact CB-CD1 4.13Å; P76-F98 HydrophobicContact CB-CD2 3.73Å; P76-F98 HydrophobicContact CB-CE2 4.43Å; P76-F98 HydrophobicContact CB-CG 3.56Å; P76-F98 HydrophobicContact CG-CB 4.15Å; P76-F98 HydrophobicContact CG-CD1 3.8Å; P76-F98 HydrophobicContact CG-CD2 4.14Å; P76-F98 HydrophobicContact CG-CE1 4.19Å; P76-F98 HydrophobicContact CG-CG 3.78Å; N96-F98 PolarHBondContact O-N 3.45Å; N96-F98 WeakPolarHBondContact OD1-CB 3.5Å; N96-F98 VanDerWaalsContact OD1-CD2 3.3Å; N96-F98 WeakPolarHBondContact OD1-CD2 3.35Å; N96-F98 PolarHBondContact OD1-N 2.94Å; F98-V135 HydrophobicContact CB-CG2 3.93Å; F98-T639 HydrophobicContact CE2-CG2 4.05Å; F98-T639 HydrophobicContact CZ-CG2 3.91Å; F98-Q681 VanDerWaalsContact CA-NE2 3.35Å; F98-Q681 HydrophobicContact CD1-CG 3.97Å; F98-Q681 HydrophobicContact CE1-CB 4.24Å; F98-Q681 HydrophobicContact CE1-CG 3.81Å; F98-Q681 HydrophobicContact CZ-CB 4.49Å; F98-Q681 HydrophobicContact CZ-CG 4.41Å; F98-R683 HydrophobicContact CE1-CB 4.15Å; F98-R683 HydrophobicContact CE2-CB 4.3Å; F98-R683 HydrophobicContact CZ-CB 3.67Å
99	N	96.6	Very high	94.1	Very high	9 Å²	9	51 Å²	51	5%	0.048	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-92.5	7	179.8	-65.8	-30.5	0	0	0	113.2	I77 S78 N96 P97 V135 Y220	I77-N99 PolarHBondContact O-ND2 3.47Å; I77-N99 PolarHBondContact O-OD1 2.92Å; S78-N99 PolarHBondContact N-OD1 3.27Å; S78-N99 PolarHBondContact OG-OD1 3.14Å; N96-N99 PolarHBondContact O-N 2.73Å; N96-N99 VanDerWaalsContact O-N 3.14Å; P97-N99 PolarHBondContact O-N 3.37Å; N99-V135 VanDerWaalsContact OD1-CG1 3.25Å; N99-V135 WeakPolarHBondContact OD1-CG1 3.43Å; N99-Y220 HydrophobicContact CB-CD1 3.93Å; N99-Y220 HydrophobicContact CB-CE1 3.73Å; N99-Y220 WeakPolarHBondContact O-CD1 3.37Å
100	V	97.3	Very high	93.6	Very high	51 Å²	51	49 Å²	49	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	-82.7	128.4	175.2	-179.9	0	0	0	0	109.6	P97 A102 Y219 Y220	P97-V100 WeakPolarHBondContact O-CB 3.03Å; P97-V100 PolarHBondContact O-N 3.35Å; V100-A102 PolarHBondContact O-N 3.4Å; V100-Y219 HydrophobicContact CG2-CD1 4.31Å; V100-Y219 HydrophobicContact CG2-CE1 3.83Å; V100-Y220 HydrophobicContact CG2-CD1 4.07Å
101	A	96.3	Very high	93.4	Very high	18 Å²	18	56.1 Å²	56.1	15%	0.149	30%	0.301	C	S	.	.			trans	-62	129.2	174.3	0	0	0	0	0	110.7	T171 N172 Y220	A101-T171 HydrophobicContact CB-CG2 3.57Å; A101-N172 WeakPolarHBondContact CA-OD1 3.48Å; A101-Y220 WeakPolarHBondContact CB-O 3.41Å; A101-Y220 PolarHBondContact N-O 3.11Å
102	A	94.4	Very high	93.2	Very high	38 Å²	38	55.2 Å²	55.2	31%	0.314	30%	0.296	S	S	.	.	S	Bend	trans	-91	-15.8	179.9	0	0	0	0	0	112.6	V100 N172	V100-A102 PolarHBondContact O-N 3.4Å; A102-N172 PolarHBondContact N-OD1 2.91Å
103	V	94.6	Very high	93	Very high	39 Å²	39	52.5 Å²	52.5	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-107	119	-178.3	-175.5	0	0	0	0	109.5	N172 H175 K176	V103-N172 HydrophobicContact CB-CB 4.27Å; V103-N172 HydrophobicContact CG2-CB 3.93Å; V103-N172 PolarHBondContact N-OD1 3.15Å; V103-H175 HydrophobicContact CB-CB 4.44Å; V103-H175 HydrophobicContact CG1-CB 4.15Å; V103-H175 WeakPolarHBondContact O-CB 3.46Å; V103-H175 PolarHBondContact O-ND1 3.49Å; V103-K176 HydrophobicContact CG1-CB 4.24Å
104	P	94.9	Very high	93	Very high	105 Å²	105	53.2 Å²	53.2	68%	0.682	30%	0.296	S	S	*	.			trans	-71.6	153.4	174	30.7	-34.8	0	0	0	111.1	A106	P104-A106 PolarHBondContact O-N 3.48Å; P104-A106 VanDerWaalsContact O-N 3.09Å
105	L	96.5	Very high	93.1	Very high	48 Å²	48	47.6 Å²	47.6	25%	0.251	27%	0.271	S	S	.	.			trans	-57.4	114.2	177.6	178.5	62.3	0	0	0	110.8	H175 V179 I180	L105-H175 PolarHBondContact N-ND1 3.27Å; L105-V179 WeakPolarHBondContact CD1-O 3.32Å; L105-I180 HydrophobicContact CD2-CG1 4.07Å
106	A	95.1	Very high	92.9	Very high	23 Å²	23	53.5 Å²	53.5	19%	0.19	30%	0.301	C	S	.	.			trans	-67.3	138.2	177.9	0	0	0	0	0	110.3	P104 H175 G178	P104-A106 PolarHBondContact O-N 3.48Å; P104-A106 VanDerWaalsContact O-N 3.09Å; A106-H175 WeakPolarHBondContact CB-O 3.47Å; A106-H175 PolarHBondContact N-O 3.17Å; A106-G178 WeakPolarHBondContact O-CA 3.24Å
107	P	94.8	Very high	92.9	Very high	88 Å²	88	56.6 Å²	56.6	57%	0.571	31%	0.312	S	S	*	.			trans	-64.7	159.6	172	26.2	-29.6	0	0	0	110.1	A392	P107-A392 HydrophobicContact CB-CB 4.2Å; P107-A392 WeakPolarHBondContact CD-O 3.42Å; P107-A392 HydrophobicContact CG-CB 4.06Å; P107-A392 WeakPolarHBondContact CG-O 3.48Å; P107-A392 WeakPolarHBondContact O-CA 3.4Å; P107-A392 WeakPolarHBondContact O-CB 3.43Å; P107-A392 PolarHBondContact O-N 3.2Å
108	R	91.6	Very high	92.9	Very high	16 Å²	16	55.5 Å²	55.5	6%	0.06	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.6	179.4	77.8	-157	-166.1	109.8	11	113.2	P110 D153 G178 H389 R390	R108-P110 WeakPolarHBondContact CG-O 3.25Å; R108-P110 CarbonylContact O-C 3.41Å; R108-D153 IonicContact CZ-OD1 2.67Å; R108-D153 IonicContact NH1-OD1 3.09Å; R108-D153 PolarHBondContact NH1-OD1 2.69Å; R108-D153 IonicContact NH2-OD1 3.53Å; R108-D153 PolarHBondContact NH2-OD1 3.34Å; R108-G178 WeakPolarHBondContact CD-O 3.42Å; R108-H389 PolarHBondContact NH1-ND1 3.35Å; R108-R390 CarbonylContact C-O 3.6Å; R108-R390 VanDerWaalsContact CA-O 3.25Å; R108-R390 WeakPolarHBondContact CA-O 3.26Å; R108-R390 WeakPolarHBondContact CB-O 3.31Å
109	K	87.9	Confident	93	Very high	69 Å²	69	55 Å²	55	30%	0.3	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.7	177.6	-65.5	-68	-174.5	168.6	0	111.7	R390 H482	K109-R390 HydrophobicContact CB-CB 4.43Å; K109-R390 PolarHBondContact N-O 2.85Å; K109-R390 WeakPolarHBondContact O-CB 3.2Å; K109-R390 PolarHBondContact O-N 2.73Å; K109-H482 HydrophobicContact CB-CB 4.46Å; K109-H482 HydrophobicContact CG-CB 4.05Å
110	P	87.5	Confident	93.1	Very high	32 Å²	32	54.6 Å²	54.6	21%	0.208	30%	0.299	C	S	.	.	S	Bend	cis	-62.7	160.6	-10.8	29	-34.3	0	0	0	111.5	R108 N114 V520	R108-P110 WeakPolarHBondContact CG-O 3.25Å; R108-P110 CarbonylContact O-C 3.41Å; P110-N114 HydrophobicContact CB-CB 4.32Å; P110-V520 HydrophobicContact CB-CG2 4.32Å
111	R	90.8	Very high	93.2	Very high	166 Å²	166	52.3 Å²	52.3	63%	0.626	29%	0.285	S	S	*	.			trans	-63.2	150.6	171.9	-70.1	-178	175.4	165.4	-1.8	109	V113 N114 C115	R111-V113 VanDerWaalsContact C-N 3.27Å; R111-V113 HydrophobicContact CB-CG2 4.03Å; R111-V113 PolarHBondContact O-N 3.48Å; R111-N114 WeakPolarHBondContact O-CA 3.22Å; R111-N114 WeakPolarHBondContact O-CB 3.37Å; R111-N114 PolarHBondContact O-N 3.08Å; R111-C115 PolarHBondContact O-N 2.93Å
112	L	91.3	Very high	93.3	Very high	21 Å²	21	51.4 Å²	51.4	11%	0.11	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-53	-43.1	-178.3	179.5	69.5	0	0	0	113.5	N114 C115 R118 D153 I180 L260	L112-N114 PolarHBondContact O-N 3.28Å; L112-N114 VanDerWaalsContact O-N 3.13Å; L112-C115 VanDerWaalsContact O-CB 3.32Å; L112-C115 WeakPolarHBondContact O-CB 3.24Å; L112-C115 PolarHBondContact O-N 2.95Å; L112-R118 HydrophobicContact CD1-CG 3.95Å; L112-R118 PolarHBondContact O-NE 3.43Å; L112-D153 HydrophobicContact CD1-CB 3.73Å; L112-I180 HydrophobicContact CD2-CD1 3.36Å; L112-I180 HydrophobicContact CD2-CG1 4.38Å; L112-L260 HydrophobicContact CD2-CD1 3.88Å
113	V	89.5	Confident	93.3	Very high	110 Å²	110	49.7 Å²	49.7	67%	0.667	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-58.6	-24.3	177.8	-65.3	0	0	0	0	113.3	R111	R111-V113 VanDerWaalsContact C-N 3.27Å; R111-V113 HydrophobicContact CB-CG2 4.03Å; R111-V113 PolarHBondContact O-N 3.48Å
114	N	89.9	Confident	93.3	Very high	88 Å²	88	48.5 Å²	48.5	47%	0.471	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-97	-2.8	178.3	-62.1	-5.9	0	0	0	112.6	P110 R111 L112 L116	P110-N114 HydrophobicContact CB-CB 4.32Å; R111-N114 WeakPolarHBondContact O-CA 3.22Å; R111-N114 WeakPolarHBondContact O-CB 3.37Å; R111-N114 PolarHBondContact O-N 3.08Å; L112-N114 PolarHBondContact O-N 3.28Å; L112-N114 VanDerWaalsContact O-N 3.13Å; N114-L116 PolarHBondContact O-N 3.07Å
115	C	90.2	Very high	93.3	Very high	15 Å²	15	43.7 Å²	43.7	10%	0.101	22%	0.224	C	C	.	.			trans	-76	114	176.2	-66.8	0	0	0	0	109.6	R111 L112 R117 R118 A318	R111-C115 PolarHBondContact O-N 2.93Å; L112-C115 VanDerWaalsContact O-CB 3.32Å; L112-C115 WeakPolarHBondContact O-CB 3.24Å; L112-C115 PolarHBondContact O-N 2.95Å; C115-R117 VanDerWaalsContact C-N 3.27Å; C115-R117 PolarHBondContact O-N 3.46Å; C115-R118 HydrophobicContact CB-CG 3.83Å; C115-A318 WeakPolarHBondContact O-CB 3.38Å
116	L	88.6	Confident	93.2	Very high	133 Å²	133	46.3 Å²	46.3	70%	0.696	24%	0.236	S	C	*	.	S	Bend	trans	-68.6	-25.3	-179.2	-61.8	177.4	0	0	0	113.8	N114	N114-L116 PolarHBondContact O-N 3.07Å
117	R	91.4	Very high	93	Very high	69 Å²	69	47.1 Å²	47.1	26%	0.26	25%	0.246	S	C	.	.	S	Bend	trans	-146.9	102.1	-172.6	-75.1	-175.7	-60.8	178.7	1.7	106.8	C115 R347 Y387	C115-R117 VanDerWaalsContact C-N 3.27Å; C115-R117 PolarHBondContact O-N 3.46Å; R117-R347 PolarHBondContact NH1-O 2.98Å; R117-Y387 HydrophobicContact CB-CD2 4.29Å; R117-Y387 HydrophobicContact CB-CE2 3.44Å; R117-Y387 VanDerWaalsContact CB-CE2 3.44Å; R117-Y387 HydrophobicContact CG-CE2 4.35Å; R117-Y387 PolarHBondContact NE-OH 3.34Å; R117-Y387 PolarHBondContact NH2-OH 3.24Å; R117-Y387 WeakPolarHBondContact O-CD2 3.3Å
118	R	96.7	Very high	93	Very high	16 Å²	16	43.4 Å²	43.4	6%	0.06	23%	0.225	C	C	.	.			trans	-94	160.2	-175.4	-58.6	166.9	-174.7	157.7	11.6	110.9	L112 C115 D153 D319 Y321 R347 S352 A353	L112-R118 HydrophobicContact CD1-CG 3.95Å; L112-R118 PolarHBondContact O-NE 3.43Å; C115-R118 HydrophobicContact CB-CG 3.83Å; R118-D153 WeakPolarHBondContact CA-OD2 3.44Å; R118-D153 HydrophobicContact CB-CB 4.29Å; R118-D319 IonicContact CZ-OD1 2.85Å; R118-D319 IonicContact NH1-OD1 3.72Å; R118-D319 PolarHBondContact NH1-OD1 3.18Å; R118-D319 IonicContact NH2-OD1 2.69Å; R118-D319 PolarHBondContact NH2-OD1 3.03Å; R118-Y321 HydrophobicContact CB-CE1 3.83Å; R118-Y321 VanDerWaalsContact CD-OH 3.27Å; R118-Y321 WeakPolarHBondContact CD-OH 3.42Å; R118-Y321 PolarHBondContact NH1-OH 3.42Å; R118-R347 PolarHBondContact O-NH1 3.46Å; R118-R347 PolarHBondContact O-NH2 3.38Å; R118-S352 WeakPolarHBondContact CB-OG 3.32Å; R118-S352 PolarHBondContact N-OG 3.3Å; R118-S352 CarbonylContact O-C 3.56Å; R118-S352 VanDerWaalsContact O-CA 3.29Å; R118-S352 WeakPolarHBondContact O-CA 3.49Å; R118-S352 WeakPolarHBondContact O-CB 3.12Å; R118-A353 PolarHBondContact O-N 3.37Å
119	T	98.2	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.3	172.8	-52.8	0	0	0	0	108.7	Y151 I152 D153 I154 R347 A353 I355 L386	T119-Y151 WeakPolarHBondContact CB-O 3.39Å; T119-Y151 PolarHBondContact OG1-O 3.1Å; T119-I152 HydrophobicContact CG2-CB 4.47Å; T119-I152 HydrophobicContact CG2-CG2 4.11Å; T119-D153 PolarHBondContact N-OD2 3.43Å; T119-D153 PolarHBondContact O-N 3.45Å; T119-I154 PolarHBondContact O-N 3.11Å; T119-R347 PolarHBondContact OG1-NH2 2.94Å; T119-A353 WeakPolarHBondContact CA-O 3.12Å; T119-I355 HydrophobicContact CG2-CD1 3.98Å; T119-L386 HydrophobicContact CG2-CD2 3.74Å; T119-L386 WeakPolarHBondContact OG1-CD2 3.28Å
120	L	98.7	Very high	93.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.1	167.9	179.3	150.4	0	0	0	109	I154 L182 L262 F294 Y321 A353 A354 I355	L120-I154 CarbonylContact C-O 3.6Å; L120-I154 WeakPolarHBondContact CA-O 3.22Å; L120-I154 HydrophobicContact CB-CB 4.19Å; L120-I154 HydrophobicContact CD1-CB 4.14Å; L120-I154 HydrophobicContact CD1-CD1 4.36Å; L120-I154 HydrophobicContact CD1-CG2 3.79Å; L120-I154 HydrophobicContact CG-CB 4.09Å; L120-I154 HydrophobicContact CG-CG2 4.07Å; L120-L182 HydrophobicContact CD1-CD1 4.5Å; L120-L262 HydrophobicContact CD1-CD1 3.23Å; L120-F294 HydrophobicContact CD2-CD1 4.47Å; L120-F294 HydrophobicContact CD2-CE1 4.12Å; L120-Y321 HydrophobicContact CB-CD1 3.82Å; L120-Y321 HydrophobicContact CB-CE1 4.13Å; L120-A353 PolarHBondContact N-O 3.17Å; L120-A354 HydrophobicContact CB-CB 4.24Å; L120-A354 HydrophobicContact CD2-CB 3.81Å; L120-A354 CarbonylContact O-C 3.49Å; L120-A354 WeakPolarHBondContact O-CA 3.21Å; L120-I355 PolarHBondContact O-N 3.22Å
121	V	98.8	Very high	94	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122	166.3	170.4	0	0	0	0	108.6	I152 I154 F155 N156 I355 P358 W379	V121-I152 HydrophobicContact CB-CD1 4.17Å; V121-I152 HydrophobicContact CG2-CB 4.19Å; V121-I152 HydrophobicContact CG2-CD1 4.13Å; V121-I152 HydrophobicContact CG2-CG2 3.54Å; V121-I154 PolarHBondContact N-O 3.47Å; V121-F155 HydrophobicContact CB-CD2 4.36Å; V121-F155 HydrophobicContact CG1-CD2 4.15Å; V121-F155 HydrophobicContact CG1-CE2 4.31Å; V121-F155 CarbonylContact O-C 3.56Å; V121-F155 WeakPolarHBondContact O-CA 3.19Å; V121-N156 PolarHBondContact O-N 2.78Å; V121-I355 WeakPolarHBondContact CA-O 3.47Å; V121-I355 HydrophobicContact CG2-CB 4.39Å; V121-P358 HydrophobicContact CG1-CG 3.77Å; V121-W379 HydrophobicContact CG2-CH2 3.67Å; V121-W379 HydrophobicContact CG2-CZ2 4.44Å
122	S	98.3	Very high	94.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	101.8	169.5	-175	0	0	0	0	107.6	D124 N156 F158 I355 A357 P358	S122-D124 PolarHBondContact O-N 3.09Å; S122-N156 PolarHBondContact OG-ND2 2.83Å; S122-F158 WeakPolarHBondContact OG-CB 3.23Å; S122-I355 PolarHBondContact N-O 3.32Å; S122-A357 PolarHBondContact O-N 3.05Å; S122-P358 WeakPolarHBondContact O-CD 3.45Å
123	H	93.7	Very high	94.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	21%	0.212	C	C	.	.			trans	-66.4	-37.3	-155.7	79.7	-61.4	0	0	0	114.5	M125 F155 N156 Y157 F158 A357 P358 G359	H123-M125 WeakPolarHBondContact CD2-CB 3.4Å; H123-F155 HydrophobicContact CB-CE2 3.73Å; H123-F155 HydrophobicContact CB-CZ 3.74Å; H123-F155 AromaticContact CG-CZ 3.89Å; H123-N156 PolarHBondContact N-O 2.77Å; H123-N156 VanDerWaalsContact N-O 3.16Å; H123-N156 PolarHBondContact ND1-O 3.27Å; H123-Y157 AromaticContact CE1-CD2 3.3Å; H123-Y157 WeakPolarHBondContact CE1-CD2 3.49Å; H123-Y157 AromaticContact CE1-CE2 3.54Å; H123-Y157 AromaticContact CE1-CG 3.66Å; H123-Y157 WeakPolarHBondContact ND1-CA 3.4Å; H123-Y157 AromaticContact ND1-CD2 3.92Å; H123-Y157 AromaticContact NE2-CD2 3.65Å; H123-Y157 AromaticContact NE2-CE2 3.43Å; H123-Y157 WeakPolarHBondContact NE2-CE2 3.48Å; H123-F158 PolarHBondContact CE1-N 3.04Å; H123-F158 PolarHBondContact CE1-O 3.43Å; H123-F158 VanDerWaalsContact CE1-O 3.22Å; H123-F158 PolarHBondContact ND1-N 3.3Å; H123-F158 VanDerWaalsContact ND1-N 3.14Å; H123-A357 WeakPolarHBondContact O-CA 3.48Å; H123-P358 WeakPolarHBondContact O-CD 3.33Å; H123-G359 PolarHBondContact O-N 3.4Å; H123-G359 VanDerWaalsContact O-N 3.14Å
124	D	95.3	Very high	94.8	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	19%	0.186	C	C	.	.			trans	33.4	87.4	-177.2	-177.9	29.3	0	0	0	112.9	S122 F158 F356 A357	S122-D124 PolarHBondContact O-N 3.09Å; D124-F158 HydrophobicContact CB-CB 4.49Å; D124-F158 HydrophobicContact CB-CD1 3.79Å; D124-F158 HydrophobicContact CB-CG 4.47Å; D124-F356 HydrophobicContact CB-CE2 4.1Å; D124-F356 HydrophobicContact CB-CZ 4.09Å; D124-A357 HydrophobicContact CB-CB 3.77Å
125	M	95.5	Very high	95	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.02	17%	0.168	C	C	.	.			trans	-128	100.1	-168.7	177.5	56.5	-152.6	0	0	110.8	H123 G127 G128 L130 Y144 Y362 E363	H123-M125 WeakPolarHBondContact CD2-CB 3.4Å; M125-G127 PolarHBondContact O-N 3.32Å; M125-G128 PolarHBondContact O-N 2.66Å; M125-L130 HydrophobicContact CE-CD1 3.98Å; M125-L130 HydrophobicContact CG-CD1 4.28Å; M125-Y144 HydrophobicContact CE-CD2 4.05Å; M125-Y144 HydrophobicContact CE-CG 4.22Å; M125-Y144 HydrophobicContact CG-CD1 4.01Å; M125-Y144 HydrophobicContact CG-CD2 4.04Å; M125-Y144 HydrophobicContact CG-CE1 4.34Å; M125-Y144 HydrophobicContact CG-CE2 4.36Å; M125-Y144 HydrophobicContact CG-CG 3.85Å; M125-Y144 HydrophobicContact SD-CD2 3.53Å; M125-Y144 VanDerWaalsContact SD-CD2 3.53Å; M125-Y144 HydrophobicContact SD-CE2 3.83Å; M125-Y144 HydrophobicContact SD-CG 3.93Å; M125-Y362 HydrophobicContact CE-CD1 3.2Å; M125-Y362 HydrophobicContact CE-CD2 4.47Å; M125-Y362 HydrophobicContact CE-CE1 3.63Å; M125-Y362 HydrophobicContact CE-CG 3.68Å; M125-Y362 HydrophobicContact SD-CD1 4.3Å; M125-Y362 HydrophobicContact SD-CG 4.35Å; M125-E363 HydrophobicContact CE-CG 4.42Å; M125-E363 HydrophobicContact SD-CG 4.29Å
126	M	94.1	Very high	95.2	Very high	102 Å²	102	33 Å²	33	50%	0.502	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	43	40.3	176.6	-59	-178.3	62.2	0	0	115.2	G128 L130 Y362 E363	M126-G128 VanDerWaalsContact C-N 3.3Å; M126-G128 PolarHBondContact O-N 3.3Å; M126-L130 HydrophobicContact CB-CD1 4.14Å; M126-Y362 HydrophobicContact SD-CD1 4.36Å; M126-Y362 HydrophobicContact SD-CE1 4.24Å; M126-E363 HydrophobicContact CG-CG 3.46Å; M126-E363 VanDerWaalsContact CG-CG 3.46Å; M126-E363 WeakPolarHBondContact CG-OE1 3.26Å; M126-E363 PolarHBondContact N-OE1 3.32Å; M126-E363 HydrophobicContact SD-CG 4.09Å
127	G	90.5	Very high	95.5	Very high	40 Å²	40	27.3 Å²	27.3	41%	0.412	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-1.1	-179.9	0	0	0	0	0	115.8	M125 T159	M125-G127 PolarHBondContact O-N 3.32Å; G127-T159 WeakPolarHBondContact O-CB 3.33Å; G127-T159 WeakPolarHBondContact O-CG2 3.4Å
128	G	94.8	Very high	95.7	Very high	11 Å²	11	25.1 Å²	25.1	11%	0.113	14%	0.137	C	C	.	.	S	Bend	trans	70.3	-179.4	179.5	0	0	0	0	0	114.4	M125 M126 L130	M125-G128 PolarHBondContact O-N 2.66Å; M126-G128 VanDerWaalsContact C-N 3.3Å; M126-G128 PolarHBondContact O-N 3.3Å; G128-L130 PolarHBondContact O-N 3.32Å
129	Y	96.2	Very high	95.6	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.047	17%	0.17	C	C	.	.			trans	48.9	52.7	-179.3	-55.3	-78.9	0	0	0	113	S78 G80 R133 Y157 T159 T164 V165 P167	S78-Y129 WeakPolarHBondContact O-CD1 3.46Å; G80-Y129 VanDerWaalsContact N-CZ 3.34Å; G80-Y129 PolarHBondContact N-OH 2.96Å; Y129-R133 HydrophobicContact CD1-CB 4.41Å; Y129-R133 WeakPolarHBondContact O-CD 3.48Å; Y129-R133 PolarHBondContact O-NH1 2.98Å; Y129-Y157 WeakPolarHBondContact CA-OH 3.21Å; Y129-Y157 HydrophobicContact CD1-CE1 4.33Å; Y129-Y157 HydrophobicContact CD2-CE1 4.33Å; Y129-Y157 AromaticContact CE1-CE1 3.97Å; Y129-Y157 HydrophobicContact CE1-CE1 3.97Å; Y129-Y157 AromaticContact CE2-CE1 4Å; Y129-Y157 HydrophobicContact CE2-CE1 4Å; Y129-Y157 HydrophobicContact CG-CE1 4.5Å; Y129-Y157 AromaticContact CZ-CE1 3.8Å; Y129-Y157 PolarHBondContact N-OH 3.21Å; Y129-T159 HydrophobicContact CD2-CG2 4.02Å; Y129-T159 HydrophobicContact CE2-CG2 3.76Å; Y129-T164 HydrophobicContact CE2-CG2 4.45Å; Y129-V165 WeakPolarHBondContact CE1-O 3.33Å; Y129-V165 PolarHBondContact OH-N 3.42Å; Y129-V165 PolarHBondContact OH-O 3.17Å; Y129-P167 HydrophobicContact CD1-CG 3.94Å; Y129-P167 HydrophobicContact CE1-CG 3.91Å
130	L	95	Very high	95.3	Very high	62 Å²	62	30.2 Å²	30.2	33%	0.325	18%	0.176	S	C	.	.	S	Bend	trans	-88.1	-128.5	175.7	-55.8	177.7	0	0	0	109.2	M125 M126 G128 D132 R133	M125-L130 HydrophobicContact CE-CD1 3.98Å; M125-L130 HydrophobicContact CG-CD1 4.28Å; M126-L130 HydrophobicContact CB-CD1 4.14Å; G128-L130 PolarHBondContact O-N 3.32Å; L130-D132 WeakPolarHBondContact CA-OD1 3.41Å; L130-D132 PolarHBondContact N-OD1 3.3Å; L130-D132 PolarHBondContact O-N 3.18Å; L130-R133 VanDerWaalsContact O-CG 3.23Å; L130-R133 WeakPolarHBondContact O-CG 3.48Å; L130-R133 PolarHBondContact O-N 3.15Å
131	D	95.8	Very high	94.9	Very high	49 Å²	49	38.1 Å²	38.1	26%	0.262	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-56.5	-31.7	172.3	-79.8	-44.9	0	0	0	112.5	R133 F134 T138 S140 F422	D131-R133 PolarHBondContact O-N 2.85Å; D131-F134 PolarHBondContact O-N 2.83Å; D131-T138 HydrophobicContact CB-CG2 4.27Å; D131-T138 PolarHBondContact OD1-OG1 3.49Å; D131-S140 VanDerWaalsContact OD2-CB 3.23Å; D131-S140 WeakPolarHBondContact OD2-CB 3.24Å; D131-S140 PolarHBondContact OD2-OG 2.91Å; D131-F422 HydrophobicContact CB-CD1 3.74Å; D131-F422 HydrophobicContact CB-CE1 3.9Å
132	D	95.8	Very high	94.6	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-70.1	-12.5	-178.5	64.5	-41.6	0	0	0	114.6	L130 F134 Y157 P167 V169 W170 F422	L130-D132 WeakPolarHBondContact CA-OD1 3.41Å; L130-D132 PolarHBondContact N-OD1 3.3Å; L130-D132 PolarHBondContact O-N 3.18Å; D132-F134 VanDerWaalsContact C-N 3.28Å; D132-Y157 WeakPolarHBondContact OD2-CE2 3.44Å; D132-Y157 VanDerWaalsContact OD2-CZ 3.24Å; D132-Y157 PolarHBondContact OD2-OH 3.19Å; D132-P167 WeakPolarHBondContact O-CB 3.47Å; D132-V169 HydrophobicContact CB-CG2 4.19Å; D132-V169 WeakPolarHBondContact O-CG2 3.4Å; D132-W170 PolarHBondContact OD2-NE1 3.26Å; D132-F422 HydrophobicContact CB-CE1 4.11Å; D132-F422 HydrophobicContact CB-CZ 4.26Å
133	R	96.1	Very high	94.5	Very high	91 Å²	91	39.3 Å²	39.3	34%	0.343	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-69.3	-29.1	171.3	83.5	-175.4	166.9	-142.9	8.6	112.3	I77 S78 Y129 L130 D131 V135	I77-R133 CarbonylContact C-O 3.49Å; I77-R133 VanDerWaalsContact CA-O 3.28Å; I77-R133 WeakPolarHBondContact CA-O 3.44Å; I77-R133 HydrophobicContact CB-CG 4.35Å; I77-R133 HydrophobicContact CG2-CG 4.17Å; S78-R133 PolarHBondContact N-O 3.26Å; Y129-R133 HydrophobicContact CD1-CB 4.41Å; Y129-R133 WeakPolarHBondContact O-CD 3.48Å; Y129-R133 PolarHBondContact O-NH1 2.98Å; L130-R133 VanDerWaalsContact O-CG 3.23Å; L130-R133 WeakPolarHBondContact O-CG 3.48Å; L130-R133 PolarHBondContact O-N 3.15Å; D131-R133 PolarHBondContact O-N 2.85Å; R133-V135 PolarHBondContact O-N 2.78Å
134	F	96.6	Very high	94.5	Very high	27 Å²	27	40.3 Å²	40.3	12%	0.118	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-82.6	95.8	-179.4	-62.8	-81.2	0	0	0	108.8	D70 E75 I77 D131 D132 Q136 G137 T138	D70-F134 HydrophobicContact CB-CE1 4.35Å; E75-F134 HydrophobicContact CB-CD1 4.18Å; E75-F134 HydrophobicContact CB-CE1 4.41Å; E75-F134 VanDerWaalsContact CD-CD1 3.49Å; E75-F134 HydrophobicContact CG-CD1 3.9Å; E75-F134 VanDerWaalsContact OE2-CD1 3.31Å; E75-F134 WeakPolarHBondContact OE2-CD1 3.27Å; I77-F134 HydrophobicContact CG2-CD1 3.71Å; I77-F134 HydrophobicContact CG2-CE1 3.7Å; I77-F134 HydrophobicContact CG2-CZ 4.5Å; D131-F134 PolarHBondContact O-N 2.83Å; D132-F134 VanDerWaalsContact C-N 3.28Å; F134-Q136 PolarHBondContact O-N 3.04Å; F134-G137 PolarHBondContact O-N 2.84Å; F134-T138 HydrophobicContact CB-CG2 3.54Å; F134-T138 HydrophobicContact CD2-CG2 3.4Å; F134-T138 VanDerWaalsContact CD2-CG2 3.4Å; F134-T138 HydrophobicContact CE2-CG2 4.29Å; F134-T138 HydrophobicContact CG-CG2 3.71Å
135	V	94.4	Very high	94.5	Very high	15 Å²	15	39.7 Å²	39.7	9%	0.091	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11	-167.9	-63.2	0	0	0	0	114.7	P76 S78 F98 N99 R133 A168 V169	P76-V135 HydrophobicContact CB-CG2 4.08Å; P76-V135 HydrophobicContact CG-CG2 3.93Å; S78-V135 WeakPolarHBondContact OG-CG1 3.46Å; F98-V135 HydrophobicContact CB-CG2 3.93Å; N99-V135 VanDerWaalsContact OD1-CG1 3.25Å; N99-V135 WeakPolarHBondContact OD1-CG1 3.43Å; R133-V135 PolarHBondContact O-N 2.78Å; V135-A168 HydrophobicContact CG1-CB 4.47Å; V135-V169 HydrophobicContact CB-CG1 4.39Å; V135-V169 WeakPolarHBondContact O-CG1 3.43Å
136	Q	95.1	Very high	94.6	Very high	30 Å²	30	39.6 Å²	39.6	14%	0.14	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-2.3	175	-53	-169.3	130.5	0	0	113	P76 F134 N423 F682 R683	P76-Q136 HydrophobicContact CG-CG 3.92Å; F134-Q136 PolarHBondContact O-N 3.04Å; Q136-N423 VanDerWaalsContact C-ND2 3.27Å; Q136-N423 PolarHBondContact O-ND2 3.41Å; Q136-F682 HydrophobicContact CB-CE2 4.45Å; Q136-R683 PolarHBondContact NE2-O 3.48Å
137	G	94.9	Very high	94.7	Very high	13 Å²	13	34.7 Å²	34.7	13%	0.134	20%	0.198	C	C	.	.			trans	97.3	165.2	179.1	0	0	0	0	0	114.4	F134 F422	F134-G137 PolarHBondContact O-N 2.84Å; G137-F422 CarbonylContact C-O 3.39Å; G137-F422 WeakPolarHBondContact CA-O 3.34Å
138	T	95.4	Very high	95.1	Very high	24 Å²	24	33 Å²	33	15%	0.147	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-128.3	168	-179.7	67.9	0	0	0	0	111.7	D131 F134 S140 W421 F422	D131-T138 HydrophobicContact CB-CG2 4.27Å; D131-T138 PolarHBondContact OD1-OG1 3.49Å; F134-T138 HydrophobicContact CB-CG2 3.54Å; F134-T138 HydrophobicContact CD2-CG2 3.4Å; F134-T138 VanDerWaalsContact CD2-CG2 3.4Å; F134-T138 HydrophobicContact CE2-CG2 4.29Å; F134-T138 HydrophobicContact CG-CG2 3.71Å; T138-S140 PolarHBondContact O-N 3.33Å; T138-W421 CarbonylContact O-C 3.59Å; T138-W421 VanDerWaalsContact O-CA 3.31Å; T138-W421 WeakPolarHBondContact O-CA 3.33Å; T138-F422 PolarHBondContact N-O 2.82Å; T138-F422 PolarHBondContact O-N 2.79Å
139	S	94.3	Very high	95.2	Very high	107 Å²	107	32.4 Å²	32.4	75%	0.748	17%	0.174	S	C	*	.			trans	-89.7	90.2	164.9	-61.3	0	0	0	0	109.4	S420	S139-S420 WeakPolarHBondContact CA-O 3.47Å
140	S	92.5	Very high	95	Very high	16 Å²	16	32.5 Å²	32.5	11%	0.112	17%	0.174	C	C	.	.			trans	-122.3	130.1	-176.6	-173.3	0	0	0	0	111.2	D131 T138 S420	D131-S140 VanDerWaalsContact OD2-CB 3.23Å; D131-S140 WeakPolarHBondContact OD2-CB 3.24Å; D131-S140 PolarHBondContact OD2-OG 2.91Å; T138-S140 PolarHBondContact O-N 3.33Å; S140-S420 WeakPolarHBondContact O-CB 3.27Å
141	E	90.5	Very high	95	Very high	168 Å²	168	30.2 Å²	30.2	79%	0.785	16%	0.161	S	C	*	.	S	Bend	trans	-78.3	-35.7	-178.3	-65.8	-168.7	158.5	0	0	113.3
142	A	92.5	Very high	95	Very high	23 Å²	23	27.9 Å²	27.9	19%	0.19	15%	0.149	C	C	.	.	S	Bend	trans	-142.3	63.5	-176.7	0	0	0	0	0	110.7	Y362 K368	A142-Y362 WeakPolarHBondContact O-CE2 3.32Å; A142-Y362 PolarHBondContact O-OH 3.31Å; A142-K368 HydrophobicContact CB-CB 3.69Å
143	P	94.8	Very high	95.1	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.026	15%	0.147	C	C	.	.			trans	-68.8	155.9	-179.8	31.7	-38.2	0	0	0	111.5	A145 F405 F422	P143-A145 PolarHBondContact O-N 2.72Å; P143-F405 HydrophobicContact CG-CB 3.86Å; P143-F405 HydrophobicContact CG-CD2 4.05Å; P143-F405 HydrophobicContact CG-CG 4.05Å; P143-F422 HydrophobicContact CB-CB 3.91Å; P143-F422 HydrophobicContact CB-CD1 4.44Å; P143-F422 HydrophobicContact CB-CD2 3.39Å; P143-F422 HydrophobicContact CB-CE2 3.97Å; P143-F422 HydrophobicContact CB-CG 3.66Å; P143-F422 HydrophobicContact CG-CB 3.92Å; P143-F422 HydrophobicContact CG-CD2 3.58Å; P143-F422 HydrophobicContact CG-CE2 4.43Å; P143-F422 HydrophobicContact CG-CG 4.02Å
144	Y	95.4	Very high	95.2	Very high	23 Å²	23	23.1 Å²	23.1	9%	0.09	13%	0.131	C	C	.	.			trans	-77.2	106.9	164.2	-175.8	-90.1	0	0	0	109.5	M125 W170 Y362 F371	M125-Y144 HydrophobicContact CE-CD2 4.05Å; M125-Y144 HydrophobicContact CE-CG 4.22Å; M125-Y144 HydrophobicContact CG-CD1 4.01Å; M125-Y144 HydrophobicContact CG-CD2 4.04Å; M125-Y144 HydrophobicContact CG-CE1 4.34Å; M125-Y144 HydrophobicContact CG-CE2 4.36Å; M125-Y144 HydrophobicContact CG-CG 3.85Å; M125-Y144 HydrophobicContact SD-CD2 3.53Å; M125-Y144 VanDerWaalsContact SD-CD2 3.53Å; M125-Y144 HydrophobicContact SD-CE2 3.83Å; M125-Y144 HydrophobicContact SD-CG 3.93Å; Y144-W170 AromaticContact CD1-CH2 3.96Å; Y144-W170 HydrophobicContact CD1-CH2 3.96Å; Y144-W170 AromaticContact CD1-CZ2 3.98Å; Y144-W170 HydrophobicContact CD1-CZ2 3.98Å; Y144-W170 AromaticContact CE1-CH2 3.97Å; Y144-W170 HydrophobicContact CE1-CH2 3.97Å; Y144-W170 HydrophobicContact CE1-CZ2 4.27Å; Y144-Y362 AromaticContact CD2-CD2 3.87Å; Y144-Y362 HydrophobicContact CD2-CD2 3.87Å; Y144-Y362 AromaticContact CD2-CG 3.91Å; Y144-Y362 HydrophobicContact CD2-CG 3.91Å; Y144-F371 AromaticContact CD2-CE1 3.99Å; Y144-F371 HydrophobicContact CD2-CE1 3.99Å; Y144-F371 AromaticContact CD2-CE2 3.85Å; Y144-F371 HydrophobicContact CD2-CE2 3.85Å; Y144-F371 AromaticContact CD2-CZ 3.43Å; Y144-F371 HydrophobicContact CD2-CZ 3.43Å; Y144-F371 VanDerWaalsContact CD2-CZ 3.43Å; Y144-F371 HydrophobicContact CE2-CE1 4.44Å; Y144-F371 AromaticContact CE2-CE2 3.78Å; Y144-F371 HydrophobicContact CE2-CE2 3.78Å; Y144-F371 AromaticContact CE2-CZ 3.48Å; Y144-F371 HydrophobicContact CE2-CZ 3.48Å; Y144-F371 VanDerWaalsContact CE2-CZ 3.48Å; Y144-F371 HydrophobicContact CG-CE1 4.44Å; Y144-F371 HydrophobicContact CG-CZ 4.22Å
145	A	95.3	Very high	95.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.			trans	-126.6	129.6	176.9	0	0	0	0	0	110.4	P143 F371 Q375 F405 F422 L424	P143-A145 PolarHBondContact O-N 2.72Å; A145-F371 WeakPolarHBondContact O-CE1 3.24Å; A145-Q375 PolarHBondContact O-NE2 3.18Å; A145-Q375 PolarHBondContact O-OE1 3.21Å; A145-F405 HydrophobicContact CB-CD1 3.39Å; A145-F405 HydrophobicContact CB-CE1 3.44Å; A145-F405 VanDerWaalsContact CB-CE1 3.44Å; A145-F405 HydrophobicContact CB-CG 4.24Å; A145-F405 HydrophobicContact CB-CZ 4.31Å; A145-F422 HydrophobicContact CB-CE2 4.04Å; A145-L424 HydrophobicContact CB-CD2 4.05Å
146	F	97.3	Very high	95.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	12%	0.121	C	C	.	.			trans	-102.7	137.2	175.1	175.4	-103.3	0	0	0	110.8	H148 W149 I152 W170 W379 Q427	F146-H148 HydrophobicContact CE2-CB 3.73Å; F146-H148 VanDerWaalsContact CZ-C 3.43Å; F146-H148 HydrophobicContact CZ-CB 3.88Å; F146-H148 WeakPolarHBondContact CZ-O 3.33Å; F146-W149 AromaticContact CD1-CD2 3.68Å; F146-W149 HydrophobicContact CD1-CD2 3.68Å; F146-W149 AromaticContact CD1-CE2 3.56Å; F146-W149 AromaticContact CD1-CE3 3.81Å; F146-W149 HydrophobicContact CD1-CE3 3.81Å; F146-W149 HydrophobicContact CD1-CG 4.37Å; F146-W149 AromaticContact CD1-CH2 3.75Å; F146-W149 HydrophobicContact CD1-CH2 3.75Å; F146-W149 AromaticContact CD1-CZ2 3.63Å; F146-W149 HydrophobicContact CD1-CZ2 3.63Å; F146-W149 AromaticContact CD1-CZ3 3.84Å; F146-W149 HydrophobicContact CD1-CZ3 3.84Å; F146-W149 AromaticContact CE1-CD2 3.57Å; F146-W149 HydrophobicContact CE1-CD2 3.57Å; F146-W149 AromaticContact CE1-CE2 3.98Å; F146-W149 AromaticContact CE1-CE3 3.53Å; F146-W149 HydrophobicContact CE1-CE3 3.53Å; F146-W149 HydrophobicContact CE1-CG 4.06Å; F146-W149 HydrophobicContact CE1-CH2 4.3Å; F146-W149 HydrophobicContact CE1-CZ2 4.35Å; F146-W149 AromaticContact CE1-CZ3 3.9Å; F146-W149 HydrophobicContact CE1-CZ3 3.9Å; F146-W149 PolarHBondContact O-NE1 3.18Å; F146-I152 HydrophobicContact CE1-CD1 3.58Å; F146-I152 HydrophobicContact CE1-CG1 4.16Å; F146-I152 HydrophobicContact CZ-CD1 3.95Å; F146-I152 HydrophobicContact CZ-CG1 4.32Å; F146-I152 HydrophobicContact CZ-CG2 4.14Å; F146-W170 HydrophobicContact CB-CH2 4.03Å; F146-W170 HydrophobicContact CB-CZ3 3.84Å; F146-W379 HydrophobicContact CD2-CZ2 4.12Å; F146-W379 AromaticContact CD2-NE1 4Å; F146-W379 HydrophobicContact CE2-CD2 4.26Å; F146-W379 AromaticContact CE2-CE2 3.45Å; F146-W379 VanDerWaalsContact CE2-CE2 3.45Å; F146-W379 HydrophobicContact CE2-CH2 4.01Å; F146-W379 AromaticContact CE2-CZ2 3.32Å; F146-W379 HydrophobicContact CE2-CZ2 3.32Å; F146-W379 AromaticContact CE2-NE1 3.63Å; F146-W379 HydrophobicContact CZ-CH2 4.33Å; F146-W379 HydrophobicContact CZ-CZ2 4.07Å; F146-Q427 PolarHBondContact O-NE2 2.95Å
147	Y	96.6	Very high	95.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.			trans	-143.4	10.3	-176	52.9	-103.5	0	0	0	114.3	W149 R372 Q375 D376 Q403 F405 Q430 Y433	Y147-W149 VanDerWaalsContact C-N 3.28Å; Y147-W149 PolarHBondContact O-N 3.05Å; Y147-R372 WeakPolarHBondContact OH-CG 3.21Å; Y147-R372 PolarHBondContact OH-O 2.88Å; Y147-Q375 VanDerWaalsContact CE1-NE2 3.33Å; Y147-D376 VanDerWaalsContact CE2-OD1 3.24Å; Y147-D376 WeakPolarHBondContact CE2-OD1 3.33Å; Y147-D376 PolarHBondContact OH-OD1 3Å; Y147-Q403 HydrophobicContact CD1-CG 4.24Å; Y147-Q403 HydrophobicContact CG-CG 4.21Å; Y147-F405 HydrophobicContact CD1-CE1 4.21Å; Y147-F405 HydrophobicContact CE1-CE1 4.3Å; Y147-F405 HydrophobicContact CE1-CZ 4.32Å; Y147-Q430 WeakPolarHBondContact O-CB 3.08Å; Y147-Y433 HydrophobicContact CD2-CD2 4.18Å; Y147-Y433 AromaticContact CD2-CE2 3.51Å; Y147-Y433 HydrophobicContact CD2-CE2 3.51Å; Y147-Y433 AromaticContact CD2-CZ 3.86Å; Y147-Y433 HydrophobicContact CE2-CD2 4.38Å; Y147-Y433 HydrophobicContact CE2-CE2 4Å
148	H	96.9	Very high	95.9	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.014	11%	0.109	C	C	.	.			trans	-95.4	40.4	175.3	-62.3	-85.9	0	0	0	112.4	F146 Q150 Y151 D376 W379 Y433	F146-H148 HydrophobicContact CE2-CB 3.73Å; F146-H148 VanDerWaalsContact CZ-C 3.43Å; F146-H148 HydrophobicContact CZ-CB 3.88Å; F146-H148 WeakPolarHBondContact CZ-O 3.33Å; H148-Q150 VanDerWaalsContact CA-OE1 3.28Å; H148-Q150 PolarHBondContact O-N 3.33Å; H148-Q150 VanDerWaalsContact O-N 3.16Å; H148-Y151 HydrophobicContact CB-CD2 3.96Å; H148-Y151 HydrophobicContact CB-CE2 4.45Å; H148-Y151 PolarHBondContact O-N 3.09Å; H148-D376 IonicContact CE1-OD1 2.7Å; H148-D376 IonicContact NE2-OD1 3.33Å; H148-D376 PolarHBondContact NE2-OD1 2.8Å; H148-W379 HydrophobicContact CB-CB 4.3Å; H148-W379 HydrophobicContact CB-CD2 4.01Å; H148-W379 HydrophobicContact CB-CE3 4.46Å; H148-W379 HydrophobicContact CB-CG 3.89Å; H148-W379 AromaticContact CD2-CD1 3.07Å; H148-W379 AromaticContact CD2-CG 3.49Å; H148-W379 VanDerWaalsContact CD2-CG 3.49Å; H148-W379 AromaticContact CD2-NE1 3.74Å; H148-W379 AromaticContact CG-CD1 3.65Å; H148-W379 AromaticContact CG-CG 3.58Å; H148-W379 AromaticContact NE2-CD1 3.56Å; H148-W379 AromaticContact NE2-CG 3.97Å; H148-Y433 AromaticContact CE1-CD2 3.72Å; H148-Y433 AromaticContact ND1-CD2 3.67Å
149	W	97.1	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-56.1	-35.3	-173.8	-62.6	104.9	0	0	0	112.7	F146 Y147 Y151 I152 F155 W170 A173 A174 H177 V179 H389	F146-W149 AromaticContact CD1-CD2 3.68Å; F146-W149 HydrophobicContact CD1-CD2 3.68Å; F146-W149 AromaticContact CD1-CE2 3.56Å; F146-W149 AromaticContact CD1-CE3 3.81Å; F146-W149 HydrophobicContact CD1-CE3 3.81Å; F146-W149 HydrophobicContact CD1-CG 4.37Å; F146-W149 AromaticContact CD1-CH2 3.75Å; F146-W149 HydrophobicContact CD1-CH2 3.75Å; F146-W149 AromaticContact CD1-CZ2 3.63Å; F146-W149 HydrophobicContact CD1-CZ2 3.63Å; F146-W149 AromaticContact CD1-CZ3 3.84Å; F146-W149 HydrophobicContact CD1-CZ3 3.84Å; F146-W149 AromaticContact CE1-CD2 3.57Å; F146-W149 HydrophobicContact CE1-CD2 3.57Å; F146-W149 AromaticContact CE1-CE2 3.98Å; F146-W149 AromaticContact CE1-CE3 3.53Å; F146-W149 HydrophobicContact CE1-CE3 3.53Å; F146-W149 HydrophobicContact CE1-CG 4.06Å; F146-W149 HydrophobicContact CE1-CH2 4.3Å; F146-W149 HydrophobicContact CE1-CZ2 4.35Å; F146-W149 AromaticContact CE1-CZ3 3.9Å; F146-W149 HydrophobicContact CE1-CZ3 3.9Å; F146-W149 PolarHBondContact O-NE1 3.18Å; Y147-W149 VanDerWaalsContact C-N 3.28Å; Y147-W149 PolarHBondContact O-N 3.05Å; W149-Y151 PolarHBondContact O-N 3.11Å; W149-I152 HydrophobicContact CE3-CD1 3.82Å; W149-I152 HydrophobicContact CE3-CG1 4.23Å; W149-I152 HydrophobicContact CZ3-CD1 3.96Å; W149-I152 PolarHBondContact O-N 3.3Å; W149-F155 HydrophobicContact CH2-CD2 4.2Å; W149-F155 HydrophobicContact CH2-CE2 4.5Å; W149-F155 HydrophobicContact CH2-CG 4.2Å; W149-F155 HydrophobicContact CZ3-CB 3.93Å; W149-F155 HydrophobicContact CZ3-CD2 4.01Å; W149-F155 AromaticContact CZ3-CG 3.94Å; W149-F155 HydrophobicContact CZ3-CG 3.94Å; W149-W170 AromaticContact CH2-CE3 3.9Å; W149-W170 HydrophobicContact CH2-CE3 3.9Å; W149-W170 HydrophobicContact CH2-CZ3 4.11Å; W149-W170 HydrophobicContact CZ2-CE3 4.06Å; W149-W170 HydrophobicContact CZ2-CZ3 4.03Å; W149-A173 HydrophobicContact CZ2-CB 3.91Å; W149-A174 HydrophobicContact CE3-CB 4.09Å; W149-A174 HydrophobicContact CH2-CB 3.8Å; W149-A174 HydrophobicContact CZ3-CB 3.53Å; W149-H177 HydrophobicContact CB-CB 3.51Å; W149-H177 VanDerWaalsContact CB-CG 3.46Å; W149-H177 AromaticContact CD1-CD2 3.9Å; W149-H177 AromaticContact CD1-CE1 3.37Å; W149-H177 AromaticContact CD1-CG 3.7Å; W149-H177 AromaticContact CD1-ND1 3.36Å; W149-H177 AromaticContact CD1-NE2 3.72Å; W149-H177 HydrophobicContact CG-CB 3.97Å; W149-H177 AromaticContact CG-CG 3.62Å; W149-H177 AromaticContact CG-ND1 3.63Å; W149-H177 AromaticContact NE1-CE1 3.91Å; W149-H177 AromaticContact NE1-ND1 3.88Å; W149-V179 HydrophobicContact CB-CG2 4.34Å; W149-V179 HydrophobicContact CE3-CB 4.1Å; W149-V179 HydrophobicContact CE3-CG1 4.1Å; W149-V179 HydrophobicContact CE3-CG2 4.04Å; W149-V179 HydrophobicContact CZ3-CG1 4.21Å; W149-H389 PolarHBondContact O-CE1 2.77Å
150	Q	92.5	Very high	95.9	Very high	13 Å²	13	18.2 Å²	18.2	6%	0.061	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-53.7	-22.2	-178	69.3	-89.5	33.8	0	0	114.8	H148 I388 H389 P431 L432	H148-Q150 VanDerWaalsContact CA-OE1 3.28Å; H148-Q150 PolarHBondContact O-N 3.33Å; H148-Q150 VanDerWaalsContact O-N 3.16Å; Q150-I388 HydrophobicContact CB-CG2 4.48Å; Q150-I388 WeakPolarHBondContact O-CA 3.36Å; Q150-H389 PolarHBondContact O-CE1 3.19Å; Q150-H389 PolarHBondContact O-N 2.92Å; Q150-H389 PolarHBondContact O-ND1 2.82Å; Q150-H389 VanDerWaalsContact O-ND1 3.08Å; Q150-P431 PolarHBondContact NE2-O 3.24Å; Q150-L432 HydrophobicContact CB-CD2 4.34Å; Q150-L432 HydrophobicContact CG-CD2 3.91Å
151	Y	94.7	Very high	96.1	Very high	14 Å²	14	20 Å²	20	6%	0.055	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-94.2	-10.5	-176.2	-64.4	-40.4	0	0	0	114.4	T119 H148 W149 W379 L386 I388 Y433	T119-Y151 WeakPolarHBondContact CB-O 3.39Å; T119-Y151 PolarHBondContact OG1-O 3.1Å; H148-Y151 HydrophobicContact CB-CD2 3.96Å; H148-Y151 HydrophobicContact CB-CE2 4.45Å; H148-Y151 PolarHBondContact O-N 3.09Å; W149-Y151 PolarHBondContact O-N 3.11Å; Y151-W379 HydrophobicContact CD2-CE3 4.21Å; Y151-W379 HydrophobicContact CE2-CB 4.45Å; Y151-L386 HydrophobicContact CD1-CB 3.97Å; Y151-L386 HydrophobicContact CD2-CD1 4.21Å; Y151-L386 HydrophobicContact CG-CB 4.11Å; Y151-L386 HydrophobicContact CG-CD1 3.95Å; Y151-I388 HydrophobicContact CD1-CG1 4.07Å; Y151-I388 HydrophobicContact CE1-CD1 4.25Å; Y151-I388 HydrophobicContact CE1-CG1 3.77Å; Y151-Y433 PolarHBondContact OH-O 2.8Å
152	I	96.9	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.			trans	-119.7	148.7	-170.8	76.1	163.9	0	0	0	111.2	T119 V121 F146 W149 F155 V179 W379 H389	T119-I152 HydrophobicContact CG2-CB 4.47Å; T119-I152 HydrophobicContact CG2-CG2 4.11Å; V121-I152 HydrophobicContact CB-CD1 4.17Å; V121-I152 HydrophobicContact CG2-CB 4.19Å; V121-I152 HydrophobicContact CG2-CD1 4.13Å; V121-I152 HydrophobicContact CG2-CG2 3.54Å; F146-I152 HydrophobicContact CE1-CD1 3.58Å; F146-I152 HydrophobicContact CE1-CG1 4.16Å; F146-I152 HydrophobicContact CZ-CD1 3.95Å; F146-I152 HydrophobicContact CZ-CG1 4.32Å; F146-I152 HydrophobicContact CZ-CG2 4.14Å; W149-I152 HydrophobicContact CE3-CD1 3.82Å; W149-I152 HydrophobicContact CE3-CG1 4.23Å; W149-I152 HydrophobicContact CZ3-CD1 3.96Å; W149-I152 PolarHBondContact O-N 3.3Å; I152-F155 HydrophobicContact CD1-CB 4.05Å; I152-F155 HydrophobicContact CD1-CD2 4.15Å; I152-V179 HydrophobicContact CD1-CG1 3.99Å; I152-V179 HydrophobicContact CG1-CG1 3.98Å; I152-V179 HydrophobicContact CG1-CG2 4.13Å; I152-V179 WeakPolarHBondContact O-CG2 3.43Å; I152-W379 HydrophobicContact CG2-CH2 4.07Å; I152-W379 HydrophobicContact CG2-CZ3 4.04Å; I152-H389 PolarHBondContact O-CE1 2.95Å; I152-H389 PolarHBondContact O-ND1 2.93Å
153	D	97.6	Very high	96.7	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.056	C	C	.	.	S	Bend	trans	-103.6	-31.8	-180	-62.8	-71.8	0	0	0	111.9	R108 L112 R118 T119 I180	R108-D153 IonicContact CZ-OD1 2.67Å; R108-D153 IonicContact NH1-OD1 3.09Å; R108-D153 PolarHBondContact NH1-OD1 2.69Å; R108-D153 IonicContact NH2-OD1 3.53Å; R108-D153 PolarHBondContact NH2-OD1 3.34Å; L112-D153 HydrophobicContact CD1-CB 3.73Å; R118-D153 WeakPolarHBondContact CA-OD2 3.44Å; R118-D153 HydrophobicContact CB-CB 4.29Å; T119-D153 PolarHBondContact N-OD2 3.43Å; T119-D153 PolarHBondContact O-N 3.45Å; D153-I180 PolarHBondContact O-N 2.79Å
154	I	98.6	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.7	-173.4	-55.8	164.5	0	0	0	108.2	T119 L120 V121 I180 L182 L260 Y321	T119-I154 PolarHBondContact O-N 3.11Å; L120-I154 CarbonylContact C-O 3.6Å; L120-I154 WeakPolarHBondContact CA-O 3.22Å; L120-I154 HydrophobicContact CB-CB 4.19Å; L120-I154 HydrophobicContact CD1-CB 4.14Å; L120-I154 HydrophobicContact CD1-CD1 4.36Å; L120-I154 HydrophobicContact CD1-CG2 3.79Å; L120-I154 HydrophobicContact CG-CB 4.09Å; L120-I154 HydrophobicContact CG-CG2 4.07Å; V121-I154 PolarHBondContact N-O 3.47Å; I154-I180 CarbonylContact C-O 3.35Å; I154-I180 WeakPolarHBondContact CA-O 3.43Å; I154-I180 HydrophobicContact CG1-CB 4.34Å; I154-I180 HydrophobicContact CG2-CG2 4.35Å; I154-L182 HydrophobicContact CG2-CD1 3.66Å; I154-L182 HydrophobicContact CG2-CG 3.75Å; I154-L260 HydrophobicContact CD1-CD1 3.43Å; I154-L260 VanDerWaalsContact CD1-CD1 3.43Å; I154-L260 HydrophobicContact CG1-CD1 3.92Å; I154-Y321 HydrophobicContact CD1-CE1 3.78Å; I154-Y321 WeakPolarHBondContact CD1-OH 3.39Å
155	F	98.8	Very high	97	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.7	172.3	-178.1	-95.6	0	0	0	109.4	V121 H123 W149 I152 Y157 W170 V179 I180 V181 L182	V121-F155 HydrophobicContact CB-CD2 4.36Å; V121-F155 HydrophobicContact CG1-CD2 4.15Å; V121-F155 HydrophobicContact CG1-CE2 4.31Å; V121-F155 CarbonylContact O-C 3.56Å; V121-F155 WeakPolarHBondContact O-CA 3.19Å; H123-F155 HydrophobicContact CB-CE2 3.73Å; H123-F155 HydrophobicContact CB-CZ 3.74Å; H123-F155 AromaticContact CG-CZ 3.89Å; W149-F155 HydrophobicContact CH2-CD2 4.2Å; W149-F155 HydrophobicContact CH2-CE2 4.5Å; W149-F155 HydrophobicContact CH2-CG 4.2Å; W149-F155 HydrophobicContact CZ3-CB 3.93Å; W149-F155 HydrophobicContact CZ3-CD2 4.01Å; W149-F155 AromaticContact CZ3-CG 3.94Å; W149-F155 HydrophobicContact CZ3-CG 3.94Å; I152-F155 HydrophobicContact CD1-CB 4.05Å; I152-F155 HydrophobicContact CD1-CD2 4.15Å; F155-Y157 HydrophobicContact CE1-CD2 4.19Å; F155-W170 HydrophobicContact CE1-CB 4.35Å; F155-W170 HydrophobicContact CE1-CD2 4.04Å; F155-W170 AromaticContact CE1-CE3 3.91Å; F155-W170 HydrophobicContact CE1-CE3 3.91Å; F155-W170 HydrophobicContact CE1-CG 4.26Å; F155-W170 HydrophobicContact CE2-CE3 4.48Å; F155-W170 HydrophobicContact CE2-CZ3 4.37Å; F155-W170 HydrophobicContact CZ-CD2 4.07Å; F155-W170 AromaticContact CZ-CE3 3.75Å; F155-W170 HydrophobicContact CZ-CE3 3.75Å; F155-W170 HydrophobicContact CZ-CH2 4.4Å; F155-W170 AromaticContact CZ-CZ3 3.94Å; F155-W170 HydrophobicContact CZ-CZ3 3.94Å; F155-V179 HydrophobicContact CB-CG1 4.01Å; F155-I180 PolarHBondContact N-O 2.97Å; F155-V181 HydrophobicContact CD1-CG1 4.42Å; F155-V181 CarbonylContact O-C 3.29Å; F155-V181 VanDerWaalsContact O-CA 3.27Å; F155-V181 WeakPolarHBondContact O-CA 3.12Å; F155-L182 PolarHBondContact O-N 2.97Å
156	N	98.8	Very high	97.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.7	173.5	178.8	49.9	0	0	0	109.9	V121 S122 H123 F158 L182 G183 T184 L226	V121-N156 PolarHBondContact O-N 2.78Å; S122-N156 PolarHBondContact OG-ND2 2.83Å; H123-N156 PolarHBondContact N-O 2.77Å; H123-N156 VanDerWaalsContact N-O 3.16Å; H123-N156 PolarHBondContact ND1-O 3.27Å; N156-F158 PolarHBondContact O-N 2.82Å; N156-L182 HydrophobicContact CB-CB 4.26Å; N156-L182 PolarHBondContact OD1-O 2.85Å; N156-G183 PolarHBondContact OD1-O 3.21Å; N156-T184 PolarHBondContact ND2-OG1 3.27Å; N156-T184 VanDerWaalsContact ND2-OG1 3.11Å; N156-T184 PolarHBondContact OD1-OG1 3.2Å; N156-L226 WeakPolarHBondContact ND2-CD2 3.46Å
157	Y	98.6	Very high	97.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.			trans	-78.6	101.5	169	-165	-95.9	0	0	0	108.2	H123 Y129 D132 F155 T159 T164 P166 P167 W170 L182 T184	H123-Y157 AromaticContact CE1-CD2 3.3Å; H123-Y157 WeakPolarHBondContact CE1-CD2 3.49Å; H123-Y157 AromaticContact CE1-CE2 3.54Å; H123-Y157 AromaticContact CE1-CG 3.66Å; H123-Y157 WeakPolarHBondContact ND1-CA 3.4Å; H123-Y157 AromaticContact ND1-CD2 3.92Å; H123-Y157 AromaticContact NE2-CD2 3.65Å; H123-Y157 AromaticContact NE2-CE2 3.43Å; H123-Y157 WeakPolarHBondContact NE2-CE2 3.48Å; Y129-Y157 WeakPolarHBondContact CA-OH 3.21Å; Y129-Y157 HydrophobicContact CD1-CE1 4.33Å; Y129-Y157 HydrophobicContact CD2-CE1 4.33Å; Y129-Y157 AromaticContact CE1-CE1 3.97Å; Y129-Y157 HydrophobicContact CE1-CE1 3.97Å; Y129-Y157 AromaticContact CE2-CE1 4Å; Y129-Y157 HydrophobicContact CE2-CE1 4Å; Y129-Y157 HydrophobicContact CG-CE1 4.5Å; Y129-Y157 AromaticContact CZ-CE1 3.8Å; Y129-Y157 PolarHBondContact N-OH 3.21Å; D132-Y157 WeakPolarHBondContact OD2-CE2 3.44Å; D132-Y157 VanDerWaalsContact OD2-CZ 3.24Å; D132-Y157 PolarHBondContact OD2-OH 3.19Å; F155-Y157 HydrophobicContact CE1-CD2 4.19Å; Y157-T159 HydrophobicContact CD1-CG2 4.31Å; Y157-T159 HydrophobicContact CE1-CG2 3.83Å; Y157-T164 HydrophobicContact CD1-CG2 3.49Å; Y157-T164 VanDerWaalsContact CD1-CG2 3.49Å; Y157-T164 HydrophobicContact CE1-CG2 4.09Å; Y157-T164 WeakPolarHBondContact O-CG2 3.49Å; Y157-P166 HydrophobicContact CG-CB 4.3Å; Y157-P167 VanDerWaalsContact CE1-CD 3.48Å; Y157-P167 HydrophobicContact CE1-CG 4.13Å; Y157-P167 HydrophobicContact CE2-CG 4.16Å; Y157-P167 VanDerWaalsContact CZ-CD 3.44Å; Y157-W170 AromaticContact CD2-CD1 3.77Å; Y157-W170 HydrophobicContact CD2-CG 4.24Å; Y157-W170 AromaticContact CE2-CD1 3.53Å; Y157-W170 HydrophobicContact CE2-CG 4.39Å; Y157-W170 AromaticContact CE2-NE1 3.46Å; Y157-L182 PolarHBondContact N-O 2.99Å; Y157-T184 PolarHBondContact O-OG1 2.89Å
158	F	97.9	Very high	97.2	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.026	6%	0.056	C	C	.	.			trans	-104.2	130.6	-173.1	-173.4	-90.3	0	0	0	110.8	S122 H123 D124 N156 H160 T184 I186 L226 F356	S122-F158 WeakPolarHBondContact OG-CB 3.23Å; H123-F158 PolarHBondContact CE1-N 3.04Å; H123-F158 PolarHBondContact CE1-O 3.43Å; H123-F158 VanDerWaalsContact CE1-O 3.22Å; H123-F158 PolarHBondContact ND1-N 3.3Å; H123-F158 VanDerWaalsContact ND1-N 3.14Å; D124-F158 HydrophobicContact CB-CB 4.49Å; D124-F158 HydrophobicContact CB-CD1 3.79Å; D124-F158 HydrophobicContact CB-CG 4.47Å; N156-F158 PolarHBondContact O-N 2.82Å; F158-H160 AromaticContact CE1-NE2 3.97Å; F158-T184 HydrophobicContact CD2-CG2 3.91Å; F158-T184 HydrophobicContact CE2-CG2 3.97Å; F158-I186 HydrophobicContact CE2-CD1 4.46Å; F158-I186 HydrophobicContact CZ-CD1 4.15Å; F158-L226 HydrophobicContact CD2-CD2 4.2Å; F158-L226 HydrophobicContact CE2-CD2 4.41Å; F158-F356 HydrophobicContact CD1-CE2 4.18Å; F158-F356 HydrophobicContact CD1-CZ 4.5Å; F158-F356 HydrophobicContact CD2-CE2 4.48Å; F158-F356 HydrophobicContact CE1-CE2 4.17Å; F158-F356 HydrophobicContact CE1-CZ 4.19Å; F158-F356 HydrophobicContact CE2-CE2 4.46Å; F158-F356 HydrophobicContact CG-CE2 4.34Å; F158-F356 HydrophobicContact CZ-CE2 4.31Å; F158-F356 HydrophobicContact CZ-CZ 4.48Å
159	T	96.4	Very high	97.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.			trans	-142.4	171.2	164.8	80.6	0	0	0	0	108.8	G127 Y129 Y157 Q161 T164	G127-T159 WeakPolarHBondContact O-CB 3.33Å; G127-T159 WeakPolarHBondContact O-CG2 3.4Å; Y129-T159 HydrophobicContact CD2-CG2 4.02Å; Y129-T159 HydrophobicContact CE2-CG2 3.76Å; Y157-T159 HydrophobicContact CD1-CG2 4.31Å; Y157-T159 HydrophobicContact CE1-CG2 3.83Å; T159-Q161 PolarHBondContact O-N 2.75Å; T159-Q161 WeakPolarHBondContact OG1-CB 2.93Å; T159-Q161 PolarHBondContact OG1-N 2.87Å; T159-Q161 VanDerWaalsContact OG1-N 3.1Å; T159-T164 HydrophobicContact CG2-CG2 3.84Å; T159-T164 PolarHBondContact OG1-OG1 3.11Å
160	H	94.8	Very high	97.2	Very high	106 Å²	106	11.8 Å²	11.8	49%	0.491	6%	0.056	S	C	.	.	S	Bend	trans	-85.8	13.9	172.6	-65.9	-86.6	0	0	0	113.3	F158 E188	F158-H160 AromaticContact CE1-NE2 3.97Å; H160-E188 IonicContact CE1-OE1 2.81Å; H160-E188 IonicContact CG-OE2 3.64Å; H160-E188 IonicContact ND1-OE1 2.68Å; H160-E188 PolarHBondContact ND1-OE1 2.82Å; H160-E188 VanDerWaalsContact ND1-OE1 3.09Å; H160-E188 IonicContact ND1-OE2 3.95Å; H160-E188 PolarHBondContact ND1-OE2 3.19Å
161	Q	95.6	Very high	97.5	Very high	52 Å²	52	11.2 Å²	11.2	24%	0.243	5%	0.054	C	C	.	.	S	Bend	trans	-79.1	138	169.7	-63.3	-173.4	30.7	0	0	110.3	T159 V163 T164 I186	T159-Q161 PolarHBondContact O-N 2.75Å; T159-Q161 WeakPolarHBondContact OG1-CB 2.93Å; T159-Q161 PolarHBondContact OG1-N 2.87Å; T159-Q161 VanDerWaalsContact OG1-N 3.1Å; Q161-V163 VanDerWaalsContact C-N 3.26Å; Q161-V163 PolarHBondContact O-N 3.35Å; Q161-V163 VanDerWaalsContact O-N 3.13Å; Q161-T164 PolarHBondContact O-OG1 3.48Å; Q161-I186 VanDerWaalsContact O-CG2 3.27Å; Q161-I186 WeakPolarHBondContact O-CG2 3.47Å
162	M	97.3	Very high	97.7	Very high	28 Å²	28	11 Å²	11	14%	0.138	5%	0.054	C	C	.	.	S	Bend	trans	-49.4	-44.6	-175.7	-177.4	-175.4	-65.6	0	0	113.2	S83 M84 F185 I186 V195	S83-M162 VanDerWaalsContact C-SD 3.55Å; M84-M162 HydrophobicContact CB-SD 4.18Å; M84-M162 HydrophobicContact CE-SD 4.35Å; M84-M162 PolarHBondContact N-SD 2.89Å; M162-F185 HydrophobicContact CG-CD2 4.42Å; M162-F185 HydrophobicContact CG-CE2 3.96Å; M162-F185 CarbonylContact O-C 3.5Å; M162-F185 VanDerWaalsContact O-CA 3.3Å; M162-F185 WeakPolarHBondContact O-CA 3.5Å; M162-F185 VanDerWaalsContact O-CD2 3.32Å; M162-F185 WeakPolarHBondContact O-CD2 3.41Å; M162-F185 HydrophobicContact SD-CE2 4.5Å; M162-I186 WeakPolarHBondContact CA-O 3.45Å; M162-I186 WeakPolarHBondContact CG-O 3.12Å; M162-I186 PolarHBondContact O-N 3.25Å; M162-V195 HydrophobicContact CE-CB 4.46Å; M162-V195 HydrophobicContact CE-CG1 4.09Å; M162-V195 HydrophobicContact CE-CG2 3.83Å; M162-V195 HydrophobicContact SD-CG1 4.29Å
163	V	98.4	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	107.7	171	-172.3	0	0	0	0	108.4	G80 L81 L87 Q161 V165 F185 L213 W225	G80-V163 CarbonylContact C-O 3.56Å; G80-V163 WeakPolarHBondContact CA-O 3.48Å; L81-V163 HydrophobicContact CB-CB 3.88Å; L81-V163 HydrophobicContact CB-CG2 4.18Å; L81-V163 HydrophobicContact CD1-CB 4.27Å; L81-V163 HydrophobicContact CD1-CG1 4.33Å; L81-V163 HydrophobicContact CD1-CG2 4.4Å; L81-V163 HydrophobicContact CG-CB 4.18Å; L81-V163 PolarHBondContact N-O 3.01Å; L81-V163 PolarHBondContact O-N 2.78Å; L87-V163 HydrophobicContact CB-CG2 4.17Å; L87-V163 HydrophobicContact CD1-CG2 4.1Å; L87-V163 HydrophobicContact CD2-CG2 3.86Å; L87-V163 HydrophobicContact CG-CG2 4.26Å; Q161-V163 VanDerWaalsContact C-N 3.26Å; Q161-V163 PolarHBondContact O-N 3.35Å; Q161-V163 VanDerWaalsContact O-N 3.13Å; V163-V165 HydrophobicContact CG1-CG2 4.43Å; V163-F185 HydrophobicContact CG2-CD2 3.98Å; V163-F185 HydrophobicContact CG2-CE2 4.31Å; V163-L213 HydrophobicContact CG1-CD2 3.95Å; V163-L213 HydrophobicContact CG2-CD2 4.42Å; V163-W225 HydrophobicContact CG1-CH2 3.55Å; V163-W225 HydrophobicContact CG1-CZ3 3.74Å
164	T	98.4	Very high	97.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.9	176.2	-63.4	0	0	0	0	109.6	Y129 Y157 T159 Q161 G183 T184 W225	Y129-T164 HydrophobicContact CE2-CG2 4.45Å; Y157-T164 HydrophobicContact CD1-CG2 3.49Å; Y157-T164 VanDerWaalsContact CD1-CG2 3.49Å; Y157-T164 HydrophobicContact CE1-CG2 4.09Å; Y157-T164 WeakPolarHBondContact O-CG2 3.49Å; T159-T164 HydrophobicContact CG2-CG2 3.84Å; T159-T164 PolarHBondContact OG1-OG1 3.11Å; Q161-T164 PolarHBondContact O-OG1 3.48Å; T164-G183 VanDerWaalsContact O-CA 3.23Å; T164-G183 WeakPolarHBondContact O-CA 3.5Å; T164-T184 PolarHBondContact N-O 2.93Å; T164-T184 PolarHBondContact O-N 3.2Å; T164-W225 WeakPolarHBondContact O-CZ3 3.36Å
165	V	98.2	Very high	97.7	Very high	11 Å²	11	11 Å²	11	7%	0.067	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-97.3	118.8	173.5	179.4	0	0	0	0	109.2	Y129 V163 I216 Y220 F222	Y129-V165 WeakPolarHBondContact CE1-O 3.33Å; Y129-V165 PolarHBondContact OH-N 3.42Å; Y129-V165 PolarHBondContact OH-O 3.17Å; V163-V165 HydrophobicContact CG1-CG2 4.43Å; V165-I216 HydrophobicContact CG2-CG2 3.7Å; V165-Y220 HydrophobicContact CG1-CD2 3.73Å; V165-Y220 HydrophobicContact CG1-CE2 4.16Å; V165-Y220 HydrophobicContact CG1-CG 4.36Å; V165-F222 HydrophobicContact CG1-CE1 3.92Å
166	P	98.3	Very high	97.6	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.019	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-58.2	130.4	178.6	-21.4	31.4	0	0	0	111.5	Y157 A168 V181 F222	Y157-P166 HydrophobicContact CG-CB 4.3Å; P166-A168 PolarHBondContact O-N 2.68Å; P166-V181 HydrophobicContact CB-CG1 3.73Å; P166-V181 HydrophobicContact CG-CG1 3.73Å; P166-F222 HydrophobicContact CG-CB 4.35Å; P166-F222 HydrophobicContact CG-CD1 4.47Å; P166-F222 HydrophobicContact CG-CD2 4.03Å; P166-F222 HydrophobicContact CG-CE2 4.45Å; P166-F222 HydrophobicContact CG-CG 4.04Å
167	P	97.8	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-57.6	139.8	171.5	-25.2	33.3	0	0	0	111.7	S78 Y129 D132 Y157 V169 W170 T171	S78-P167 WeakPolarHBondContact OG-CA 3.11Å; Y129-P167 HydrophobicContact CD1-CG 3.94Å; Y129-P167 HydrophobicContact CE1-CG 3.91Å; D132-P167 WeakPolarHBondContact O-CB 3.47Å; Y157-P167 VanDerWaalsContact CE1-CD 3.48Å; Y157-P167 HydrophobicContact CE1-CG 4.13Å; Y157-P167 HydrophobicContact CE2-CG 4.16Å; Y157-P167 VanDerWaalsContact CZ-CD 3.44Å; P167-V169 HydrophobicContact CB-CG2 4.16Å; P167-V169 PolarHBondContact O-N 3.35Å; P167-W170 WeakPolarHBondContact O-CB 3.46Å; P167-W170 PolarHBondContact O-N 3.32Å; P167-T171 PolarHBondContact O-N 2.9Å
168	A	97.2	Very high	97.4	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.033	7%	0.066	C	C	.	.	H	α-helix	trans	-55.5	-30.7	-174.3	0	0	0	0	0	113.3	V135 P166 W170 T171 N172	V135-A168 HydrophobicContact CG1-CB 4.47Å; P166-A168 PolarHBondContact O-N 2.68Å; A168-W170 VanDerWaalsContact C-N 3.29Å; A168-W170 PolarHBondContact O-N 2.92Å; A168-T171 PolarHBondContact O-N 3.37Å; A168-N172 VanDerWaalsContact O-CB 3.26Å; A168-N172 WeakPolarHBondContact O-CB 3.41Å; A168-N172 PolarHBondContact O-N 3.22Å; A168-N172 PolarHBondContact O-ND2 2.84Å; A168-N172 VanDerWaalsContact O-ND2 3.08Å
169	V	97.2	Very high	97.4	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.018	7%	0.065	C	C	.	.	H	α-helix	trans	-62.5	-34.3	178.4	-60.4	0	0	0	0	112.4	D132 V135 P167 A173 L424	D132-V169 HydrophobicContact CB-CG2 4.19Å; D132-V169 WeakPolarHBondContact O-CG2 3.4Å; V135-V169 HydrophobicContact CB-CG1 4.39Å; V135-V169 WeakPolarHBondContact O-CG1 3.43Å; P167-V169 HydrophobicContact CB-CG2 4.16Å; P167-V169 PolarHBondContact O-N 3.35Å; V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 2.93Å; V169-L424 HydrophobicContact CB-CB 4.02Å; V169-L424 HydrophobicContact CG2-CB 4.44Å; V169-L424 WeakPolarHBondContact O-CB 3.19Å
170	W	98.2	Very high	97.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-73.5	-47.9	175.1	-76	111.3	0	0	0	111.7	D132 Y144 F146 W149 F155 Y157 P167 A168 N172 A173 A174 L424	D132-W170 PolarHBondContact OD2-NE1 3.26Å; Y144-W170 AromaticContact CD1-CH2 3.96Å; Y144-W170 HydrophobicContact CD1-CH2 3.96Å; Y144-W170 AromaticContact CD1-CZ2 3.98Å; Y144-W170 HydrophobicContact CD1-CZ2 3.98Å; Y144-W170 AromaticContact CE1-CH2 3.97Å; Y144-W170 HydrophobicContact CE1-CH2 3.97Å; Y144-W170 HydrophobicContact CE1-CZ2 4.27Å; F146-W170 HydrophobicContact CB-CH2 4.03Å; F146-W170 HydrophobicContact CB-CZ3 3.84Å; W149-W170 AromaticContact CH2-CE3 3.9Å; W149-W170 HydrophobicContact CH2-CE3 3.9Å; W149-W170 HydrophobicContact CH2-CZ3 4.11Å; W149-W170 HydrophobicContact CZ2-CE3 4.06Å; W149-W170 HydrophobicContact CZ2-CZ3 4.03Å; F155-W170 HydrophobicContact CE1-CB 4.35Å; F155-W170 HydrophobicContact CE1-CD2 4.04Å; F155-W170 AromaticContact CE1-CE3 3.91Å; F155-W170 HydrophobicContact CE1-CE3 3.91Å; F155-W170 HydrophobicContact CE1-CG 4.26Å; F155-W170 HydrophobicContact CE2-CE3 4.48Å; F155-W170 HydrophobicContact CE2-CZ3 4.37Å; F155-W170 HydrophobicContact CZ-CD2 4.07Å; F155-W170 AromaticContact CZ-CE3 3.75Å; F155-W170 HydrophobicContact CZ-CE3 3.75Å; F155-W170 HydrophobicContact CZ-CH2 4.4Å; F155-W170 AromaticContact CZ-CZ3 3.94Å; F155-W170 HydrophobicContact CZ-CZ3 3.94Å; Y157-W170 AromaticContact CD2-CD1 3.77Å; Y157-W170 HydrophobicContact CD2-CG 4.24Å; Y157-W170 AromaticContact CE2-CD1 3.53Å; Y157-W170 HydrophobicContact CE2-CG 4.39Å; Y157-W170 AromaticContact CE2-NE1 3.46Å; P167-W170 WeakPolarHBondContact O-CB 3.46Å; P167-W170 PolarHBondContact O-N 3.32Å; A168-W170 VanDerWaalsContact C-N 3.29Å; A168-W170 PolarHBondContact O-N 2.92Å; W170-N172 VanDerWaalsContact C-N 3.3Å; W170-N172 PolarHBondContact O-N 2.77Å; W170-A173 PolarHBondContact O-N 3.42Å; W170-A174 WeakPolarHBondContact O-CB 3.41Å; W170-A174 PolarHBondContact O-N 2.92Å; W170-L424 HydrophobicContact CD2-CD1 3.61Å; W170-L424 HydrophobicContact CE3-CD1 3.56Å; W170-L424 HydrophobicContact CG-CD1 4.37Å; W170-L424 HydrophobicContact CH2-CD1 3.65Å; W170-L424 HydrophobicContact CZ2-CD1 3.7Å; W170-L424 HydrophobicContact CZ3-CD1 3.56Å
171	T	98.4	Very high	97.6	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-57.2	-46.3	176.7	-50.5	0	0	0	0	110.7	A101 P167 A168 A173 A174 H175 G221 F222	A101-T171 HydrophobicContact CB-CG2 3.57Å; P167-T171 PolarHBondContact O-N 2.9Å; A168-T171 PolarHBondContact O-N 3.37Å; T171-A173 PolarHBondContact O-N 3.43Å; T171-A174 PolarHBondContact O-N 3.02Å; T171-H175 VanDerWaalsContact CG2-CE1 3.42Å; T171-H175 WeakPolarHBondContact CG2-CE1 3.45Å; T171-H175 WeakPolarHBondContact O-CB 3.27Å; T171-H175 PolarHBondContact O-CD2 2.93Å; T171-H175 PolarHBondContact O-N 3.05Å; T171-G221 VanDerWaalsContact CG2-O 3.32Å; T171-G221 WeakPolarHBondContact CG2-O 3.39Å; T171-F222 HydrophobicContact CG2-CB 4.12Å
172	N	97.8	Very high	97.8	Very high	10 Å²	10	6.3 Å²	6.3	5%	0.053	3%	0.032	C	C	.	.	H	α-helix	trans	-60.3	-44.2	178.1	-71.7	-27.5	0	0	0	112.9	A101 A102 V103 A168 W170 K176	A101-N172 WeakPolarHBondContact CA-OD1 3.48Å; A102-N172 PolarHBondContact N-OD1 2.91Å; V103-N172 HydrophobicContact CB-CB 4.27Å; V103-N172 HydrophobicContact CG2-CB 3.93Å; V103-N172 PolarHBondContact N-OD1 3.15Å; A168-N172 VanDerWaalsContact O-CB 3.26Å; A168-N172 WeakPolarHBondContact O-CB 3.41Å; A168-N172 PolarHBondContact O-N 3.22Å; A168-N172 PolarHBondContact O-ND2 2.84Å; A168-N172 VanDerWaalsContact O-ND2 3.08Å; W170-N172 VanDerWaalsContact C-N 3.3Å; W170-N172 PolarHBondContact O-N 2.77Å; N172-K176 WeakPolarHBondContact O-CB 3.3Å; N172-K176 PolarHBondContact O-N 3.29Å
173	A	98	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.4	-48.5	178.8	0	0	0	0	0	111.6	W149 V169 W170 T171 K176 H177 L424	W149-A173 HydrophobicContact CZ2-CB 3.91Å; V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 2.93Å; W170-A173 PolarHBondContact O-N 3.42Å; T171-A173 PolarHBondContact O-N 3.43Å; A173-K176 WeakPolarHBondContact O-CB 3.22Å; A173-K176 PolarHBondContact O-N 2.94Å; A173-H177 PolarHBondContact O-ND1 3.36Å; A173-L424 HydrophobicContact CB-CB 4.21Å
174	A	98.2	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.6	-46.8	179.6	0	0	0	0	0	112.3	W149 W170 T171 K176 H177 G178 V179 V181	W149-A174 HydrophobicContact CE3-CB 4.09Å; W149-A174 HydrophobicContact CH2-CB 3.8Å; W149-A174 HydrophobicContact CZ3-CB 3.53Å; W170-A174 WeakPolarHBondContact O-CB 3.41Å; W170-A174 PolarHBondContact O-N 2.92Å; T171-A174 PolarHBondContact O-N 3.02Å; A174-K176 VanDerWaalsContact C-N 3.3Å; A174-K176 PolarHBondContact O-N 3.44Å; A174-H177 CarbonylContact O-C 3.54Å; A174-H177 WeakPolarHBondContact O-CA 3.42Å; A174-H177 PolarHBondContact O-N 2.78Å; A174-G178 PolarHBondContact O-N 2.76Å; A174-G178 VanDerWaalsContact O-N 3.09Å; A174-V179 CarbonylContact C-O 3.57Å; A174-V179 HydrophobicContact CB-CB 4.06Å; A174-V179 HydrophobicContact CB-CG1 4.31Å; A174-V179 PolarHBondContact O-N 3.34Å; A174-V181 HydrophobicContact CB-CG2 3.2Å
175	H	97.8	Very high	97.9	Very high	4 Å²	4	5 Å²	5	2%	0.019	3%	0.025	C	C	.	.	H	α-helix	trans	-59.9	-39.5	179.4	-79.7	-164.8	0	0	0	112.6	V103 L105 A106 T171 H177 G178 G221 D223	V103-H175 HydrophobicContact CB-CB 4.44Å; V103-H175 HydrophobicContact CG1-CB 4.15Å; V103-H175 WeakPolarHBondContact O-CB 3.46Å; V103-H175 PolarHBondContact O-ND1 3.49Å; L105-H175 PolarHBondContact N-ND1 3.27Å; A106-H175 WeakPolarHBondContact CB-O 3.47Å; A106-H175 PolarHBondContact N-O 3.17Å; T171-H175 VanDerWaalsContact CG2-CE1 3.42Å; T171-H175 WeakPolarHBondContact CG2-CE1 3.45Å; T171-H175 WeakPolarHBondContact O-CB 3.27Å; T171-H175 PolarHBondContact O-CD2 2.93Å; T171-H175 PolarHBondContact O-N 3.05Å; H175-H177 PolarHBondContact O-N 3.22Å; H175-G178 PolarHBondContact O-N 2.9Å; H175-G221 PolarHBondContact CE1-O 3.15Å; H175-D223 IonicContact CD2-OD2 3.59Å; H175-D223 IonicContact CE1-OD1 3.86Å; H175-D223 IonicContact CE1-OD2 2.68Å; H175-D223 IonicContact NE2-OD1 2.66Å; H175-D223 IonicContact NE2-OD2 3.82Å; H175-D223 PolarHBondContact NE2-OD2 2.98Å
176	K	96.1	Very high	97.9	Very high	52 Å²	52	4.6 Å²	4.6	23%	0.226	2%	0.023	C	C	.	.	H	α-helix	trans	-56.2	-33.9	174.3	-165.6	174.5	-64.6	177.9	0	111.9	V103 N172 A173 A174 A425 Q427 I429	V103-K176 HydrophobicContact CG1-CB 4.24Å; N172-K176 WeakPolarHBondContact O-CB 3.3Å; N172-K176 PolarHBondContact O-N 3.29Å; A173-K176 WeakPolarHBondContact O-CB 3.22Å; A173-K176 PolarHBondContact O-N 2.94Å; A174-K176 VanDerWaalsContact C-N 3.3Å; A174-K176 PolarHBondContact O-N 3.44Å; K176-A425 PolarHBondContact NZ-O 2.77Å; K176-Q427 VanDerWaalsContact CD-O 3.29Å; K176-Q427 WeakPolarHBondContact CD-O 3.29Å; K176-Q427 WeakPolarHBondContact CE-O 3.49Å; K176-Q427 PolarHBondContact NZ-O 2.94Å; K176-I429 HydrophobicContact CG-CD1 3.76Å; K176-I429 HydrophobicContact CG-CG1 4.33Å; K176-I429 WeakPolarHBondContact O-CD1 3.34Å
177	H	96.8	Very high	97.9	Very high	5 Å²	5	4.5 Å²	4.5	2%	0.023	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.4	177.9	-62	88.1	0	0	0	113.7	W149 A173 A174 H175 V179 H389 E428 Q430	W149-H177 HydrophobicContact CB-CB 3.51Å; W149-H177 VanDerWaalsContact CB-CG 3.46Å; W149-H177 AromaticContact CD1-CD2 3.9Å; W149-H177 AromaticContact CD1-CE1 3.37Å; W149-H177 AromaticContact CD1-CG 3.7Å; W149-H177 AromaticContact CD1-ND1 3.36Å; W149-H177 AromaticContact CD1-NE2 3.72Å; W149-H177 HydrophobicContact CG-CB 3.97Å; W149-H177 AromaticContact CG-CG 3.62Å; W149-H177 AromaticContact CG-ND1 3.63Å; W149-H177 AromaticContact NE1-CE1 3.91Å; W149-H177 AromaticContact NE1-ND1 3.88Å; A173-H177 PolarHBondContact O-ND1 3.36Å; A174-H177 CarbonylContact O-C 3.54Å; A174-H177 WeakPolarHBondContact O-CA 3.42Å; A174-H177 PolarHBondContact O-N 2.78Å; H175-H177 PolarHBondContact O-N 3.22Å; H177-V179 HydrophobicContact CB-CG2 4.28Å; H177-H389 PolarHBondContact O-NE2 3.01Å; H177-E428 PolarHBondContact CE1-O 3.01Å; H177-Q430 PolarHBondContact NE2-N 3.34Å
178	G	96.3	Very high	97.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.01	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	27.2	-177	0	0	0	0	0	113.7	A106 R108 A174 H175	A106-G178 WeakPolarHBondContact O-CA 3.24Å; R108-G178 WeakPolarHBondContact CD-O 3.42Å; A174-G178 PolarHBondContact O-N 2.76Å; A174-G178 VanDerWaalsContact O-N 3.09Å; H175-G178 PolarHBondContact O-N 2.9Å
179	V	97.8	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.067	C	C	.	.			trans	-97.9	130.9	177.3	176.1	0	0	0	0	109.3	L105 W149 I152 F155 A174 H177	L105-V179 WeakPolarHBondContact CD1-O 3.32Å; W149-V179 HydrophobicContact CB-CG2 4.34Å; W149-V179 HydrophobicContact CE3-CB 4.1Å; W149-V179 HydrophobicContact CE3-CG1 4.1Å; W149-V179 HydrophobicContact CE3-CG2 4.04Å; W149-V179 HydrophobicContact CZ3-CG1 4.21Å; I152-V179 HydrophobicContact CD1-CG1 3.99Å; I152-V179 HydrophobicContact CG1-CG1 3.98Å; I152-V179 HydrophobicContact CG1-CG2 4.13Å; I152-V179 WeakPolarHBondContact O-CG2 3.43Å; F155-V179 HydrophobicContact CB-CG1 4.01Å; A174-V179 CarbonylContact C-O 3.57Å; A174-V179 HydrophobicContact CB-CB 4.06Å; A174-V179 HydrophobicContact CB-CG1 4.31Å; A174-V179 PolarHBondContact O-N 3.34Å; H177-V179 HydrophobicContact CB-CG2 4.28Å
180	I	98.1	Very high	97.5	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.036	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.2	176.7	-70.7	-169.9	0	0	0	109.8	L105 L112 D153 I154 F155 L182 D223 S258 L260	L105-I180 HydrophobicContact CD2-CG1 4.07Å; L112-I180 HydrophobicContact CD2-CD1 3.36Å; L112-I180 HydrophobicContact CD2-CG1 4.38Å; D153-I180 PolarHBondContact O-N 2.79Å; I154-I180 CarbonylContact C-O 3.35Å; I154-I180 WeakPolarHBondContact CA-O 3.43Å; I154-I180 HydrophobicContact CG1-CB 4.34Å; I154-I180 HydrophobicContact CG2-CG2 4.35Å; F155-I180 PolarHBondContact N-O 2.97Å; I180-L182 HydrophobicContact CG2-CD2 3.82Å; I180-L182 HydrophobicContact CG2-CG 4.49Å; I180-D223 VanDerWaalsContact CA-OD2 3.31Å; I180-D223 WeakPolarHBondContact CA-OD2 3.36Å; I180-D223 HydrophobicContact CB-CB 4.48Å; I180-D223 HydrophobicContact CG2-CB 3.58Å; I180-S258 WeakPolarHBondContact CD1-O 3.29Å; I180-L260 HydrophobicContact CD1-CD1 3.91Å; I180-L260 HydrophobicContact CD1-CG 4.14Å; I180-L260 HydrophobicContact CG2-CD1 4.12Å
181	V	98.8	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.3	176.9	-176.8	0	0	0	0	112.3	F155 P166 A174 F222 D223	F155-V181 HydrophobicContact CD1-CG1 4.42Å; F155-V181 CarbonylContact O-C 3.29Å; F155-V181 VanDerWaalsContact O-CA 3.27Å; F155-V181 WeakPolarHBondContact O-CA 3.12Å; P166-V181 HydrophobicContact CB-CG1 3.73Å; P166-V181 HydrophobicContact CG-CG1 3.73Å; A174-V181 HydrophobicContact CB-CG2 3.2Å; V181-F222 HydrophobicContact CB-CB 4.47Å; V181-F222 HydrophobicContact CG1-CB 4.49Å; V181-D223 PolarHBondContact N-OD2 3.4Å; V181-D223 WeakPolarHBondContact O-CA 3.36Å; V181-D223 WeakPolarHBondContact O-CB 3.32Å; V181-D223 PolarHBondContact O-N 3.37Å
182	L	98.9	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.4	175.8	-50.2	-177.6	0	0	0	110.9	L120 I154 F155 N156 Y157 I180 G224 L260 L262	L120-L182 HydrophobicContact CD1-CD1 4.5Å; I154-L182 HydrophobicContact CG2-CD1 3.66Å; I154-L182 HydrophobicContact CG2-CG 3.75Å; F155-L182 PolarHBondContact O-N 2.97Å; N156-L182 HydrophobicContact CB-CB 4.26Å; N156-L182 PolarHBondContact OD1-O 2.85Å; Y157-L182 PolarHBondContact N-O 2.99Å; I180-L182 HydrophobicContact CG2-CD2 3.82Å; I180-L182 HydrophobicContact CG2-CG 4.49Å; L182-G224 WeakPolarHBondContact CA-O 3.12Å; L182-L260 HydrophobicContact CD2-CB 4.09Å; L182-L262 HydrophobicContact CD1-CD1 3.57Å; L182-L262 HydrophobicContact CD1-CG 3.94Å
183	G	98.8	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	178.2	155.8	0	0	0	0	0	110.9	N156 T164 G224 W225 L226	N156-G183 PolarHBondContact OD1-O 3.21Å; T164-G183 VanDerWaalsContact O-CA 3.23Å; T164-G183 WeakPolarHBondContact O-CA 3.5Å; G183-G224 PolarHBondContact N-O 3.13Å; G183-W225 CarbonylContact O-C 3.47Å; G183-W225 WeakPolarHBondContact O-CA 3.13Å; G183-L226 PolarHBondContact O-N 3.43Å
184	T	98.8	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.7	176.5	-61.7	0	0	0	0	110	N156 Y157 F158 T164 I186 L226	N156-T184 PolarHBondContact ND2-OG1 3.27Å; N156-T184 VanDerWaalsContact ND2-OG1 3.11Å; N156-T184 PolarHBondContact OD1-OG1 3.2Å; Y157-T184 PolarHBondContact O-OG1 2.89Å; F158-T184 HydrophobicContact CD2-CG2 3.91Å; F158-T184 HydrophobicContact CE2-CG2 3.97Å; T164-T184 PolarHBondContact N-O 2.93Å; T164-T184 PolarHBondContact O-N 3.2Å; T184-I186 HydrophobicContact CG2-CB 4.07Å; T184-I186 HydrophobicContact CG2-CG2 4.39Å; T184-L226 CarbonylContact C-O 3.59Å; T184-L226 WeakPolarHBondContact CA-O 3.44Å
185	F	98.8	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114	164.6	177.7	-109.3	0	0	0	108.3	M84 L87 M162 V163 T187 F199 V209 L213 W225 L226 I227 N228 I229	M84-F185 HydrophobicContact CE-CE2 4.22Å; M84-F185 HydrophobicContact CE-CZ 3.96Å; L87-F185 HydrophobicContact CD2-CE2 4.22Å; M162-F185 HydrophobicContact CG-CD2 4.42Å; M162-F185 HydrophobicContact CG-CE2 3.96Å; M162-F185 CarbonylContact O-C 3.5Å; M162-F185 VanDerWaalsContact O-CA 3.3Å; M162-F185 WeakPolarHBondContact O-CA 3.5Å; M162-F185 VanDerWaalsContact O-CD2 3.32Å; M162-F185 WeakPolarHBondContact O-CD2 3.41Å; M162-F185 HydrophobicContact SD-CE2 4.5Å; V163-F185 HydrophobicContact CG2-CD2 3.98Å; V163-F185 HydrophobicContact CG2-CE2 4.31Å; F185-T187 HydrophobicContact CE1-CG2 4.4Å; F185-T187 HydrophobicContact CZ-CG2 4.21Å; F185-F199 HydrophobicContact CE1-CE1 4.13Å; F185-F199 HydrophobicContact CE1-CE2 4.47Å; F185-F199 AromaticContact CE1-CZ 3.83Å; F185-F199 HydrophobicContact CE1-CZ 3.83Å; F185-F199 HydrophobicContact CZ-CE1 4.1Å; F185-F199 HydrophobicContact CZ-CZ 4.18Å; F185-V209 HydrophobicContact CZ-CG1 4.32Å; F185-L213 HydrophobicContact CB-CD1 4.31Å; F185-L213 HydrophobicContact CD2-CD1 4.44Å; F185-L213 HydrophobicContact CD2-CD2 4.33Å; F185-L213 HydrophobicContact CG-CD1 4.18Å; F185-W225 HydrophobicContact CB-CE3 4.47Å; F185-L226 PolarHBondContact N-O 3.04Å; F185-I227 HydrophobicContact CB-CD1 3.85Å; F185-I227 HydrophobicContact CD1-CD1 4.28Å; F185-I227 HydrophobicContact CD1-CG2 4.38Å; F185-I227 WeakPolarHBondContact O-CA 3.3Å; F185-N228 PolarHBondContact O-N 2.9Å; F185-I229 HydrophobicContact CE1-CD1 4.37Å
186	I	98.4	Very high	97.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.1	-173.3	-170.8	172.9	0	0	0	111.7	F158 Q161 M162 T184 E188 N228	F158-I186 HydrophobicContact CE2-CD1 4.46Å; F158-I186 HydrophobicContact CZ-CD1 4.15Å; Q161-I186 VanDerWaalsContact O-CG2 3.27Å; Q161-I186 WeakPolarHBondContact O-CG2 3.47Å; M162-I186 WeakPolarHBondContact CA-O 3.45Å; M162-I186 WeakPolarHBondContact CG-O 3.12Å; M162-I186 PolarHBondContact O-N 3.25Å; T184-I186 HydrophobicContact CG2-CB 4.07Å; T184-I186 HydrophobicContact CG2-CG2 4.39Å; I186-E188 HydrophobicContact CD1-CG 3.69Å; I186-E188 HydrophobicContact CG1-CG 3.69Å; I186-N228 WeakPolarHBondContact CA-O 3.39Å; I186-N228 HydrophobicContact CB-CB 4.33Å; I186-N228 HydrophobicContact CD1-CB 4.32Å; I186-N228 HydrophobicContact CG1-CB 3.99Å; I186-N228 WeakPolarHBondContact CG1-O 3.38Å
187	T	98.2	Very high	97.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.6	167.6	62.2	0	0	0	0	108.9	F185 V195 C196 N228 I229 E230 N231	F185-T187 HydrophobicContact CE1-CG2 4.4Å; F185-T187 HydrophobicContact CZ-CG2 4.21Å; T187-V195 HydrophobicContact CG2-CG1 4.27Å; T187-C196 PolarHBondContact OG1-SG 3.26Å; T187-N228 PolarHBondContact N-O 2.83Å; T187-I229 HydrophobicContact CG2-CD1 4.24Å; T187-I229 WeakPolarHBondContact OG1-CD1 3.44Å; T187-E230 WeakPolarHBondContact O-CA 3.33Å; T187-E230 PolarHBondContact O-N 2.78Å; T187-N231 VanDerWaalsContact C-OD1 3.28Å; T187-N231 WeakPolarHBondContact CB-OD1 3.4Å; T187-N231 PolarHBondContact O-OD1 2.98Å; T187-N231 PolarHBondContact OG1-OD1 2.85Å
188	E	95.8	Very high	97.3	Very high	43 Å²	43	36.3 Å²	36.3	20%	0.201	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149	-175	-52.5	-179	102.8	0	0	110.8	H160 I186 G192 E230	H160-E188 IonicContact CE1-OE1 2.81Å; H160-E188 IonicContact CG-OE2 3.64Å; H160-E188 IonicContact ND1-OE1 2.68Å; H160-E188 PolarHBondContact ND1-OE1 2.82Å; H160-E188 VanDerWaalsContact ND1-OE1 3.09Å; H160-E188 IonicContact ND1-OE2 3.95Å; H160-E188 PolarHBondContact ND1-OE2 3.19Å; I186-E188 HydrophobicContact CD1-CG 3.69Å; I186-E188 HydrophobicContact CG1-CG 3.69Å; E188-G192 WeakPolarHBondContact O-CA 3.35Å; E188-G192 PolarHBondContact O-N 2.92Å; E188-E230 HydrophobicContact CB-CB 4.48Å; E188-E230 HydrophobicContact CG-CB 4.16Å
189	W	94.8	Very high	97.3	Very high	202 Å²	202	36.6 Å²	36.6	77%	0.765	20%	0.204	S	C	*	.	H	α-helix	trans	60.7	-157.9	169.8	-42.7	108.4	0	0	0	114	A193 E230 N231	W189-A193 PolarHBondContact O-N 3.45Å; W189-A193 VanDerWaalsContact O-N 3.12Å; W189-E230 PolarHBondContact N-O 2.87Å; W189-N231 WeakPolarHBondContact O-CB 3.35Å
190	T	93.9	Very high	97.4	Very high	117 Å²	117	36.7 Å²	36.7	72%	0.718	21%	0.205	S	C	*	.	H	α-helix	trans	-64.2	-40.6	-176.8	-49.8	0	0	0	0	112.5	A193 A194	T190-A193 WeakPolarHBondContact O-CB 3.27Å; T190-A193 PolarHBondContact O-N 2.83Å; T190-A194 PolarHBondContact O-N 2.93Å
191	D	93.9	Very high	97.4	Very high	133 Å²	133	43.1 Å²	43.1	71%	0.711	23%	0.232	S	C	*	.	H	α-helix	trans	-70.1	-39.5	-178.7	-66.4	-14.9	0	0	0	110.8	A193 A194 V195	D191-A193 VanDerWaalsContact C-N 3.32Å; D191-A193 PolarHBondContact O-N 3.45Å; D191-A194 PolarHBondContact O-N 3.44Å; D191-V195 WeakPolarHBondContact O-CG2 3.42Å; D191-V195 PolarHBondContact O-N 3.13Å
192	G	96.1	Very high	97.4	Very high	4 Å²	4	45.5 Å²	45.5	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-39.6	172.4	0	0	0	0	0	113	E188 V195 C196 N231	E188-G192 WeakPolarHBondContact O-CA 3.35Å; E188-G192 PolarHBondContact O-N 2.92Å; G192-V195 PolarHBondContact O-N 2.92Å; G192-C196 PolarHBondContact O-N 3.08Å; G192-C196 PolarHBondContact O-SG 2.71Å; G192-N231 VanDerWaalsContact C-OD1 3.25Å
193	A	96.9	Very high	97.3	Very high	25 Å²	25	50.2 Å²	50.2	21%	0.207	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-48.1	174.4	0	0	0	0	0	111.7	W189 T190 D191 V195 C196 E197 N231	W189-A193 PolarHBondContact O-N 3.45Å; W189-A193 VanDerWaalsContact O-N 3.12Å; T190-A193 WeakPolarHBondContact O-CB 3.27Å; T190-A193 PolarHBondContact O-N 2.83Å; D191-A193 VanDerWaalsContact C-N 3.32Å; D191-A193 PolarHBondContact O-N 3.45Å; A193-V195 VanDerWaalsContact C-N 3.31Å; A193-V195 PolarHBondContact O-N 3.18Å; A193-C196 WeakPolarHBondContact O-CB 3.22Å; A193-C196 PolarHBondContact O-N 3.03Å; A193-E197 WeakPolarHBondContact O-CG 3.31Å; A193-E197 PolarHBondContact O-N 3.1Å; A193-N231 WeakPolarHBondContact CA-ND2 3.5Å; A193-N231 HydrophobicContact CB-CB 4.1Å
194	A	97.1	Very high	97.3	Very high	66 Å²	66	58 Å²	58	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-38.6	178.1	0	0	0	0	0	112.4	T190 D191 A198	T190-A194 PolarHBondContact O-N 2.93Å; D191-A194 PolarHBondContact O-N 3.44Å; A194-A198 PolarHBondContact O-N 3.38Å
195	V	97.3	Very high	97.3	Very high	28 Å²	28	59.6 Å²	59.6	17%	0.17	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-47.6	174.3	169.5	0	0	0	0	110.7	M84 M162 T187 D191 G192 A193 E197 A198 F199	M84-V195 HydrophobicContact CB-CG1 4.22Å; M84-V195 HydrophobicContact CE-CG1 3.45Å; M84-V195 VanDerWaalsContact CE-CG1 3.45Å; M162-V195 HydrophobicContact CE-CB 4.46Å; M162-V195 HydrophobicContact CE-CG1 4.09Å; M162-V195 HydrophobicContact CE-CG2 3.83Å; M162-V195 HydrophobicContact SD-CG1 4.29Å; T187-V195 HydrophobicContact CG2-CG1 4.27Å; D191-V195 WeakPolarHBondContact O-CG2 3.42Å; D191-V195 PolarHBondContact O-N 3.13Å; G192-V195 PolarHBondContact O-N 2.92Å; A193-V195 VanDerWaalsContact C-N 3.31Å; A193-V195 PolarHBondContact O-N 3.18Å; V195-E197 PolarHBondContact O-N 2.83Å; V195-A198 WeakPolarHBondContact O-CB 3.16Å; V195-A198 PolarHBondContact O-N 3.05Å; V195-A198 VanDerWaalsContact O-N 3.12Å; V195-F199 HydrophobicContact CG1-CD1 4.11Å; V195-F199 VanDerWaalsContact O-CD1 3.31Å; V195-F199 WeakPolarHBondContact O-CD1 3.43Å; V195-F199 PolarHBondContact O-N 3.09Å
196	C	98.3	Very high	97.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-45.9	177.9	-70.2	0	0	0	0	112.5	T187 G192 A193 A198 F199 L200 N231 L233	T187-C196 PolarHBondContact OG1-SG 3.26Å; G192-C196 PolarHBondContact O-N 3.08Å; G192-C196 PolarHBondContact O-SG 2.71Å; A193-C196 WeakPolarHBondContact O-CB 3.22Å; A193-C196 PolarHBondContact O-N 3.03Å; C196-A198 PolarHBondContact O-N 3.43Å; C196-F199 HydrophobicContact CB-CE1 4.21Å; C196-F199 PolarHBondContact O-N 3.01Å; C196-L200 HydrophobicContact CB-CD1 4.27Å; C196-L200 VanDerWaalsContact O-CB 3.22Å; C196-L200 WeakPolarHBondContact O-CB 3.25Å; C196-L200 PolarHBondContact O-N 2.75Å; C196-N231 PolarHBondContact SG-ND2 3.38Å; C196-L233 HydrophobicContact CB-CD2 3.33Å
197	E	97.9	Very high	97.3	Very high	71 Å²	71	64.3 Å²	64.3	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-32.7	176.9	-67.6	-53.1	136.9	0	0	112.6	A193 V195 K201 S234	A193-E197 WeakPolarHBondContact O-CG 3.31Å; A193-E197 PolarHBondContact O-N 3.1Å; V195-E197 PolarHBondContact O-N 2.83Å; E197-K201 WeakPolarHBondContact O-CB 3.49Å; E197-S234 VanDerWaalsContact CD-OG 3.27Å; E197-S234 VanDerWaalsContact OE1-CB 3.23Å; E197-S234 WeakPolarHBondContact OE1-CB 3.38Å; E197-S234 PolarHBondContact OE1-N 2.73Å; E197-S234 PolarHBondContact OE1-OG 3.29Å; E197-S234 WeakPolarHBondContact OE2-CB 3.22Å; E197-S234 PolarHBondContact OE2-OG 2.87Å
198	A	97.6	Very high	97.4	Very high	60 Å²	60	66.1 Å²	66.1	50%	0.496	35%	0.347	S	S	.	.	H	α-helix	trans	-76.2	-51.5	177.8	0	0	0	0	0	112.1	A194 V195 C196 K201	A194-A198 PolarHBondContact O-N 3.38Å; V195-A198 WeakPolarHBondContact O-CB 3.16Å; V195-A198 PolarHBondContact O-N 3.05Å; V195-A198 VanDerWaalsContact O-N 3.12Å; C196-A198 PolarHBondContact O-N 3.43Å; A198-K201 VanDerWaalsContact O-CB 3.26Å; A198-K201 WeakPolarHBondContact O-CB 3.32Å; A198-K201 PolarHBondContact O-N 3.35Å
199	F	98.1	Very high	97.5	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-80.6	-26.1	-173.2	90.6	-96.9	0	0	0	113.5	M84 F185 V195 C196 K201 S205 Y206 V209 F244	M84-F199 HydrophobicContact CE-CB 4.04Å; M84-F199 HydrophobicContact CE-CD1 3.79Å; M84-F199 HydrophobicContact CE-CG 4.03Å; F185-F199 HydrophobicContact CE1-CE1 4.13Å; F185-F199 HydrophobicContact CE1-CE2 4.47Å; F185-F199 AromaticContact CE1-CZ 3.83Å; F185-F199 HydrophobicContact CE1-CZ 3.83Å; F185-F199 HydrophobicContact CZ-CE1 4.1Å; F185-F199 HydrophobicContact CZ-CZ 4.18Å; V195-F199 HydrophobicContact CG1-CD1 4.11Å; V195-F199 VanDerWaalsContact O-CD1 3.31Å; V195-F199 WeakPolarHBondContact O-CD1 3.43Å; V195-F199 PolarHBondContact O-N 3.09Å; C196-F199 HydrophobicContact CB-CE1 4.21Å; C196-F199 PolarHBondContact O-N 3.01Å; F199-K201 VanDerWaalsContact C-N 3.3Å; F199-S205 CarbonylContact O-C 3.47Å; F199-S205 VanDerWaalsContact O-C 3.26Å; F199-S205 VanDerWaalsContact O-CB 3.28Å; F199-S205 WeakPolarHBondContact O-CB 3.31Å; F199-Y206 VanDerWaalsContact O-CA 3.22Å; F199-Y206 WeakPolarHBondContact O-CA 3.05Å; F199-Y206 WeakPolarHBondContact O-CB 3.05Å; F199-Y206 PolarHBondContact O-N 3.17Å; F199-V209 HydrophobicContact CB-CG2 3.67Å; F199-V209 HydrophobicContact CD2-CB 4.18Å; F199-V209 HydrophobicContact CD2-CG1 4.21Å; F199-V209 HydrophobicContact CD2-CG2 4.07Å; F199-V209 HydrophobicContact CG-CG2 4.08Å; F199-F244 HydrophobicContact CE2-CD1 4.16Å; F199-F244 HydrophobicContact CE2-CD2 4.14Å; F199-F244 HydrophobicContact CE2-CE1 4.19Å; F199-F244 HydrophobicContact CE2-CE2 4.15Å; F199-F244 HydrophobicContact CE2-CG 4.13Å; F199-F244 HydrophobicContact CE2-CZ 4.17Å
200	L	98.6	Very high	97.7	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	14.5	174.5	-61.5	171.2	0	0	0	112.6	C196 L233 A237 N240 A241 F244	C196-L200 HydrophobicContact CB-CD1 4.27Å; C196-L200 VanDerWaalsContact O-CB 3.22Å; C196-L200 WeakPolarHBondContact O-CB 3.25Å; C196-L200 PolarHBondContact O-N 2.75Å; L200-L233 HydrophobicContact CD1-CD1 4.23Å; L200-L233 HydrophobicContact CD1-CD2 4.25Å; L200-A237 HydrophobicContact CB-CB 3.91Å; L200-A237 HydrophobicContact CD1-CB 4.22Å; L200-N240 HydrophobicContact CB-CB 4.31Å; L200-N240 VanDerWaalsContact O-CB 3.32Å; L200-N240 WeakPolarHBondContact O-CB 2.92Å; L200-N240 PolarHBondContact O-ND2 3.08Å; L200-A241 HydrophobicContact CD1-CB 4.03Å; L200-A241 HydrophobicContact CD2-CB 4.37Å; L200-F244 HydrophobicContact CD2-CB 3.84Å; L200-F244 HydrophobicContact CD2-CG 4.22Å
201	K	97.9	Very high	97.9	Very high	142 Å²	142	51.4 Å²	51.4	62%	0.617	28%	0.28	S	S	*	.	S	Bend	trans	-64.3	-47	-178.2	-179.3	-175.2	161.6	-115.2	0	112.8	E197 A198 F199 N240	E197-K201 WeakPolarHBondContact O-CB 3.49Å; A198-K201 VanDerWaalsContact O-CB 3.26Å; A198-K201 WeakPolarHBondContact O-CB 3.32Å; A198-K201 PolarHBondContact O-N 3.35Å; F199-K201 VanDerWaalsContact C-N 3.3Å; K201-N240 PolarHBondContact O-ND2 3.2Å
202	D	98.4	Very high	98.2	Very high	49 Å²	49	46.9 Å²	46.9	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-154.1	170.5	-174.3	52	49.9	0	0	0	110.8	E204 S205 Y206	D202-E204 PolarHBondContact O-N 2.84Å; D202-S205 PolarHBondContact O-N 2.92Å; D202-S205 VanDerWaalsContact OD1-CB 3.3Å; D202-S205 WeakPolarHBondContact OD1-CB 3.33Å; D202-S205 PolarHBondContact OD1-N 3.28Å; D202-S205 PolarHBondContact OD1-OG 2.78Å; D202-Y206 WeakPolarHBondContact O-CD1 3.29Å; D202-Y206 PolarHBondContact O-N 3.35Å; D202-Y206 VanDerWaalsContact O-N 3.16Å
203	E	98.6	Very high	98.3	Very high	100 Å²	100	46.7 Å²	46.7	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-39.6	-175.4	174.2	168.8	-164.2	0	0	114.3	S205 Y206 R207	E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.47Å; E203-Y206 HydrophobicContact CB-CE1 3.95Å; E203-Y206 HydrophobicContact CG-CE1 4.43Å; E203-Y206 HydrophobicContact CG-CE2 4.29Å; E203-Y206 WeakPolarHBondContact CG-OH 3.35Å; E203-R207 HydrophobicContact CG-CG 4.29Å; E203-R207 VanDerWaalsContact CG-NE 3.3Å; E203-R207 VanDerWaalsContact O-CB 3.28Å; E203-R207 WeakPolarHBondContact O-CB 3.37Å; E203-R207 WeakPolarHBondContact O-CG 3.23Å; E203-R207 PolarHBondContact O-N 2.8Å; E203-R207 VanDerWaalsContact O-N 3.11Å; E203-R207 IonicContact OE1-CZ 2.67Å; E203-R207 IonicContact OE1-NE 2.64Å; E203-R207 PolarHBondContact OE1-NE 3.04Å; E203-R207 IonicContact OE1-NH2 3.09Å; E203-R207 PolarHBondContact OE1-NH2 3.29Å
204	E	98.6	Very high	98.4	Very high	164 Å²	164	46 Å²	46	77%	0.766	25%	0.245	S	C	*	.	H	α-helix	trans	-61.8	-43.6	176.6	-174.2	176.8	-176.2	0	0	110.9	D202 A208	D202-E204 PolarHBondContact O-N 2.84Å; E204-A208 WeakPolarHBondContact O-CB 3.45Å; E204-A208 PolarHBondContact O-N 2.84Å
205	S	98.5	Very high	98.5	Very high	33 Å²	33	46.5 Å²	46.5	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-48.1	-177.5	-58	0	0	0	0	112.5	F199 D202 E203 A208 V209	F199-S205 CarbonylContact O-C 3.47Å; F199-S205 VanDerWaalsContact O-C 3.26Å; F199-S205 VanDerWaalsContact O-CB 3.28Å; F199-S205 WeakPolarHBondContact O-CB 3.31Å; D202-S205 PolarHBondContact O-N 2.92Å; D202-S205 VanDerWaalsContact OD1-CB 3.3Å; D202-S205 WeakPolarHBondContact OD1-CB 3.33Å; D202-S205 PolarHBondContact OD1-N 3.28Å; D202-S205 PolarHBondContact OD1-OG 2.78Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.47Å; S205-A208 PolarHBondContact O-N 3.31Å; S205-V209 PolarHBondContact O-N 2.99Å
206	Y	98.7	Very high	98.5	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-74	-32.3	-177	69.6	-119.2	0	0	0	112.1	F199 D202 E203 A208 V209 A210 N240 L243 F244	F199-Y206 VanDerWaalsContact O-CA 3.22Å; F199-Y206 WeakPolarHBondContact O-CA 3.05Å; F199-Y206 WeakPolarHBondContact O-CB 3.05Å; F199-Y206 PolarHBondContact O-N 3.17Å; D202-Y206 WeakPolarHBondContact O-CD1 3.29Å; D202-Y206 PolarHBondContact O-N 3.35Å; D202-Y206 VanDerWaalsContact O-N 3.16Å; E203-Y206 HydrophobicContact CB-CE1 3.95Å; E203-Y206 HydrophobicContact CG-CE1 4.43Å; E203-Y206 HydrophobicContact CG-CE2 4.29Å; E203-Y206 WeakPolarHBondContact CG-OH 3.35Å; Y206-A208 VanDerWaalsContact C-N 3.35Å; Y206-V209 PolarHBondContact O-N 3.36Å; Y206-A210 WeakPolarHBondContact O-CB 3.47Å; Y206-A210 PolarHBondContact O-N 3.27Å; Y206-N240 HydrophobicContact CD1-CB 4.09Å; Y206-N240 HydrophobicContact CE1-CB 4.24Å; Y206-L243 HydrophobicContact CE1-CB 4.06Å; Y206-L243 HydrophobicContact CE2-CB 4.43Å; Y206-F244 HydrophobicContact CD2-CB 4.11Å; Y206-F244 HydrophobicContact CG-CB 4.04Å; Y206-F244 WeakPolarHBondContact O-CD2 3.46Å
207	R	98.9	Very high	98.5	Very high	90 Å²	90	45.2 Å²	45.2	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-40.6	174.3	-73.3	178.2	176.5	-117.9	3.8	110.9	E203 V209 A210 D211 Y247	E203-R207 HydrophobicContact CG-CG 4.29Å; E203-R207 VanDerWaalsContact CG-NE 3.3Å; E203-R207 VanDerWaalsContact O-CB 3.28Å; E203-R207 WeakPolarHBondContact O-CB 3.37Å; E203-R207 WeakPolarHBondContact O-CG 3.23Å; E203-R207 PolarHBondContact O-N 2.8Å; E203-R207 VanDerWaalsContact O-N 3.11Å; E203-R207 IonicContact OE1-CZ 2.67Å; E203-R207 IonicContact OE1-NE 2.64Å; E203-R207 PolarHBondContact OE1-NE 3.04Å; E203-R207 IonicContact OE1-NH2 3.09Å; E203-R207 PolarHBondContact OE1-NH2 3.29Å; R207-V209 VanDerWaalsContact C-N 3.29Å; R207-V209 PolarHBondContact O-N 2.99Å; R207-A210 PolarHBondContact O-N 3.27Å; R207-D211 VanDerWaalsContact O-CB 3.32Å; R207-D211 WeakPolarHBondContact O-CB 3.44Å; R207-D211 PolarHBondContact O-N 3.2Å; R207-Y247 HydrophobicContact CB-CD1 4.26Å; R207-Y247 HydrophobicContact CB-CE1 3.81Å; R207-Y247 HydrophobicContact CG-CD1 3.8Å; R207-Y247 HydrophobicContact CG-CD2 4.15Å; R207-Y247 HydrophobicContact CG-CE1 3.69Å; R207-Y247 HydrophobicContact CG-CE2 4.05Å; R207-Y247 HydrophobicContact CG-CG 4.02Å
208	A	98.8	Very high	98.6	Very high	39 Å²	39	47 Å²	47	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-39.8	177.2	0	0	0	0	0	112.5	L88 E204 S205 Y206 K212	L88-A208 HydrophobicContact CD2-CB 4.11Å; E204-A208 WeakPolarHBondContact O-CB 3.45Å; E204-A208 PolarHBondContact O-N 2.84Å; S205-A208 PolarHBondContact O-N 3.31Å; Y206-A208 VanDerWaalsContact C-N 3.35Å; A208-K212 WeakPolarHBondContact O-CG 3.49Å; A208-K212 PolarHBondContact O-N 2.92Å
209	V	98.9	Very high	98.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-50.1	174.1	172.1	0	0	0	0	111.3	M84 L87 L88 F185 F199 S205 Y206 R207 D211 K212 L213 F244	M84-V209 HydrophobicContact CE-CG1 4.38Å; M84-V209 HydrophobicContact CE-CG2 3.96Å; M84-V209 HydrophobicContact SD-CG2 3.48Å; M84-V209 WeakPolarHBondContact SD-CG2 3.24Å; L87-V209 HydrophobicContact CD2-CG1 3.84Å; L88-V209 HydrophobicContact CD2-CG2 4.02Å; F185-V209 HydrophobicContact CZ-CG1 4.32Å; F199-V209 HydrophobicContact CB-CG2 3.67Å; F199-V209 HydrophobicContact CD2-CB 4.18Å; F199-V209 HydrophobicContact CD2-CG1 4.21Å; F199-V209 HydrophobicContact CD2-CG2 4.07Å; F199-V209 HydrophobicContact CG-CG2 4.08Å; S205-V209 PolarHBondContact O-N 2.99Å; Y206-V209 PolarHBondContact O-N 3.36Å; R207-V209 VanDerWaalsContact C-N 3.29Å; R207-V209 PolarHBondContact O-N 2.99Å; V209-D211 VanDerWaalsContact C-N 3.34Å; V209-D211 PolarHBondContact O-N 3.21Å; V209-K212 PolarHBondContact O-N 3.02Å; V209-K212 VanDerWaalsContact O-N 3.14Å; V209-L213 HydrophobicContact CG1-CD1 4.31Å; V209-L213 PolarHBondContact O-N 3.49Å; V209-L213 VanDerWaalsContact O-N 3.09Å; V209-F244 HydrophobicContact CB-CE2 4.33Å; V209-F244 HydrophobicContact CG1-CE2 3.96Å; V209-F244 HydrophobicContact CG1-CZ 4.28Å
210	A	98.9	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-45	179.9	0	0	0	0	0	112	Y206 R207 K212 L213 V214 F244 Y247 L248	Y206-A210 WeakPolarHBondContact O-CB 3.47Å; Y206-A210 PolarHBondContact O-N 3.27Å; R207-A210 PolarHBondContact O-N 3.27Å; A210-K212 PolarHBondContact O-N 3.22Å; A210-L213 PolarHBondContact O-N 2.67Å; A210-L213 VanDerWaalsContact O-N 3.15Å; A210-V214 VanDerWaalsContact O-CG2 3.28Å; A210-V214 WeakPolarHBondContact O-CG2 3.23Å; A210-V214 PolarHBondContact O-N 3.41Å; A210-F244 HydrophobicContact CB-CD2 4.06Å; A210-F244 HydrophobicContact CB-CE2 3.77Å; A210-Y247 HydrophobicContact CB-CD1 3.55Å; A210-Y247 HydrophobicContact CB-CE1 3.84Å; A210-L248 HydrophobicContact CB-CB 4.05Å; A210-L248 HydrophobicContact CB-CD1 4.14Å
211	D	98.8	Very high	98.5	Very high	52 Å²	52	47.7 Å²	47.7	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-59.1	-36.8	178.3	-72.9	-14.5	0	0	0	111.6	R207 V209 Q215 Y247	R207-D211 VanDerWaalsContact O-CB 3.32Å; R207-D211 WeakPolarHBondContact O-CB 3.44Å; R207-D211 PolarHBondContact O-N 3.2Å; V209-D211 VanDerWaalsContact C-N 3.34Å; V209-D211 PolarHBondContact O-N 3.21Å; D211-Q215 WeakPolarHBondContact O-CB 3.16Å; D211-Q215 WeakPolarHBondContact O-CG 2.97Å; D211-Q215 PolarHBondContact O-N 2.85Å; D211-Q215 PolarHBondContact O-NE2 3.28Å; D211-Y247 VanDerWaalsContact OD1-CE1 3.22Å; D211-Y247 WeakPolarHBondContact OD1-CE1 3.48Å; D211-Y247 PolarHBondContact OD1-OH 3.38Å
212	K	98.8	Very high	98.6	Very high	39 Å²	39	41 Å²	41	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-42.4	176.2	-70.1	-70.4	170.9	-163.8	0	112.3	L87 L88 W90 A208 V209 A210 V214 Q215 I216	L87-K212 HydrophobicContact CD1-CB 3.58Å; L87-K212 HydrophobicContact CG-CB 4Å; L87-K212 WeakPolarHBondContact O-CD 3.47Å; L87-K212 WeakPolarHBondContact O-CG 3.42Å; L88-K212 WeakPolarHBondContact O-CE 3.31Å; W90-K212 HydrophobicContact CE3-CD 4.42Å; W90-K212 WeakPolarHBondContact O-CE 3.42Å; W90-K212 PolarHBondContact O-NZ 2.7Å; A208-K212 WeakPolarHBondContact O-CG 3.49Å; A208-K212 PolarHBondContact O-N 2.92Å; V209-K212 PolarHBondContact O-N 3.02Å; V209-K212 VanDerWaalsContact O-N 3.14Å; A210-K212 PolarHBondContact O-N 3.22Å; K212-V214 VanDerWaalsContact C-N 3.3Å; K212-V214 PolarHBondContact O-N 3.23Å; K212-Q215 VanDerWaalsContact NZ-OE1 3.13Å; K212-Q215 PolarHBondContact O-N 2.88Å; K212-I216 WeakPolarHBondContact O-CB 3.36Å; K212-I216 VanDerWaalsContact O-CG1 3.24Å; K212-I216 WeakPolarHBondContact O-CG1 3.21Å; K212-I216 PolarHBondContact O-N 2.83Å
213	L	98.9	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-41.5	174.2	-65	176.8	0	0	0	111.3	L87 V163 F185 V209 A210 S217 W225 F244 L248	L87-L213 HydrophobicContact CD1-CD2 4.05Å; L87-L213 HydrophobicContact CD2-CD2 4.16Å; L87-L213 HydrophobicContact CD2-CG 4.44Å; V163-L213 HydrophobicContact CG1-CD2 3.95Å; V163-L213 HydrophobicContact CG2-CD2 4.42Å; F185-L213 HydrophobicContact CB-CD1 4.31Å; F185-L213 HydrophobicContact CD2-CD1 4.44Å; F185-L213 HydrophobicContact CD2-CD2 4.33Å; F185-L213 HydrophobicContact CG-CD1 4.18Å; V209-L213 HydrophobicContact CG1-CD1 4.31Å; V209-L213 PolarHBondContact O-N 3.49Å; V209-L213 VanDerWaalsContact O-N 3.09Å; A210-L213 PolarHBondContact O-N 2.67Å; A210-L213 VanDerWaalsContact O-N 3.15Å; L213-S217 WeakPolarHBondContact O-CB 3.47Å; L213-S217 PolarHBondContact O-N 3.25Å; L213-W225 HydrophobicContact CB-CZ2 4.1Å; L213-W225 HydrophobicContact CD2-CD2 4.32Å; L213-W225 HydrophobicContact CD2-CE3 4.38Å; L213-W225 HydrophobicContact CD2-CH2 3.89Å; L213-W225 HydrophobicContact CD2-CZ2 3.8Å; L213-W225 HydrophobicContact CD2-CZ3 4.19Å; L213-W225 WeakPolarHBondContact O-CZ2 3.49Å; L213-W225 PolarHBondContact O-NE1 2.63Å; L213-F244 HydrophobicContact CD1-CZ 4.11Å; L213-L248 HydrophobicContact CB-CD1 4.07Å; L213-L248 HydrophobicContact CD1-CD1 4.49Å; L213-L248 HydrophobicContact CD1-CD2 4.16Å
214	V	98.9	Very high	98.6	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-48.4	174.2	175.5	0	0	0	0	111.2	A210 K212 I216 S217 H218 L248 Q251 M252 R255	A210-V214 VanDerWaalsContact O-CG2 3.28Å; A210-V214 WeakPolarHBondContact O-CG2 3.23Å; A210-V214 PolarHBondContact O-N 3.41Å; K212-V214 VanDerWaalsContact C-N 3.3Å; K212-V214 PolarHBondContact O-N 3.23Å; V214-I216 VanDerWaalsContact C-N 3.33Å; V214-I216 PolarHBondContact O-N 3.32Å; V214-S217 PolarHBondContact O-N 3.41Å; V214-H218 VanDerWaalsContact O-CB 3.24Å; V214-H218 WeakPolarHBondContact O-CB 3.32Å; V214-H218 PolarHBondContact O-N 2.88Å; V214-L248 HydrophobicContact CG2-CD1 3.89Å; V214-Q251 HydrophobicContact CG2-CB 3.73Å; V214-M252 HydrophobicContact CB-SD 4.07Å; V214-M252 HydrophobicContact CG1-SD 4.31Å; V214-M252 HydrophobicContact CG2-CG 3.81Å; V214-M252 HydrophobicContact CG2-SD 3.73Å; V214-R255 HydrophobicContact CG1-CB 3.99Å; V214-R255 HydrophobicContact CG1-CG 4Å
215	Q	98.6	Very high	98.6	Very high	78 Å²	78	26.5 Å²	26.5	36%	0.364	14%	0.137	S	C	.	.	H	α-helix	trans	-61	-41.9	-179.9	-73.5	164.7	30.8	0	0	112.2	W90 D211 K212 Y219	W90-Q215 HydrophobicContact CE3-CB 4.31Å; W90-Q215 HydrophobicContact CH2-CB 4.32Å; W90-Q215 HydrophobicContact CZ3-CB 3.62Å; D211-Q215 WeakPolarHBondContact O-CB 3.16Å; D211-Q215 WeakPolarHBondContact O-CG 2.97Å; D211-Q215 PolarHBondContact O-N 2.85Å; D211-Q215 PolarHBondContact O-NE2 3.28Å; K212-Q215 VanDerWaalsContact NZ-OE1 3.13Å; K212-Q215 PolarHBondContact O-N 2.88Å; Q215-Y219 WeakPolarHBondContact O-CB 3.39Å; Q215-Y219 PolarHBondContact O-N 2.78Å
216	I	98.7	Very high	98.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-49.4	177.9	-71.4	167.7	0	0	0	110.5	L81 L87 W90 V165 K212 V214 Y219 Y220 F222 W225	L81-I216 HydrophobicContact CD1-CD1 3.83Å; L87-I216 HydrophobicContact CD1-CD1 3.55Å; W90-I216 HydrophobicContact CB-CD1 4.38Å; W90-I216 HydrophobicContact CD2-CD1 4.11Å; W90-I216 HydrophobicContact CD2-CG1 3.51Å; W90-I216 HydrophobicContact CE3-CG1 3.87Å; W90-I216 HydrophobicContact CG-CD1 3.97Å; W90-I216 HydrophobicContact CG-CG1 3.91Å; W90-I216 HydrophobicContact CH2-CG1 4.31Å; W90-I216 HydrophobicContact CZ2-CG1 3.99Å; W90-I216 HydrophobicContact CZ3-CG1 4.28Å; V165-I216 HydrophobicContact CG2-CG2 3.7Å; K212-I216 WeakPolarHBondContact O-CB 3.36Å; K212-I216 VanDerWaalsContact O-CG1 3.24Å; K212-I216 WeakPolarHBondContact O-CG1 3.21Å; K212-I216 PolarHBondContact O-N 2.83Å; V214-I216 VanDerWaalsContact C-N 3.33Å; V214-I216 PolarHBondContact O-N 3.32Å; I216-Y219 PolarHBondContact O-N 2.79Å; I216-Y220 HydrophobicContact CG2-CD2 3.8Å; I216-Y220 HydrophobicContact CG2-CE2 4.11Å; I216-Y220 WeakPolarHBondContact O-CD2 3.48Å; I216-Y220 PolarHBondContact O-N 3.02Å; I216-F222 HydrophobicContact CG2-CE1 4.06Å; I216-F222 HydrophobicContact CG2-CZ 4.05Å; I216-W225 HydrophobicContact CB-CZ2 4.4Å; I216-W225 HydrophobicContact CG2-CH2 4.22Å; I216-W225 HydrophobicContact CG2-CZ2 4.13Å
217	S	98.6	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-48.4	179.2	-157.4	0	0	0	0	111.6	L213 V214 Y219 G221 F222 G224 M252	L213-S217 WeakPolarHBondContact O-CB 3.47Å; L213-S217 PolarHBondContact O-N 3.25Å; V214-S217 PolarHBondContact O-N 3.41Å; S217-Y219 PolarHBondContact O-N 3.35Å; S217-G221 WeakPolarHBondContact O-CA 3.27Å; S217-G221 PolarHBondContact O-N 3.06Å; S217-F222 PolarHBondContact O-N 2.91Å; S217-F222 WeakPolarHBondContact OG-CD2 3.42Å; S217-F222 WeakPolarHBondContact OG-CE2 3.35Å; S217-F222 PolarHBondContact OG-O 3Å; S217-G224 PolarHBondContact OG-N 3.22Å; S217-M252 WeakPolarHBondContact OG-CE 3.41Å
218	H	98.2	Very high	98.6	Very high	109 Å²	109	20.5 Å²	20.5	51%	0.505	11%	0.11	S	C	.	.	H	α-helix	trans	-64.2	-40	178.7	175.4	-90.8	0	0	0	112.6	V214 R255 V256	V214-H218 VanDerWaalsContact O-CB 3.24Å; V214-H218 WeakPolarHBondContact O-CB 3.32Å; V214-H218 PolarHBondContact O-N 2.88Å; H218-R255 PolarHBondContact CD2-O 2.89Å; H218-V256 HydrophobicContact CB-CG2 3.97Å
219	Y	98.1	Very high	98.6	Very high	44 Å²	44	18.9 Å²	18.9	17%	0.173	10%	0.096	C	C	.	.	H	α-helix	trans	-72.5	-45.9	-178.6	179.1	-102.6	0	0	0	112.8	W90 R92 A95 V100 Q215 I216 S217 G221	W90-Y219 HydrophobicContact CH2-CD1 4.36Å; W90-Y219 HydrophobicContact CH2-CG 4.21Å; W90-Y219 AromaticContact CZ2-CD1 4Å; W90-Y219 HydrophobicContact CZ2-CD1 4Å; W90-Y219 HydrophobicContact CZ2-CG 4.31Å; R92-Y219 HydrophobicContact CG-CD2 3.71Å; R92-Y219 HydrophobicContact CG-CE2 3.61Å; A95-Y219 HydrophobicContact CB-CD1 3.86Å; A95-Y219 HydrophobicContact CB-CE1 3.33Å; V100-Y219 HydrophobicContact CG2-CD1 4.31Å; V100-Y219 HydrophobicContact CG2-CE1 3.83Å; Q215-Y219 WeakPolarHBondContact O-CB 3.39Å; Q215-Y219 PolarHBondContact O-N 2.78Å; I216-Y219 PolarHBondContact O-N 2.79Å; S217-Y219 PolarHBondContact O-N 3.35Å; Y219-G221 VanDerWaalsContact C-N 3.34Å
220	Y	98.1	Very high	98.6	Very high	12 Å²	12	20.3 Å²	20.3	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-83.1	-13.7	-179.7	-66.3	-54.2	0	0	0	113.3	W90 A95 N99 V100 A101 V165 I216	W90-Y220 HydrophobicContact CZ2-CE2 4.27Å; A95-Y220 HydrophobicContact CB-CE1 4.42Å; N99-Y220 HydrophobicContact CB-CD1 3.93Å; N99-Y220 HydrophobicContact CB-CE1 3.73Å; N99-Y220 WeakPolarHBondContact O-CD1 3.37Å; V100-Y220 HydrophobicContact CG2-CD1 4.07Å; A101-Y220 WeakPolarHBondContact CB-O 3.41Å; A101-Y220 PolarHBondContact N-O 3.11Å; V165-Y220 HydrophobicContact CG1-CD2 3.73Å; V165-Y220 HydrophobicContact CG1-CE2 4.16Å; V165-Y220 HydrophobicContact CG1-CG 4.36Å; I216-Y220 HydrophobicContact CG2-CD2 3.8Å; I216-Y220 HydrophobicContact CG2-CE2 4.11Å; I216-Y220 WeakPolarHBondContact O-CD2 3.48Å; I216-Y220 PolarHBondContact O-N 3.02Å
221	G	97.8	Very high	98.6	Very high	28 Å²	28	20.6 Å²	20.6	29%	0.289	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	37.3	170.1	0	0	0	0	0	114.2	T171 H175 S217 Y219	T171-G221 VanDerWaalsContact CG2-O 3.32Å; T171-G221 WeakPolarHBondContact CG2-O 3.39Å; H175-G221 PolarHBondContact CE1-O 3.15Å; S217-G221 WeakPolarHBondContact O-CA 3.27Å; S217-G221 PolarHBondContact O-N 3.06Å; Y219-G221 VanDerWaalsContact C-N 3.34Å
222	F	98.7	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.			trans	-110.7	172	167.4	67	-85.5	0	0	0	110.5	V165 P166 T171 V181 I216 S217 G224 W225	V165-F222 HydrophobicContact CG1-CE1 3.92Å; P166-F222 HydrophobicContact CG-CB 4.35Å; P166-F222 HydrophobicContact CG-CD1 4.47Å; P166-F222 HydrophobicContact CG-CD2 4.03Å; P166-F222 HydrophobicContact CG-CE2 4.45Å; P166-F222 HydrophobicContact CG-CG 4.04Å; T171-F222 HydrophobicContact CG2-CB 4.12Å; V181-F222 HydrophobicContact CB-CB 4.47Å; V181-F222 HydrophobicContact CG1-CB 4.49Å; I216-F222 HydrophobicContact CG2-CE1 4.06Å; I216-F222 HydrophobicContact CG2-CZ 4.05Å; S217-F222 PolarHBondContact O-N 2.91Å; S217-F222 WeakPolarHBondContact OG-CD2 3.42Å; S217-F222 WeakPolarHBondContact OG-CE2 3.35Å; S217-F222 PolarHBondContact OG-O 3Å; F222-G224 WeakPolarHBondContact CE2-O 3.23Å; F222-W225 HydrophobicContact CE2-CD2 4.28Å; F222-W225 AromaticContact CE2-CE2 3.82Å; F222-W225 AromaticContact CE2-CH2 3.96Å; F222-W225 HydrophobicContact CE2-CH2 3.96Å; F222-W225 AromaticContact CE2-CZ2 3.68Å; F222-W225 HydrophobicContact CE2-CZ2 3.68Å; F222-W225 HydrophobicContact CE2-CZ3 4.36Å; F222-W225 AromaticContact CZ-CH2 3.57Å; F222-W225 HydrophobicContact CZ-CH2 3.57Å; F222-W225 AromaticContact CZ-CZ2 3.38Å; F222-W225 HydrophobicContact CZ-CZ2 3.38Å; F222-W225 HydrophobicContact CZ-CZ3 4.35Å
223	D	98.8	Very high	98.5	Very high	9 Å²	9	21.4 Å²	21.4	5%	0.048	11%	0.11	C	C	.	.			trans	-108.4	11.2	-152.4	-52.1	-57.8	0	0	0	115	H175 I180 V181 S259 L260	H175-D223 IonicContact CD2-OD2 3.59Å; H175-D223 IonicContact CE1-OD1 3.86Å; H175-D223 IonicContact CE1-OD2 2.68Å; H175-D223 IonicContact NE2-OD1 2.66Å; H175-D223 IonicContact NE2-OD2 3.82Å; H175-D223 PolarHBondContact NE2-OD2 2.98Å; I180-D223 VanDerWaalsContact CA-OD2 3.31Å; I180-D223 WeakPolarHBondContact CA-OD2 3.36Å; I180-D223 HydrophobicContact CB-CB 4.48Å; I180-D223 HydrophobicContact CG2-CB 3.58Å; V181-D223 PolarHBondContact N-OD2 3.4Å; V181-D223 WeakPolarHBondContact O-CA 3.36Å; V181-D223 WeakPolarHBondContact O-CB 3.32Å; V181-D223 PolarHBondContact O-N 3.37Å; D223-S259 CarbonylContact O-C 3.21Å; D223-S259 WeakPolarHBondContact O-CA 3.42Å; D223-S259 WeakPolarHBondContact O-CB 3.44Å; D223-L260 PolarHBondContact O-N 2.97Å
224	G	98.7	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.2	-157.4	176.4	0	0	0	0	0	115	L182 G183 S217 F222 L260	L182-G224 WeakPolarHBondContact CA-O 3.12Å; G183-G224 PolarHBondContact N-O 3.13Å; S217-G224 PolarHBondContact OG-N 3.22Å; F222-G224 WeakPolarHBondContact CE2-O 3.23Å; G224-L260 WeakPolarHBondContact CA-O 3.25Å
225	W	98.9	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	132	-161.4	-61	96.4	0	0	0	112.9	V163 T164 G183 F185 L213 I216 F222 I227 L260 I261 L262	V163-W225 HydrophobicContact CG1-CH2 3.55Å; V163-W225 HydrophobicContact CG1-CZ3 3.74Å; T164-W225 WeakPolarHBondContact O-CZ3 3.36Å; G183-W225 CarbonylContact O-C 3.47Å; G183-W225 WeakPolarHBondContact O-CA 3.13Å; F185-W225 HydrophobicContact CB-CE3 4.47Å; L213-W225 HydrophobicContact CB-CZ2 4.1Å; L213-W225 HydrophobicContact CD2-CD2 4.32Å; L213-W225 HydrophobicContact CD2-CE3 4.38Å; L213-W225 HydrophobicContact CD2-CH2 3.89Å; L213-W225 HydrophobicContact CD2-CZ2 3.8Å; L213-W225 HydrophobicContact CD2-CZ3 4.19Å; L213-W225 WeakPolarHBondContact O-CZ2 3.49Å; L213-W225 PolarHBondContact O-NE1 2.63Å; I216-W225 HydrophobicContact CB-CZ2 4.4Å; I216-W225 HydrophobicContact CG2-CH2 4.22Å; I216-W225 HydrophobicContact CG2-CZ2 4.13Å; F222-W225 HydrophobicContact CE2-CD2 4.28Å; F222-W225 AromaticContact CE2-CE2 3.82Å; F222-W225 AromaticContact CE2-CH2 3.96Å; F222-W225 HydrophobicContact CE2-CH2 3.96Å; F222-W225 AromaticContact CE2-CZ2 3.68Å; F222-W225 HydrophobicContact CE2-CZ2 3.68Å; F222-W225 HydrophobicContact CE2-CZ3 4.36Å; F222-W225 AromaticContact CZ-CH2 3.57Å; F222-W225 HydrophobicContact CZ-CH2 3.57Å; F222-W225 AromaticContact CZ-CZ2 3.38Å; F222-W225 HydrophobicContact CZ-CZ2 3.38Å; F222-W225 HydrophobicContact CZ-CZ3 4.35Å; W225-I227 HydrophobicContact CB-CD1 3.81Å; W225-L260 PolarHBondContact N-O 3.46Å; W225-I261 HydrophobicContact CB-CD1 4Å; W225-I261 HydrophobicContact CG-CD1 4.42Å; W225-I261 WeakPolarHBondContact O-CA 3.25Å; W225-L262 PolarHBondContact O-N 2.76Å
226	L	98.9	Very high	98.2	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.1	153.4	178.5	65.6	0	0	0	108.6	N156 F158 G183 T184 F185 L262 F294	N156-L226 WeakPolarHBondContact ND2-CD2 3.46Å; F158-L226 HydrophobicContact CD2-CD2 4.2Å; F158-L226 HydrophobicContact CE2-CD2 4.41Å; G183-L226 PolarHBondContact O-N 3.43Å; T184-L226 CarbonylContact C-O 3.59Å; T184-L226 WeakPolarHBondContact CA-O 3.44Å; F185-L226 PolarHBondContact N-O 3.04Å; L226-L262 HydrophobicContact CD1-CB 3.93Å; L226-F294 HydrophobicContact CD1-CB 4.48Å; L226-F294 HydrophobicContact CD1-CD1 4.03Å; L226-F294 HydrophobicContact CD2-CD1 4.38Å
227	I	98.9	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.6	174.4	-50.8	-56.1	0	0	0	108.5	F185 W225 I229 F244 L245 L248 I261 L262 W263 Y264	F185-I227 HydrophobicContact CB-CD1 3.85Å; F185-I227 HydrophobicContact CD1-CD1 4.28Å; F185-I227 HydrophobicContact CD1-CG2 4.38Å; F185-I227 WeakPolarHBondContact O-CA 3.3Å; W225-I227 HydrophobicContact CB-CD1 3.81Å; I227-I229 HydrophobicContact CG2-CD1 4.33Å; I227-I229 HydrophobicContact CG2-CG1 4.27Å; I227-F244 HydrophobicContact CG2-CE1 4.46Å; I227-L245 HydrophobicContact CB-CD2 4.07Å; I227-L245 HydrophobicContact CG1-CD2 3.79Å; I227-L245 HydrophobicContact CG2-CD2 4.04Å; I227-L248 HydrophobicContact CD1-CD2 3.79Å; I227-L248 HydrophobicContact CG1-CD2 4.34Å; I227-I261 HydrophobicContact CG1-CG2 3.91Å; I227-L262 PolarHBondContact N-O 2.97Å; I227-W263 HydrophobicContact CB-CE3 4.03Å; I227-W263 HydrophobicContact CB-CZ3 4.44Å; I227-W263 HydrophobicContact CG2-CE3 3.78Å; I227-W263 HydrophobicContact CG2-CZ3 3.68Å; I227-Y264 PolarHBondContact O-N 2.92Å
228	N	98.7	Very high	98.2	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.8	-179.4	-169.6	10.9	0	0	0	111.9	F185 I186 T187 E230 Y264	F185-N228 PolarHBondContact O-N 2.9Å; I186-N228 WeakPolarHBondContact CA-O 3.39Å; I186-N228 HydrophobicContact CB-CB 4.33Å; I186-N228 HydrophobicContact CD1-CB 4.32Å; I186-N228 HydrophobicContact CG1-CB 3.99Å; I186-N228 WeakPolarHBondContact CG1-O 3.38Å; T187-N228 PolarHBondContact N-O 2.83Å; N228-E230 WeakPolarHBondContact ND2-CG 3.39Å; N228-E230 PolarHBondContact ND2-OE1 3.38Å; N228-E230 VanDerWaalsContact OD1-CD 3.3Å; N228-E230 VanDerWaalsContact OD1-CG 3.31Å; N228-E230 WeakPolarHBondContact OD1-CG 3.5Å; N228-E230 PolarHBondContact OD1-OE1 3.28Å; N228-E230 VanDerWaalsContact OD1-OE1 3.08Å; N228-Y264 WeakPolarHBondContact OD1-CD1 3.46Å
229	I	98.4	Very high	98.2	Very high	4 Å²	4	29 Å²	29	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	88.2	-177.9	-55.2	-60.4	0	0	0	109.1	F185 T187 I227 N231 L233 W263 S266 V267	F185-I229 HydrophobicContact CE1-CD1 4.37Å; T187-I229 HydrophobicContact CG2-CD1 4.24Å; T187-I229 WeakPolarHBondContact OG1-CD1 3.44Å; I227-I229 HydrophobicContact CG2-CD1 4.33Å; I227-I229 HydrophobicContact CG2-CG1 4.27Å; I229-N231 PolarHBondContact O-N 2.7Å; I229-L233 HydrophobicContact CG2-CD1 4.42Å; I229-L233 HydrophobicContact CG2-CD2 4.12Å; I229-L233 HydrophobicContact CG2-CG 4.38Å; I229-W263 HydrophobicContact CB-CH2 3.9Å; I229-W263 HydrophobicContact CB-CZ3 4.41Å; I229-W263 HydrophobicContact CG1-CH2 3.58Å; I229-W263 HydrophobicContact CG1-CZ3 3.64Å; I229-S266 VanDerWaalsContact O-CB 3.23Å; I229-S266 WeakPolarHBondContact O-CB 3.46Å; I229-S266 PolarHBondContact O-OG 3.1Å; I229-V267 HydrophobicContact CB-CG2 4.45Å; I229-V267 HydrophobicContact CG2-CG1 4.14Å; I229-V267 HydrophobicContact CG2-CG2 4.42Å
230	E	98	Very high	98.2	Very high	32 Å²	32	28.4 Å²	28.4	15%	0.15	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	42.9	-175.9	-60.2	-73.3	-168	0	0	112.1	T187 E188 W189 N228 Y264 W275	T187-E230 WeakPolarHBondContact O-CA 3.33Å; T187-E230 PolarHBondContact O-N 2.78Å; E188-E230 HydrophobicContact CB-CB 4.48Å; E188-E230 HydrophobicContact CG-CB 4.16Å; W189-E230 PolarHBondContact N-O 2.87Å; N228-E230 WeakPolarHBondContact ND2-CG 3.39Å; N228-E230 PolarHBondContact ND2-OE1 3.38Å; N228-E230 VanDerWaalsContact OD1-CD 3.3Å; N228-E230 VanDerWaalsContact OD1-CG 3.31Å; N228-E230 WeakPolarHBondContact OD1-CG 3.5Å; N228-E230 PolarHBondContact OD1-OE1 3.28Å; N228-E230 VanDerWaalsContact OD1-OE1 3.08Å; E230-Y264 WeakPolarHBondContact OE1-CD1 3.37Å; E230-Y264 VanDerWaalsContact OE1-CE1 3.25Å; E230-Y264 WeakPolarHBondContact OE1-CE1 3.49Å; E230-W275 VanDerWaalsContact OE2-CZ2 3.23Å; E230-W275 WeakPolarHBondContact OE2-CZ2 3.47Å; E230-W275 PolarHBondContact OE2-NE1 3.24Å
231	N	98.2	Very high	98.3	Very high	6 Å²	6	28 Å²	28	3%	0.032	16%	0.159	C	C	.	.	S	Bend	trans	-151.6	157.8	176.5	56	-105.2	0	0	0	111.7	T187 W189 G192 A193 C196 I229 V267	T187-N231 VanDerWaalsContact C-OD1 3.28Å; T187-N231 WeakPolarHBondContact CB-OD1 3.4Å; T187-N231 PolarHBondContact O-OD1 2.98Å; T187-N231 PolarHBondContact OG1-OD1 2.85Å; W189-N231 WeakPolarHBondContact O-CB 3.35Å; G192-N231 VanDerWaalsContact C-OD1 3.25Å; A193-N231 WeakPolarHBondContact CA-ND2 3.5Å; A193-N231 HydrophobicContact CB-CB 4.1Å; C196-N231 PolarHBondContact SG-ND2 3.38Å; I229-N231 PolarHBondContact O-N 2.7Å; N231-V267 WeakPolarHBondContact O-CG1 3.22Å
232	N	98.3	Very high	98.3	Very high	93 Å²	93	27.2 Å²	27.2	50%	0.497	15%	0.149	S	C	.	.			trans	-65.6	153.9	173.9	-65.1	-52.2	0	0	0	111.4	G271 K272 L273	N232-G271 CarbonylContact C-O 3.54Å; N232-G271 WeakPolarHBondContact CA-O 3.15Å; N232-K272 WeakPolarHBondContact OD1-CA 3.33Å; N232-L273 PolarHBondContact OD1-N 3.34Å
233	L	98.5	Very high	98.3	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.073	17%	0.167	C	C	.	.			trans	-121.4	147.9	174.5	-60.5	-177.9	0	0	0	110.4	C196 L200 I229 A237 V238 A241 V267 G271	C196-L233 HydrophobicContact CB-CD2 3.33Å; L200-L233 HydrophobicContact CD1-CD1 4.23Å; L200-L233 HydrophobicContact CD1-CD2 4.25Å; I229-L233 HydrophobicContact CG2-CD1 4.42Å; I229-L233 HydrophobicContact CG2-CD2 4.12Å; I229-L233 HydrophobicContact CG2-CG 4.38Å; L233-A237 HydrophobicContact CB-CB 4.13Å; L233-A237 HydrophobicContact CD2-CB 4.29Å; L233-V238 HydrophobicContact CB-CB 4.13Å; L233-V238 HydrophobicContact CD1-CB 4.25Å; L233-V238 HydrophobicContact CD1-CG2 4.43Å; L233-A241 HydrophobicContact CD1-CB 4.32Å; L233-V267 HydrophobicContact CD1-CG1 4.49Å; L233-V267 HydrophobicContact CD1-CG2 3.93Å; L233-V267 HydrophobicContact CG-CG1 4.28Å; L233-G271 PolarHBondContact N-O 3.43Å
234	S	98.1	Very high	98.3	Very high	44 Å²	44	30.5 Å²	30.5	31%	0.308	17%	0.166	S	C	.	.			trans	-69.7	165.8	167.1	77.1	0	0	0	0	111.7	E197 G236 A237 V238	E197-S234 VanDerWaalsContact CD-OG 3.27Å; E197-S234 VanDerWaalsContact OE1-CB 3.23Å; E197-S234 WeakPolarHBondContact OE1-CB 3.38Å; E197-S234 PolarHBondContact OE1-N 2.73Å; E197-S234 PolarHBondContact OE1-OG 3.29Å; E197-S234 WeakPolarHBondContact OE2-CB 3.22Å; E197-S234 PolarHBondContact OE2-OG 2.87Å; S234-G236 PolarHBondContact O-N 2.74Å; S234-G236 PolarHBondContact OG-N 3.39Å; S234-A237 PolarHBondContact O-N 3.1Å; S234-A237 PolarHBondContact OG-N 3.42Å; S234-V238 WeakPolarHBondContact O-CG1 3.33Å; S234-V238 PolarHBondContact O-N 2.75Å
235	E	96.8	Very high	98.3	Very high	137 Å²	137	30.6 Å²	30.6	64%	0.64	17%	0.166	S	C	*	.	H	α-helix	trans	-58.1	-31.4	174.6	-166.5	-169.4	156.4	0	0	112.3	K239	E235-K239 WeakPolarHBondContact O-CD 3.17Å; E235-K239 VanDerWaalsContact O-CG 3.23Å; E235-K239 WeakPolarHBondContact O-CG 3.28Å; E235-K239 WeakPolarHBondContact OE1-CE 3.49Å; E235-K239 IonicContact OE1-NZ 3.49Å; E235-K239 PolarHBondContact OE1-NZ 3.44Å
236	G	95.9	Very high	98.3	Very high	41 Å²	41	34.8 Å²	34.8	42%	0.423	19%	0.186	S	C	.	.	H	α-helix	trans	-71.5	-50.5	175.7	0	0	0	0	0	111.7	S234 K239 N240	S234-G236 PolarHBondContact O-N 2.74Å; S234-G236 PolarHBondContact OG-N 3.39Å; G236-K239 PolarHBondContact O-N 3.23Å; G236-N240 PolarHBondContact O-N 2.96Å
237	A	98.1	Very high	98.3	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-44.5	-177.8	0	0	0	0	0	112.3	L200 L233 S234 K239 N240 A241	L200-A237 HydrophobicContact CB-CB 3.91Å; L200-A237 HydrophobicContact CD1-CB 4.22Å; L233-A237 HydrophobicContact CB-CB 4.13Å; L233-A237 HydrophobicContact CD2-CB 4.29Å; S234-A237 PolarHBondContact O-N 3.1Å; S234-A237 PolarHBondContact OG-N 3.42Å; A237-K239 VanDerWaalsContact C-N 3.28Å; A237-K239 PolarHBondContact O-N 3.47Å; A237-N240 PolarHBondContact O-N 2.73Å; A237-A241 PolarHBondContact O-N 2.95Å
238	V	98.4	Very high	98.3	Very high	9 Å²	9	36 Å²	36	6%	0.055	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-31.4	-179.6	73.6	0	0	0	0	112.7	L233 S234 N240 A241 P242 F286	L233-V238 HydrophobicContact CB-CB 4.13Å; L233-V238 HydrophobicContact CD1-CB 4.25Å; L233-V238 HydrophobicContact CD1-CG2 4.43Å; S234-V238 WeakPolarHBondContact O-CG1 3.33Å; S234-V238 PolarHBondContact O-N 2.75Å; V238-N240 VanDerWaalsContact C-N 3.28Å; V238-N240 PolarHBondContact O-N 3.15Å; V238-A241 PolarHBondContact O-N 3.35Å; V238-P242 WeakPolarHBondContact O-CD 3.19Å; V238-F286 HydrophobicContact CG2-CZ 4.02Å
239	K	98.3	Very high	98.3	Very high	125 Å²	125	36.2 Å²	36.2	54%	0.543	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-31.6	174.4	-76.5	173.1	-173.6	167.9	0	112.6	E235 G236 A237	E235-K239 WeakPolarHBondContact O-CD 3.17Å; E235-K239 VanDerWaalsContact O-CG 3.23Å; E235-K239 WeakPolarHBondContact O-CG 3.28Å; E235-K239 WeakPolarHBondContact OE1-CE 3.49Å; E235-K239 IonicContact OE1-NZ 3.49Å; E235-K239 PolarHBondContact OE1-NZ 3.44Å; G236-K239 PolarHBondContact O-N 3.23Å; A237-K239 VanDerWaalsContact C-N 3.28Å; A237-K239 PolarHBondContact O-N 3.47Å
240	N	98.7	Very high	98.4	Very high	30 Å²	30	40.6 Å²	40.6	16%	0.16	21%	0.213	C	C	.	.	H	α-helix	trans	-90.3	-19.2	-179.2	-71.5	-28.3	0	0	0	113.3	L200 K201 Y206 G236 A237 V238 L243 F244	L200-N240 HydrophobicContact CB-CB 4.31Å; L200-N240 VanDerWaalsContact O-CB 3.32Å; L200-N240 WeakPolarHBondContact O-CB 2.92Å; L200-N240 PolarHBondContact O-ND2 3.08Å; K201-N240 PolarHBondContact O-ND2 3.2Å; Y206-N240 HydrophobicContact CD1-CB 4.09Å; Y206-N240 HydrophobicContact CE1-CB 4.24Å; G236-N240 PolarHBondContact O-N 2.96Å; A237-N240 PolarHBondContact O-N 2.73Å; V238-N240 VanDerWaalsContact C-N 3.28Å; V238-N240 PolarHBondContact O-N 3.15Å; N240-L243 WeakPolarHBondContact O-CB 3.46Å; N240-L243 PolarHBondContact O-N 3.31Å; N240-L243 VanDerWaalsContact O-N 3.11Å; N240-F244 PolarHBondContact O-N 3.38Å
241	A	98.7	Very high	98.4	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-45.8	-179.9	0	0	0	0	0	114	L200 L233 A237 V238 L243 F244 L245 F286	L200-A241 HydrophobicContact CD1-CB 4.03Å; L200-A241 HydrophobicContact CD2-CB 4.37Å; L233-A241 HydrophobicContact CD1-CB 4.32Å; A237-A241 PolarHBondContact O-N 2.95Å; V238-A241 PolarHBondContact O-N 3.35Å; A241-L243 VanDerWaalsContact C-N 3.3Å; A241-L243 PolarHBondContact O-N 2.88Å; A241-F244 WeakPolarHBondContact O-CB 3.48Å; A241-F244 PolarHBondContact O-N 3.2Å; A241-L245 WeakPolarHBondContact O-CG 3.36Å; A241-L245 PolarHBondContact O-N 3.18Å; A241-F286 HydrophobicContact CB-CE1 3.87Å
242	P	98.8	Very high	98.4	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-33.8	173.4	-23.1	33.9	0	0	0	113.4	V238 L245 Q246 I285 F286 A289	V238-P242 WeakPolarHBondContact O-CD 3.19Å; P242-L245 PolarHBondContact O-N 3.13Å; P242-Q246 WeakPolarHBondContact O-CB 3.4Å; P242-Q246 PolarHBondContact O-N 3.13Å; P242-I285 HydrophobicContact CB-CD1 4.46Å; P242-I285 HydrophobicContact CB-CG1 4.03Å; P242-I285 HydrophobicContact CG-CB 4.46Å; P242-I285 HydrophobicContact CG-CD1 3.84Å; P242-I285 HydrophobicContact CG-CG1 3.69Å; P242-I285 HydrophobicContact CG-CG2 4.12Å; P242-F286 HydrophobicContact CG-CD1 3.98Å; P242-F286 HydrophobicContact CG-CE1 3.9Å; P242-A289 HydrophobicContact CB-CB 4.17Å; P242-A289 WeakPolarHBondContact O-CB 3.28Å
243	L	98.8	Very high	98.4	Very high	74 Å²	74	39.8 Å²	39.8	39%	0.387	21%	0.206	S	C	.	.	H	α-helix	trans	-69.2	-39.2	177.2	-59.4	177.4	0	0	0	111.6	Y206 N240 A241 Y247	Y206-L243 HydrophobicContact CE1-CB 4.06Å; Y206-L243 HydrophobicContact CE2-CB 4.43Å; N240-L243 WeakPolarHBondContact O-CB 3.46Å; N240-L243 PolarHBondContact O-N 3.31Å; N240-L243 VanDerWaalsContact O-N 3.11Å; A241-L243 VanDerWaalsContact C-N 3.3Å; A241-L243 PolarHBondContact O-N 2.88Å; L243-Y247 WeakPolarHBondContact O-CB 3.44Å; L243-Y247 PolarHBondContact O-N 2.97Å
244	F	98.9	Very high	98.4	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-49.8	170.9	165.3	-107.4	0	0	0	111.5	F199 L200 Y206 V209 A210 L213 I227 N240 A241 Y247 L248	F199-F244 HydrophobicContact CE2-CD1 4.16Å; F199-F244 HydrophobicContact CE2-CD2 4.14Å; F199-F244 HydrophobicContact CE2-CE1 4.19Å; F199-F244 HydrophobicContact CE2-CE2 4.15Å; F199-F244 HydrophobicContact CE2-CG 4.13Å; F199-F244 HydrophobicContact CE2-CZ 4.17Å; L200-F244 HydrophobicContact CD2-CB 3.84Å; L200-F244 HydrophobicContact CD2-CG 4.22Å; Y206-F244 HydrophobicContact CD2-CB 4.11Å; Y206-F244 HydrophobicContact CG-CB 4.04Å; Y206-F244 WeakPolarHBondContact O-CD2 3.46Å; V209-F244 HydrophobicContact CB-CE2 4.33Å; V209-F244 HydrophobicContact CG1-CE2 3.96Å; V209-F244 HydrophobicContact CG1-CZ 4.28Å; A210-F244 HydrophobicContact CB-CD2 4.06Å; A210-F244 HydrophobicContact CB-CE2 3.77Å; L213-F244 HydrophobicContact CD1-CZ 4.11Å; I227-F244 HydrophobicContact CG2-CE1 4.46Å; N240-F244 PolarHBondContact O-N 3.38Å; A241-F244 WeakPolarHBondContact O-CB 3.48Å; A241-F244 PolarHBondContact O-N 3.2Å; F244-Y247 PolarHBondContact O-N 3.33Å; F244-L248 HydrophobicContact CE1-CD2 4.38Å; F244-L248 HydrophobicContact CZ-CD2 4.03Å; F244-L248 VanDerWaalsContact O-CB 3.29Å; F244-L248 WeakPolarHBondContact O-CB 3.32Å; F244-L248 PolarHBondContact O-N 2.91Å
245	L	98.9	Very high	98.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-49.1	178.3	-71.5	174.6	0	0	0	111.5	I227 A241 P242 Y247 L248 T249 I261 W263 F286 A289	I227-L245 HydrophobicContact CB-CD2 4.07Å; I227-L245 HydrophobicContact CG1-CD2 3.79Å; I227-L245 HydrophobicContact CG2-CD2 4.04Å; A241-L245 WeakPolarHBondContact O-CG 3.36Å; A241-L245 PolarHBondContact O-N 3.18Å; P242-L245 PolarHBondContact O-N 3.13Å; L245-Y247 PolarHBondContact O-N 2.86Å; L245-L248 PolarHBondContact O-N 3.41Å; L245-T249 WeakPolarHBondContact O-CB 3.46Å; L245-T249 PolarHBondContact O-N 3.1Å; L245-T249 PolarHBondContact O-OG1 3.18Å; L245-I261 HydrophobicContact CD2-CG2 4.38Å; L245-W263 HydrophobicContact CD1-CD2 4.07Å; L245-W263 HydrophobicContact CD1-CE3 3.61Å; L245-W263 HydrophobicContact CD1-CZ3 4.08Å; L245-W263 HydrophobicContact CD2-CE3 3.93Å; L245-W263 HydrophobicContact CD2-CZ3 4.39Å; L245-W263 HydrophobicContact CG-CE3 4.3Å; L245-F286 HydrophobicContact CD1-CB 3.92Å; L245-F286 HydrophobicContact CD1-CD1 3.93Å; L245-F286 HydrophobicContact CD1-CG 4.41Å; L245-A289 CarbonylContact C-O 3.48Å; L245-A289 HydrophobicContact CB-CB 3.92Å
246	Q	98.9	Very high	98.4	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-49.4	179.3	-177.8	-179.3	1	0	0	111.2	P242 L248 T249 E250 A289	P242-Q246 WeakPolarHBondContact O-CB 3.4Å; P242-Q246 PolarHBondContact O-N 3.13Å; Q246-L248 PolarHBondContact O-N 3.02Å; Q246-T249 PolarHBondContact O-N 3.14Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.33Å; Q246-E250 PolarHBondContact NE2-OE1 2.9Å; Q246-E250 WeakPolarHBondContact O-CB 3.3Å; Q246-E250 WeakPolarHBondContact O-CG 3.43Å; Q246-E250 PolarHBondContact O-N 3.5Å; Q246-A289 VanDerWaalsContact CA-O 3.25Å; Q246-A289 WeakPolarHBondContact CA-O 3.46Å; Q246-A289 HydrophobicContact CB-CB 4.33Å; Q246-A289 PolarHBondContact N-O 2.78Å
247	Y	98.9	Very high	98.1	Very high	27 Å²	27	45.9 Å²	45.9	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-44.8	179.1	179.8	-98.4	0	0	0	111.7	R207 A210 D211 L243 F244 L245 T249 E250 Q251	R207-Y247 HydrophobicContact CB-CD1 4.26Å; R207-Y247 HydrophobicContact CB-CE1 3.81Å; R207-Y247 HydrophobicContact CG-CD1 3.8Å; R207-Y247 HydrophobicContact CG-CD2 4.15Å; R207-Y247 HydrophobicContact CG-CE1 3.69Å; R207-Y247 HydrophobicContact CG-CE2 4.05Å; R207-Y247 HydrophobicContact CG-CG 4.02Å; A210-Y247 HydrophobicContact CB-CD1 3.55Å; A210-Y247 HydrophobicContact CB-CE1 3.84Å; D211-Y247 VanDerWaalsContact OD1-CE1 3.22Å; D211-Y247 WeakPolarHBondContact OD1-CE1 3.48Å; D211-Y247 PolarHBondContact OD1-OH 3.38Å; L243-Y247 WeakPolarHBondContact O-CB 3.44Å; L243-Y247 PolarHBondContact O-N 2.97Å; F244-Y247 PolarHBondContact O-N 3.33Å; L245-Y247 PolarHBondContact O-N 2.86Å; Y247-T249 PolarHBondContact O-N 2.87Å; Y247-E250 PolarHBondContact O-N 2.92Å; Y247-Q251 HydrophobicContact CD1-CG 4.15Å; Y247-Q251 HydrophobicContact CD2-CG 4.14Å; Y247-Q251 HydrophobicContact CE1-CG 3.72Å; Y247-Q251 HydrophobicContact CE2-CG 3.69Å; Y247-Q251 HydrophobicContact CG-CG 4.36Å; Y247-Q251 VanDerWaalsContact CZ-CG 3.48Å; Y247-Q251 WeakPolarHBondContact O-CB 3.27Å; Y247-Q251 VanDerWaalsContact O-CG 3.3Å; Y247-Q251 WeakPolarHBondContact O-CG 3.39Å; Y247-Q251 PolarHBondContact O-N 2.79Å
248	L	98.9	Very high	97.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-47	176.6	176.8	61.1	0	0	0	111.4	A210 L213 V214 I227 F244 L245 Q246 Q251 M252 I261	A210-L248 HydrophobicContact CB-CB 4.05Å; A210-L248 HydrophobicContact CB-CD1 4.14Å; L213-L248 HydrophobicContact CB-CD1 4.07Å; L213-L248 HydrophobicContact CD1-CD1 4.49Å; L213-L248 HydrophobicContact CD1-CD2 4.16Å; V214-L248 HydrophobicContact CG2-CD1 3.89Å; I227-L248 HydrophobicContact CD1-CD2 3.79Å; I227-L248 HydrophobicContact CG1-CD2 4.34Å; F244-L248 HydrophobicContact CE1-CD2 4.38Å; F244-L248 HydrophobicContact CZ-CD2 4.03Å; F244-L248 VanDerWaalsContact O-CB 3.29Å; F244-L248 WeakPolarHBondContact O-CB 3.32Å; F244-L248 PolarHBondContact O-N 2.91Å; L245-L248 PolarHBondContact O-N 3.41Å; Q246-L248 PolarHBondContact O-N 3.02Å; L248-Q251 PolarHBondContact O-N 2.82Å; L248-M252 HydrophobicContact CD1-CG 3.83Å; L248-M252 HydrophobicContact CG-CG 4.32Å; L248-M252 WeakPolarHBondContact O-CB 3.32Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.31Å; L248-M252 PolarHBondContact O-N 2.94Å; L248-I261 HydrophobicContact CD2-CD1 4.2Å; L248-I261 HydrophobicContact CD2-CG2 4.17Å; L248-I261 HydrophobicContact CG-CD1 4.05Å; L248-I261 HydrophobicContact CG-CG1 4.26Å
249	T	98.9	Very high	97.8	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-47.4	177.4	-69.6	0	0	0	0	111.8	L245 Q246 Y247 M252 H253 I261	L245-T249 WeakPolarHBondContact O-CB 3.46Å; L245-T249 PolarHBondContact O-N 3.1Å; L245-T249 PolarHBondContact O-OG1 3.18Å; Q246-T249 PolarHBondContact O-N 3.14Å; Y247-T249 PolarHBondContact O-N 2.87Å; T249-M252 PolarHBondContact O-N 3.01Å; T249-H253 PolarHBondContact O-N 2.81Å; T249-H253 PolarHBondContact O-ND1 3.11Å; T249-I261 WeakPolarHBondContact OG1-CB 3.42Å; T249-I261 WeakPolarHBondContact OG1-CG1 3.13Å
250	E	98.8	Very high	97.8	Very high	96 Å²	96	44.1 Å²	44.1	45%	0.449	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-47.1	178.7	-72.6	172.7	-171.5	0	0	111.9	Q246 Y247 H253 E254	Q246-E250 WeakPolarHBondContact CG-OE1 3.33Å; Q246-E250 PolarHBondContact NE2-OE1 2.9Å; Q246-E250 WeakPolarHBondContact O-CB 3.3Å; Q246-E250 WeakPolarHBondContact O-CG 3.43Å; Q246-E250 PolarHBondContact O-N 3.5Å; Y247-E250 PolarHBondContact O-N 2.92Å; E250-H253 PolarHBondContact O-N 3.26Å; E250-E254 PolarHBondContact O-N 3.42Å; E250-E254 VanDerWaalsContact O-N 3.11Å
251	Q	98.8	Very high	97.8	Very high	36 Å²	36	42.7 Å²	42.7	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-35.8	-179.3	-66.8	-54	-71.3	0	0	112.9	V214 Y247 L248 E254 R255	V214-Q251 HydrophobicContact CG2-CB 3.73Å; Y247-Q251 HydrophobicContact CD1-CG 4.15Å; Y247-Q251 HydrophobicContact CD2-CG 4.14Å; Y247-Q251 HydrophobicContact CE1-CG 3.72Å; Y247-Q251 HydrophobicContact CE2-CG 3.69Å; Y247-Q251 HydrophobicContact CG-CG 4.36Å; Y247-Q251 VanDerWaalsContact CZ-CG 3.48Å; Y247-Q251 WeakPolarHBondContact O-CB 3.27Å; Y247-Q251 VanDerWaalsContact O-CG 3.3Å; Y247-Q251 WeakPolarHBondContact O-CG 3.39Å; Y247-Q251 PolarHBondContact O-N 2.79Å; L248-Q251 PolarHBondContact O-N 2.82Å; Q251-E254 PolarHBondContact O-N 3.18Å; Q251-R255 PolarHBondContact O-N 3.13Å
252	M	98.7	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-47.8	173.9	-80.9	-63.1	-47.1	0	0	111	V214 S217 L248 T249 E254 R255 V256 S259 I261	V214-M252 HydrophobicContact CB-SD 4.07Å; V214-M252 HydrophobicContact CG1-SD 4.31Å; V214-M252 HydrophobicContact CG2-CG 3.81Å; V214-M252 HydrophobicContact CG2-SD 3.73Å; S217-M252 WeakPolarHBondContact OG-CE 3.41Å; L248-M252 HydrophobicContact CD1-CG 3.83Å; L248-M252 HydrophobicContact CG-CG 4.32Å; L248-M252 WeakPolarHBondContact O-CB 3.32Å; L248-M252 VanDerWaalsContact O-CG 3.22Å; L248-M252 WeakPolarHBondContact O-CG 3.31Å; L248-M252 PolarHBondContact O-N 2.94Å; T249-M252 PolarHBondContact O-N 3.01Å; M252-E254 VanDerWaalsContact C-N 3.29Å; M252-E254 PolarHBondContact O-N 3.41Å; M252-R255 PolarHBondContact O-N 2.91Å; M252-V256 HydrophobicContact CE-CB 3.88Å; M252-V256 HydrophobicContact CE-CG1 4.43Å; M252-V256 HydrophobicContact CE-CG2 3.89Å; M252-V256 CarbonylContact O-C 3.39Å; M252-V256 WeakPolarHBondContact O-CA 3.38Å; M252-V256 PolarHBondContact O-N 2.93Å; M252-S259 VanDerWaalsContact C-OG 3.24Å; M252-S259 WeakPolarHBondContact CB-OG 3.48Å; M252-S259 PolarHBondContact O-OG 2.89Å; M252-I261 HydrophobicContact CB-CD1 4.22Å; M252-I261 HydrophobicContact CB-CG1 4.44Å; M252-I261 HydrophobicContact CG-CD1 3.73Å; M252-I261 HydrophobicContact CG-CG1 4.37Å
253	H	98.4	Very high	97.8	Very high	78 Å²	78	42 Å²	42	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-34.3	177.7	-71.9	146.5	0	0	0	113.8	T249 E250 S259 D291	T249-H253 PolarHBondContact O-N 2.81Å; T249-H253 PolarHBondContact O-ND1 3.11Å; E250-H253 PolarHBondContact O-N 3.26Å; H253-S259 PolarHBondContact CD2-OG 3.27Å; H253-S259 PolarHBondContact N-OG 3.17Å; H253-S259 PolarHBondContact NE2-O 3.39Å; H253-D291 IonicContact CE1-OD1 3.66Å; H253-D291 PolarHBondContact CE1-OD1 3.25Å; H253-D291 IonicContact CE1-OD2 3.99Å; H253-D291 IonicContact NE2-OD1 2.92Å; H253-D291 PolarHBondContact NE2-OD1 3.26Å; H253-D291 IonicContact NE2-OD2 2.75Å
254	E	98.2	Very high	97.8	Very high	118 Å²	118	38.7 Å²	38.7	55%	0.551	19%	0.194	S	C	*	.	H	α-helix	trans	-65.2	-40.4	177	-169.7	-168	128.6	0	0	111.7	E250 Q251 M252	E250-E254 PolarHBondContact O-N 3.42Å; E250-E254 VanDerWaalsContact O-N 3.11Å; Q251-E254 PolarHBondContact O-N 3.18Å; M252-E254 VanDerWaalsContact C-N 3.29Å; M252-E254 PolarHBondContact O-N 3.41Å
255	R	97.8	Very high	97.8	Very high	130 Å²	130	38.5 Å²	38.5	49%	0.491	19%	0.193	S	C	.	.	H	α-helix	trans	-99.8	-29.6	-171.4	-63.6	-61.1	173.2	78.8	6.5	114.7	V214 H218 Q251 M252	V214-R255 HydrophobicContact CG1-CB 3.99Å; V214-R255 HydrophobicContact CG1-CG 4Å; H218-R255 PolarHBondContact CD2-O 2.89Å; Q251-R255 PolarHBondContact O-N 3.13Å; M252-R255 PolarHBondContact O-N 2.91Å
256	V	96.9	Very high	97.8	Very high	17 Å²	17	38.5 Å²	38.5	10%	0.103	19%	0.193	C	C	.	.	S	Bend	trans	-126.1	87	-179.3	-174.8	0	0	0	0	107.7	H218 M252 S258 S259	H218-V256 HydrophobicContact CB-CG2 3.97Å; M252-V256 HydrophobicContact CE-CB 3.88Å; M252-V256 HydrophobicContact CE-CG1 4.43Å; M252-V256 HydrophobicContact CE-CG2 3.89Å; M252-V256 CarbonylContact O-C 3.39Å; M252-V256 WeakPolarHBondContact O-CA 3.38Å; M252-V256 PolarHBondContact O-N 2.93Å; V256-S258 PolarHBondContact O-N 3.42Å; V256-S259 VanDerWaalsContact O-CB 3.23Å; V256-S259 WeakPolarHBondContact O-CB 3.31Å; V256-S259 PolarHBondContact O-N 3.01Å; V256-S259 PolarHBondContact O-OG 3.46Å
257	P	89.6	Confident	97.7	Very high	99 Å²	99	34.2 Å²	34.2	64%	0.643	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128	-178.8	-23.9	34.7	0	0	0	110.9
258	S	91.8	Very high	97.7	Very high	80 Å²	80	33.6 Å²	33.6	56%	0.559	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	11.4	-171.9	-34.9	0	0	0	0	115.5	I180 V256	I180-S258 WeakPolarHBondContact CD1-O 3.29Å; V256-S258 PolarHBondContact O-N 3.42Å
259	S	98.1	Very high	97.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	19%	0.194	C	C	.	.			trans	-61.3	161.3	175.4	62.8	0	0	0	0	113.7	D223 M252 H253 V256	D223-S259 CarbonylContact O-C 3.21Å; D223-S259 WeakPolarHBondContact O-CA 3.42Å; D223-S259 WeakPolarHBondContact O-CB 3.44Å; M252-S259 VanDerWaalsContact C-OG 3.24Å; M252-S259 WeakPolarHBondContact CB-OG 3.48Å; M252-S259 PolarHBondContact O-OG 2.89Å; H253-S259 PolarHBondContact CD2-OG 3.27Å; H253-S259 PolarHBondContact N-OG 3.17Å; H253-S259 PolarHBondContact NE2-O 3.39Å; V256-S259 VanDerWaalsContact O-CB 3.23Å; V256-S259 WeakPolarHBondContact O-CB 3.31Å; V256-S259 PolarHBondContact O-N 3.01Å; V256-S259 PolarHBondContact O-OG 3.46Å
260	L	98.6	Very high	97.6	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.089	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.9	170.8	-63.4	175.1	0	0	0	112.3	L112 I154 I180 L182 D223 G224 W225 D291	L112-L260 HydrophobicContact CD2-CD1 3.88Å; I154-L260 HydrophobicContact CD1-CD1 3.43Å; I154-L260 VanDerWaalsContact CD1-CD1 3.43Å; I154-L260 HydrophobicContact CG1-CD1 3.92Å; I180-L260 HydrophobicContact CD1-CD1 3.91Å; I180-L260 HydrophobicContact CD1-CG 4.14Å; I180-L260 HydrophobicContact CG2-CD1 4.12Å; L182-L260 HydrophobicContact CD2-CB 4.09Å; D223-L260 PolarHBondContact O-N 2.97Å; G224-L260 WeakPolarHBondContact CA-O 3.25Å; W225-L260 PolarHBondContact N-O 3.46Å; L260-D291 HydrophobicContact CD2-CB 3.93Å
261	I	98.9	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.9	168.5	-51.1	-56.1	0	0	0	109.5	W225 I227 L245 L248 T249 M252 C290 D291 G292	W225-I261 HydrophobicContact CB-CD1 4Å; W225-I261 HydrophobicContact CG-CD1 4.42Å; W225-I261 WeakPolarHBondContact O-CA 3.25Å; I227-I261 HydrophobicContact CG1-CG2 3.91Å; L245-I261 HydrophobicContact CD2-CG2 4.38Å; L248-I261 HydrophobicContact CD2-CD1 4.2Å; L248-I261 HydrophobicContact CD2-CG2 4.17Å; L248-I261 HydrophobicContact CG-CD1 4.05Å; L248-I261 HydrophobicContact CG-CG1 4.26Å; T249-I261 WeakPolarHBondContact OG1-CB 3.42Å; T249-I261 WeakPolarHBondContact OG1-CG1 3.13Å; M252-I261 HydrophobicContact CB-CD1 4.22Å; M252-I261 HydrophobicContact CB-CG1 4.44Å; M252-I261 HydrophobicContact CG-CD1 3.73Å; M252-I261 HydrophobicContact CG-CG1 4.37Å; I261-C290 HydrophobicContact CB-CB 4.26Å; I261-C290 HydrophobicContact CG2-CB 4.1Å; I261-C290 WeakPolarHBondContact O-CB 3.41Å; I261-D291 PolarHBondContact N-OD2 3.01Å; I261-D291 WeakPolarHBondContact O-CB 3.36Å; I261-D291 PolarHBondContact O-N 3.22Å; I261-G292 PolarHBondContact O-N 3.09Å
262	L	98.9	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.6	-178.7	-54.8	-175.1	0	0	0	109.9	L120 L182 W225 L226 I227 G292 Y321	L120-L262 HydrophobicContact CD1-CD1 3.23Å; L182-L262 HydrophobicContact CD1-CD1 3.57Å; L182-L262 HydrophobicContact CD1-CG 3.94Å; W225-L262 PolarHBondContact O-N 2.76Å; L226-L262 HydrophobicContact CD1-CB 3.93Å; I227-L262 PolarHBondContact N-O 2.97Å; L262-G292 WeakPolarHBondContact CA-O 3.43Å; L262-Y321 HydrophobicContact CD1-CE2 4.46Å; L262-Y321 HydrophobicContact CD2-CE2 3.95Å
263	W	98.9	Very high	97.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.6	173.6	176.5	-99.5	0	0	0	110.8	I227 I229 L245 V267 F286 G292 F293 F294	I227-W263 HydrophobicContact CB-CE3 4.03Å; I227-W263 HydrophobicContact CB-CZ3 4.44Å; I227-W263 HydrophobicContact CG2-CE3 3.78Å; I227-W263 HydrophobicContact CG2-CZ3 3.68Å; I229-W263 HydrophobicContact CB-CH2 3.9Å; I229-W263 HydrophobicContact CB-CZ3 4.41Å; I229-W263 HydrophobicContact CG1-CH2 3.58Å; I229-W263 HydrophobicContact CG1-CZ3 3.64Å; L245-W263 HydrophobicContact CD1-CD2 4.07Å; L245-W263 HydrophobicContact CD1-CE3 3.61Å; L245-W263 HydrophobicContact CD1-CZ3 4.08Å; L245-W263 HydrophobicContact CD2-CE3 3.93Å; L245-W263 HydrophobicContact CD2-CZ3 4.39Å; L245-W263 HydrophobicContact CG-CE3 4.3Å; W263-V267 HydrophobicContact CH2-CG2 3.64Å; W263-V267 HydrophobicContact CZ2-CG2 3.43Å; W263-V267 VanDerWaalsContact CZ2-CG2 3.43Å; W263-F286 HydrophobicContact CB-CB 4.48Å; W263-F286 HydrophobicContact CD2-CB 3.82Å; W263-F286 HydrophobicContact CD2-CD1 4.49Å; W263-F286 HydrophobicContact CD2-CG 4.16Å; W263-F286 AromaticContact CE2-CD2 3.92Å; W263-F286 AromaticContact CE2-CG 3.62Å; W263-F286 HydrophobicContact CG-CB 3.71Å; W263-F286 HydrophobicContact CG-CG 4.49Å; W263-F286 HydrophobicContact CH2-CD1 4.19Å; W263-F286 HydrophobicContact CH2-CE1 4.35Å; W263-F286 HydrophobicContact CZ2-CB 4.41Å; W263-F286 AromaticContact CZ2-CD1 3.93Å; W263-F286 HydrophobicContact CZ2-CD1 3.93Å; W263-F286 HydrophobicContact CZ2-CD2 4.02Å; W263-F286 HydrophobicContact CZ2-CE1 4.18Å; W263-F286 HydrophobicContact CZ2-CE2 4.27Å; W263-F286 AromaticContact CZ2-CG 3.85Å; W263-F286 HydrophobicContact CZ2-CG 3.85Å; W263-F286 HydrophobicContact CZ2-CZ 4.35Å; W263-F286 AromaticContact NE1-CD2 3.7Å; W263-F286 AromaticContact NE1-CG 3.69Å; W263-G292 PolarHBondContact N-O 2.87Å; W263-F293 AromaticContact CD1-CD2 3.77Å; W263-F293 AromaticContact CD1-CE2 3.6Å; W263-F293 WeakPolarHBondContact O-CA 3.43Å; W263-F294 PolarHBondContact O-N 2.62Å
264	Y	98.8	Very high	97.5	Very high	5 Å²	5	45 Å²	45	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.4	172	-169.9	-101.7	0	0	0	111.5	I227 N228 E230 S266 W275 F294 N296 Y297	I227-Y264 PolarHBondContact O-N 2.92Å; N228-Y264 WeakPolarHBondContact OD1-CD1 3.46Å; E230-Y264 WeakPolarHBondContact OE1-CD1 3.37Å; E230-Y264 VanDerWaalsContact OE1-CE1 3.25Å; E230-Y264 WeakPolarHBondContact OE1-CE1 3.49Å; Y264-S266 VanDerWaalsContact C-N 3.31Å; Y264-S266 PolarHBondContact O-N 3.3Å; Y264-S266 PolarHBondContact O-OG 3.16Å; Y264-W275 AromaticContact CE1-CD1 3.8Å; Y264-W275 AromaticContact CE1-NE1 3.87Å; Y264-F294 HydrophobicContact CD2-CB 4.08Å; Y264-F294 AromaticContact CD2-CD1 3.98Å; Y264-F294 HydrophobicContact CD2-CD1 3.98Å; Y264-F294 AromaticContact CD2-CD2 3.97Å; Y264-F294 HydrophobicContact CD2-CD2 3.97Å; Y264-F294 HydrophobicContact CD2-CE1 4.36Å; Y264-F294 HydrophobicContact CD2-CE2 4.3Å; Y264-F294 AromaticContact CD2-CG 3.76Å; Y264-F294 HydrophobicContact CD2-CG 3.76Å; Y264-F294 HydrophobicContact CD2-CZ 4.48Å; Y264-F294 HydrophobicContact CE2-CD1 4.44Å; Y264-F294 AromaticContact CE2-CD2 3.9Å; Y264-F294 HydrophobicContact CE2-CD2 3.9Å; Y264-F294 HydrophobicContact CE2-CE1 4.45Å; Y264-F294 AromaticContact CE2-CE2 3.86Å; Y264-F294 HydrophobicContact CE2-CE2 3.86Å; Y264-F294 HydrophobicContact CE2-CG 4.17Å; Y264-F294 HydrophobicContact CE2-CZ 4.15Å; Y264-N296 PolarHBondContact OH-OD1 3.21Å; Y264-Y297 HydrophobicContact CE2-CE1 4.35Å; Y264-Y297 WeakPolarHBondContact OH-CE2 3.39Å; Y264-Y297 PolarHBondContact OH-OH 2.8Å
265	D	98.6	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-61.5	81.1	179.5	176.1	30	0	0	0	112.7	Q276 N277 N283 F293 F294 N296	D265-Q276 PolarHBondContact OD1-N 3.02Å; D265-Q276 VanDerWaalsContact OD1-N 3.09Å; D265-Q276 PolarHBondContact OD2-N 2.77Å; D265-Q276 VanDerWaalsContact OD2-N 3.11Å; D265-N277 WeakPolarHBondContact OD2-CA 3.44Å; D265-N277 PolarHBondContact OD2-N 2.75Å; D265-N283 PolarHBondContact OD1-ND2 2.83Å; D265-F293 HydrophobicContact CB-CE1 3.71Å; D265-F293 HydrophobicContact CB-CE2 4.32Å; D265-F293 HydrophobicContact CB-CZ 3.42Å; D265-F293 VanDerWaalsContact CB-CZ 3.42Å; D265-F294 WeakPolarHBondContact CB-O 3.45Å; D265-F294 PolarHBondContact N-O 3.23Å; D265-N296 HydrophobicContact CB-CB 4.43Å; D265-N296 PolarHBondContact OD2-N 2.84Å
266	S	97.4	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.			trans	-124.2	-91.2	-169.7	51.6	0	0	0	0	111.3	I229 Y264 K274	I229-S266 VanDerWaalsContact O-CB 3.23Å; I229-S266 WeakPolarHBondContact O-CB 3.46Å; I229-S266 PolarHBondContact O-OG 3.1Å; Y264-S266 VanDerWaalsContact C-N 3.31Å; Y264-S266 PolarHBondContact O-N 3.3Å; Y264-S266 PolarHBondContact O-OG 3.16Å; S266-K274 CarbonylContact O-C 3.58Å; S266-K274 PolarHBondContact O-N 2.91Å
267	V	98.1	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-76	146.1	176.7	-63.5	0	0	0	0	111.8	I229 N231 L233 W263 K272 L273 F286	I229-V267 HydrophobicContact CB-CG2 4.45Å; I229-V267 HydrophobicContact CG2-CG1 4.14Å; I229-V267 HydrophobicContact CG2-CG2 4.42Å; N231-V267 WeakPolarHBondContact O-CG1 3.22Å; L233-V267 HydrophobicContact CD1-CG1 4.49Å; L233-V267 HydrophobicContact CD1-CG2 3.93Å; L233-V267 HydrophobicContact CG-CG1 4.28Å; W263-V267 HydrophobicContact CH2-CG2 3.64Å; W263-V267 HydrophobicContact CZ2-CG2 3.43Å; W263-V267 VanDerWaalsContact CZ2-CG2 3.43Å; V267-K272 VanDerWaalsContact CA-O 3.3Å; V267-K272 WeakPolarHBondContact CA-O 3.13Å; V267-L273 HydrophobicContact CG1-CB 4.42Å; V267-L273 HydrophobicContact CG1-CD1 4.37Å; V267-F286 HydrophobicContact CG2-CE2 4.37Å; V267-F286 HydrophobicContact CG2-CZ 4.02Å; V267-F286 WeakPolarHBondContact O-CE2 3.16Å
268	I	98.6	Very high	98	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.072	18%	0.178	C	C	.	.			trans	-102.6	174.3	174.4	66.7	177.5	0	0	0	111.1	D270 G271 K272 K274 Q276 S282	I268-D270 WeakPolarHBondContact CD1-OD1 3.46Å; I268-D270 WeakPolarHBondContact CG1-OD1 3.4Å; I268-D270 PolarHBondContact O-N 2.8Å; I268-G271 WeakPolarHBondContact O-CA 3.45Å; I268-G271 PolarHBondContact O-N 3.4Å; I268-K272 HydrophobicContact CD1-CB 4.46Å; I268-K272 HydrophobicContact CG1-CB 4.29Å; I268-K272 PolarHBondContact N-O 2.85Å; I268-K274 HydrophobicContact CD1-CB 4.47Å; I268-K274 HydrophobicContact CD1-CD 4.44Å; I268-K274 HydrophobicContact CG2-CB 4.4Å; I268-K274 WeakPolarHBondContact CG2-O 3.35Å; I268-Q276 HydrophobicContact CG2-CG 4.1Å; I268-S282 CarbonylContact C-O 3.26Å; I268-S282 WeakPolarHBondContact CA-O 3.19Å; I268-S282 WeakPolarHBondContact CB-O 3.47Å
269	E	97.9	Very high	98.3	Very high	103 Å²	103	33 Å²	33	48%	0.481	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22	-174	65.3	179.3	176.1	0	0	115	S282 I285	E269-S282 WeakPolarHBondContact CB-O 3.41Å; E269-S282 PolarHBondContact N-O 2.78Å; E269-I285 HydrophobicContact CB-CG2 4.38Å
270	D	97.8	Very high	98.3	Very high	75 Å²	75	33.5 Å²	33.5	40%	0.401	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2.4	176.2	80	-5.4	0	0	0	114.1	I268 K272	I268-D270 WeakPolarHBondContact CD1-OD1 3.46Å; I268-D270 WeakPolarHBondContact CG1-OD1 3.4Å; I268-D270 PolarHBondContact O-N 2.8Å; D270-K272 VanDerWaalsContact OD1-CB 3.29Å; D270-K272 WeakPolarHBondContact OD1-CB 3.43Å; D270-K272 VanDerWaalsContact OD1-CG 3.28Å; D270-K272 WeakPolarHBondContact OD1-CG 3.27Å; D270-K272 PolarHBondContact OD1-N 3.35Å; D270-K272 WeakPolarHBondContact OD2-CD 3.41Å; D270-K272 WeakPolarHBondContact OD2-CE 3.45Å; D270-K272 IonicContact OD2-NZ 2.75Å; D270-K272 PolarHBondContact OD2-NZ 2.87Å
271	G	98.3	Very high	98.3	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	88.1	-3.6	178.2	0	0	0	0	0	114.7	N232 L233 I268	N232-G271 CarbonylContact C-O 3.54Å; N232-G271 WeakPolarHBondContact CA-O 3.15Å; L233-G271 PolarHBondContact N-O 3.43Å; I268-G271 WeakPolarHBondContact O-CA 3.45Å; I268-G271 PolarHBondContact O-N 3.4Å
272	K	98.5	Very high	98.2	Very high	119 Å²	119	39.3 Å²	39.3	52%	0.517	19%	0.185	S	C	.	.			trans	-75.9	137.3	178.1	-66.5	174.5	-171	132.6	0	111.7	N232 V267 I268 D270 K274	N232-K272 WeakPolarHBondContact OD1-CA 3.33Å; V267-K272 VanDerWaalsContact CA-O 3.3Å; V267-K272 WeakPolarHBondContact CA-O 3.13Å; I268-K272 HydrophobicContact CD1-CB 4.46Å; I268-K272 HydrophobicContact CG1-CB 4.29Å; I268-K272 PolarHBondContact N-O 2.85Å; D270-K272 VanDerWaalsContact OD1-CB 3.29Å; D270-K272 WeakPolarHBondContact OD1-CB 3.43Å; D270-K272 VanDerWaalsContact OD1-CG 3.28Å; D270-K272 WeakPolarHBondContact OD1-CG 3.27Å; D270-K272 PolarHBondContact OD1-N 3.35Å; D270-K272 WeakPolarHBondContact OD2-CD 3.41Å; D270-K272 WeakPolarHBondContact OD2-CE 3.45Å; D270-K272 IonicContact OD2-NZ 2.75Å; D270-K272 PolarHBondContact OD2-NZ 2.87Å; K272-K274 PolarHBondContact O-N 3.47Å; K272-K274 VanDerWaalsContact O-N 3.17Å
273	L	98.3	Very high	98.2	Very high	45 Å²	45	39.3 Å²	39.3	24%	0.236	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-69.9	106.1	166.3	-180	63.8	0	0	0	109.3	N232 V267 W275	N232-L273 PolarHBondContact OD1-N 3.34Å; V267-L273 HydrophobicContact CG1-CB 4.42Å; V267-L273 HydrophobicContact CG1-CD1 4.37Å; L273-W275 HydrophobicContact CD1-CZ2 4.08Å; L273-W275 HydrophobicContact CD2-CH2 3.99Å; L273-W275 HydrophobicContact CD2-CZ2 3.97Å; L273-W275 HydrophobicContact CG-CH2 4.17Å; L273-W275 HydrophobicContact CG-CZ2 4.04Å
274	K	98.3	Very high	98.2	Very high	119 Å²	119	43.3 Å²	43.3	52%	0.517	20%	0.2	S	C	.	.			trans	-155.4	97.9	-179.7	-170.9	-173.6	174.7	-169.7	0	110.4	S266 I268 K272 Q276	S266-K274 CarbonylContact O-C 3.58Å; S266-K274 PolarHBondContact O-N 2.91Å; I268-K274 HydrophobicContact CD1-CB 4.47Å; I268-K274 HydrophobicContact CD1-CD 4.44Å; I268-K274 HydrophobicContact CG2-CB 4.4Å; I268-K274 WeakPolarHBondContact CG2-O 3.35Å; K272-K274 PolarHBondContact O-N 3.47Å; K272-K274 VanDerWaalsContact O-N 3.17Å; K274-Q276 PolarHBondContact O-N 3.48Å; K274-Q276 PolarHBondContact O-NE2 3Å
275	W	98	Very high	98.1	Very high	104 Å²	104	46.9 Å²	46.9	39%	0.394	22%	0.219	S	C	.	.			trans	-58.3	120.4	173.5	-49.2	-91.6	0	0	0	111.1	E230 Y264 L273 N296	E230-W275 VanDerWaalsContact OE2-CZ2 3.23Å; E230-W275 WeakPolarHBondContact OE2-CZ2 3.47Å; E230-W275 PolarHBondContact OE2-NE1 3.24Å; Y264-W275 AromaticContact CE1-CD1 3.8Å; Y264-W275 AromaticContact CE1-NE1 3.87Å; L273-W275 HydrophobicContact CD1-CZ2 4.08Å; L273-W275 HydrophobicContact CD2-CH2 3.99Å; L273-W275 HydrophobicContact CD2-CZ2 3.97Å; L273-W275 HydrophobicContact CG-CH2 4.17Å; L273-W275 HydrophobicContact CG-CZ2 4.04Å; W275-N296 HydrophobicContact CB-CB 3.61Å; W275-N296 HydrophobicContact CG-CB 4.02Å
276	Q	98.3	Very high	98.1	Very high	29 Å²	29	46.9 Å²	46.9	14%	0.136	22%	0.219	C	C	.	.			trans	-84.2	-23.1	-179.7	-60.6	-56	-75.6	0	0	112.1	D265 I268 K274 E278 N280 N283	D265-Q276 PolarHBondContact OD1-N 3.02Å; D265-Q276 VanDerWaalsContact OD1-N 3.09Å; D265-Q276 PolarHBondContact OD2-N 2.77Å; D265-Q276 VanDerWaalsContact OD2-N 3.11Å; I268-Q276 HydrophobicContact CG2-CG 4.1Å; K274-Q276 PolarHBondContact O-N 3.48Å; K274-Q276 PolarHBondContact O-NE2 3Å; Q276-E278 HydrophobicContact CB-CG 4.11Å; Q276-E278 WeakPolarHBondContact CB-O 3.17Å; Q276-E278 PolarHBondContact O-N 3.14Å; Q276-N280 PolarHBondContact OE1-ND2 3.36Å; Q276-N283 WeakPolarHBondContact CG-ND2 2.96Å
277	N	98.2	Very high	98.2	Very high	29 Å²	29	46.9 Å²	46.9	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	63.6	15.7	-168.6	-39.5	-76.7	0	0	0	113.2	D265 N296 N298 W299	D265-N277 WeakPolarHBondContact OD2-CA 3.44Å; D265-N277 PolarHBondContact OD2-N 2.75Å; N277-N296 PolarHBondContact OD1-ND2 2.79Å; N277-N298 WeakPolarHBondContact OD1-CB 3.46Å; N277-N298 PolarHBondContact OD1-N 3.22Å; N277-W299 HydrophobicContact CB-CB 3.94Å; N277-W299 WeakPolarHBondContact O-CB 2.97Å
278	E	98.1	Very high	98.2	Very high	28 Å²	28	50.6 Å²	50.6	13%	0.131	24%	0.238	C	C	.	.	S	Bend	trans	-161.1	156.3	-178.6	61.4	179.3	-157.1	0	0	110	Q276 N280 N283 N303 M307	Q276-E278 HydrophobicContact CB-CG 4.11Å; Q276-E278 WeakPolarHBondContact CB-O 3.17Å; Q276-E278 PolarHBondContact O-N 3.14Å; E278-N280 HydrophobicContact CG-CB 4.23Å; E278-N280 PolarHBondContact O-N 3.14Å; E278-N280 PolarHBondContact OE1-ND2 2.85Å; E278-N283 PolarHBondContact O-ND2 3.03Å; E278-N303 HydrophobicContact CB-CB 4.25Å; E278-N303 PolarHBondContact OE2-ND2 3.2Å; E278-M307 VanDerWaalsContact CA-SD 3.55Å; E278-M307 HydrophobicContact CB-CE 3.81Å; E278-M307 HydrophobicContact CB-CG 3.86Å; E278-M307 HydrophobicContact CB-SD 3.64Å
279	L	98.4	Very high	98.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.			trans	-83.7	109.8	167.6	173.9	63.6	0	0	0	109.2	F287 F293 W306 M307 Y310 V313 V320	L279-F287 HydrophobicContact CD1-CB 3.63Å; L279-F287 HydrophobicContact CD1-CD1 4.16Å; L279-F287 HydrophobicContact CD1-CG 4Å; L279-F287 HydrophobicContact CD2-CB 4.32Å; L279-F287 HydrophobicContact CD2-CD1 3.4Å; L279-F287 HydrophobicContact CD2-CD2 4.32Å; L279-F287 HydrophobicContact CD2-CE1 3.59Å; L279-F287 HydrophobicContact CD2-CE2 4.45Å; L279-F287 HydrophobicContact CD2-CG 3.75Å; L279-F287 HydrophobicContact CD2-CZ 4.09Å; L279-F287 HydrophobicContact CG-CD1 4.41Å; L279-F293 HydrophobicContact CB-CD1 4.04Å; L279-F293 HydrophobicContact CB-CE1 4.1Å; L279-F293 HydrophobicContact CD1-CD2 4.11Å; L279-F293 HydrophobicContact CD1-CE2 4.21Å; L279-F293 HydrophobicContact CD1-CG 4.27Å; L279-F293 HydrophobicContact CD1-CZ 4.47Å; L279-W306 WeakPolarHBondContact O-CZ3 3.46Å; L279-M307 HydrophobicContact CB-SD 4.18Å; L279-M307 PolarHBondContact N-SD 3.02Å; L279-Y310 WeakPolarHBondContact O-CD1 3.43Å; L279-V313 HydrophobicContact CD2-CG2 3.9Å; L279-V320 HydrophobicContact CD2-CG2 3.87Å
280	N	97.8	Very high	98.2	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.07	22%	0.219	C	C	.	.			trans	-133.7	-173.5	179.6	71.5	37.1	0	0	0	112.7	Q276 E278 S282 N283 R284 W306	Q276-N280 PolarHBondContact OE1-ND2 3.36Å; E278-N280 HydrophobicContact CG-CB 4.23Å; E278-N280 PolarHBondContact O-N 3.14Å; E278-N280 PolarHBondContact OE1-ND2 2.85Å; N280-S282 PolarHBondContact O-N 3.28Å; N280-S282 VanDerWaalsContact O-N 3.13Å; N280-S282 VanDerWaalsContact OD1-CB 3.31Å; N280-S282 WeakPolarHBondContact OD1-CB 3.44Å; N280-S282 PolarHBondContact OD1-N 2.8Å; N280-S282 PolarHBondContact OD1-OG 2.96Å; N280-S282 VanDerWaalsContact OD1-OG 3.1Å; N280-N283 PolarHBondContact N-OD1 2.76Å; N280-N283 PolarHBondContact O-N 3.33Å; N280-N283 PolarHBondContact O-OD1 2.81Å; N280-R284 VanDerWaalsContact O-CB 3.29Å; N280-R284 WeakPolarHBondContact O-CB 3.34Å; N280-R284 PolarHBondContact O-N 2.94Å; N280-W306 HydrophobicContact CB-CH2 3.41Å; N280-W306 VanDerWaalsContact CB-CH2 3.41Å; N280-W306 HydrophobicContact CB-CZ2 4.4Å; N280-W306 HydrophobicContact CB-CZ3 3.65Å
281	Q	97.5	Very high	98.2	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.6	-176.6	-176.2	55.9	48.3	0	0	113.1	N283 Y310	Q281-N283 PolarHBondContact O-N 3.44Å; Q281-Y310 PolarHBondContact OE1-OH 2.85Å
282	S	98.2	Very high	98.2	Very high	32 Å²	32	43.6 Å²	43.6	22%	0.224	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.6	-174.5	-36.4	0	0	0	0	113.3	I268 E269 N280	I268-S282 CarbonylContact C-O 3.26Å; I268-S282 WeakPolarHBondContact CA-O 3.19Å; I268-S282 WeakPolarHBondContact CB-O 3.47Å; E269-S282 WeakPolarHBondContact CB-O 3.41Å; E269-S282 PolarHBondContact N-O 2.78Å; N280-S282 PolarHBondContact O-N 3.28Å; N280-S282 VanDerWaalsContact O-N 3.13Å; N280-S282 VanDerWaalsContact OD1-CB 3.31Å; N280-S282 WeakPolarHBondContact OD1-CB 3.44Å; N280-S282 PolarHBondContact OD1-N 2.8Å; N280-S282 PolarHBondContact OD1-OG 2.96Å; N280-S282 VanDerWaalsContact OD1-OG 3.1Å
283	N	98.3	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-3.6	-178.4	58.9	17.8	0	0	0	113.2	D265 Q276 E278 N280 Q281 I285 F286 F293	D265-N283 PolarHBondContact OD1-ND2 2.83Å; Q276-N283 WeakPolarHBondContact CG-ND2 2.96Å; E278-N283 PolarHBondContact O-ND2 3.03Å; N280-N283 PolarHBondContact N-OD1 2.76Å; N280-N283 PolarHBondContact O-N 3.33Å; N280-N283 PolarHBondContact O-OD1 2.81Å; Q281-N283 PolarHBondContact O-N 3.44Å; N283-I285 PolarHBondContact O-N 3.43Å; N283-I285 VanDerWaalsContact O-N 3.12Å; N283-F286 HydrophobicContact CB-CD2 4.41Å; N283-F286 WeakPolarHBondContact O-CD2 3.42Å; N283-F286 PolarHBondContact O-N 2.99Å; N283-F286 VanDerWaalsContact O-N 3.13Å; N283-F293 HydrophobicContact CB-CE2 4.22Å; N283-F293 HydrophobicContact CB-CZ 4.34Å; N283-F293 VanDerWaalsContact ND2-CZ 3.33Å; N283-F293 WeakPolarHBondContact ND2-CZ 3.41Å
284	R	97.9	Very high	98.3	Very high	86 Å²	86	35.9 Å²	35.9	33%	0.325	17%	0.17	S	C	.	.	H	α-helix	trans	-48.3	-40.2	176.3	172.4	179.7	-177	-136.6	-16.5	113.8	N280 F286 F287 D288 V312	N280-R284 VanDerWaalsContact O-CB 3.29Å; N280-R284 WeakPolarHBondContact O-CB 3.34Å; N280-R284 PolarHBondContact O-N 2.94Å; R284-F286 PolarHBondContact O-N 3.32Å; R284-F286 VanDerWaalsContact O-N 3.13Å; R284-F287 PolarHBondContact O-N 3.05Å; R284-D288 IonicContact CZ-OD2 3.29Å; R284-D288 IonicContact NE-OD1 2.71Å; R284-D288 IonicContact NE-OD2 3.84Å; R284-D288 PolarHBondContact NE-OD2 3.44Å; R284-D288 IonicContact NH2-OD1 2.9Å; R284-D288 IonicContact NH2-OD2 3.84Å; R284-D288 PolarHBondContact NH2-OD2 3.44Å; R284-D288 PolarHBondContact O-N 3.24Å; R284-V312 HydrophobicContact CG-CG1 4.01Å; R284-V312 VanDerWaalsContact NE-CG2 3.29Å
285	I	98.1	Very high	98.3	Very high	80 Å²	80	30.2 Å²	30.2	41%	0.41	15%	0.146	S	C	.	.	H	α-helix	trans	-57.5	-30.4	-174.8	-165	171	0	0	0	112.5	P242 E269 N283	P242-I285 HydrophobicContact CB-CD1 4.46Å; P242-I285 HydrophobicContact CB-CG1 4.03Å; P242-I285 HydrophobicContact CG-CB 4.46Å; P242-I285 HydrophobicContact CG-CD1 3.84Å; P242-I285 HydrophobicContact CG-CG1 3.69Å; P242-I285 HydrophobicContact CG-CG2 4.12Å; E269-I285 HydrophobicContact CB-CG2 4.38Å; N283-I285 PolarHBondContact O-N 3.43Å; N283-I285 VanDerWaalsContact O-N 3.12Å
286	F	98.6	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-79.2	-40.8	176.9	-53	-69.7	0	0	0	111.8	V238 A241 P242 L245 W263 V267 N283 R284 D288 A289 C290	V238-F286 HydrophobicContact CG2-CZ 4.02Å; A241-F286 HydrophobicContact CB-CE1 3.87Å; P242-F286 HydrophobicContact CG-CD1 3.98Å; P242-F286 HydrophobicContact CG-CE1 3.9Å; L245-F286 HydrophobicContact CD1-CB 3.92Å; L245-F286 HydrophobicContact CD1-CD1 3.93Å; L245-F286 HydrophobicContact CD1-CG 4.41Å; W263-F286 HydrophobicContact CB-CB 4.48Å; W263-F286 HydrophobicContact CD2-CB 3.82Å; W263-F286 HydrophobicContact CD2-CD1 4.49Å; W263-F286 HydrophobicContact CD2-CG 4.16Å; W263-F286 AromaticContact CE2-CD2 3.92Å; W263-F286 AromaticContact CE2-CG 3.62Å; W263-F286 HydrophobicContact CG-CB 3.71Å; W263-F286 HydrophobicContact CG-CG 4.49Å; W263-F286 HydrophobicContact CH2-CD1 4.19Å; W263-F286 HydrophobicContact CH2-CE1 4.35Å; W263-F286 HydrophobicContact CZ2-CB 4.41Å; W263-F286 AromaticContact CZ2-CD1 3.93Å; W263-F286 HydrophobicContact CZ2-CD1 3.93Å; W263-F286 HydrophobicContact CZ2-CD2 4.02Å; W263-F286 HydrophobicContact CZ2-CE1 4.18Å; W263-F286 HydrophobicContact CZ2-CE2 4.27Å; W263-F286 AromaticContact CZ2-CG 3.85Å; W263-F286 HydrophobicContact CZ2-CG 3.85Å; W263-F286 HydrophobicContact CZ2-CZ 4.35Å; W263-F286 AromaticContact NE1-CD2 3.7Å; W263-F286 AromaticContact NE1-CG 3.69Å; V267-F286 HydrophobicContact CG2-CE2 4.37Å; V267-F286 HydrophobicContact CG2-CZ 4.02Å; V267-F286 WeakPolarHBondContact O-CE2 3.16Å; N283-F286 HydrophobicContact CB-CD2 4.41Å; N283-F286 WeakPolarHBondContact O-CD2 3.42Å; N283-F286 PolarHBondContact O-N 2.99Å; N283-F286 VanDerWaalsContact O-N 3.13Å; R284-F286 PolarHBondContact O-N 3.32Å; R284-F286 VanDerWaalsContact O-N 3.13Å; F286-D288 VanDerWaalsContact C-N 3.34Å; F286-D288 PolarHBondContact O-N 3.14Å; F286-A289 WeakPolarHBondContact O-CB 3.46Å; F286-A289 PolarHBondContact O-N 3.22Å; F286-A289 VanDerWaalsContact O-N 3.08Å; F286-C290 PolarHBondContact O-N 3.32Å; F286-C290 PolarHBondContact O-SG 3.15Å
287	F	98.5	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-37.3	176.4	174.3	-116	0	0	0	113.3	L279 R284 A289 C290 F293 V312 R316 D319 V320	L279-F287 HydrophobicContact CD1-CB 3.63Å; L279-F287 HydrophobicContact CD1-CD1 4.16Å; L279-F287 HydrophobicContact CD1-CG 4Å; L279-F287 HydrophobicContact CD2-CB 4.32Å; L279-F287 HydrophobicContact CD2-CD1 3.4Å; L279-F287 HydrophobicContact CD2-CD2 4.32Å; L279-F287 HydrophobicContact CD2-CE1 3.59Å; L279-F287 HydrophobicContact CD2-CE2 4.45Å; L279-F287 HydrophobicContact CD2-CG 3.75Å; L279-F287 HydrophobicContact CD2-CZ 4.09Å; L279-F287 HydrophobicContact CG-CD1 4.41Å; R284-F287 PolarHBondContact O-N 3.05Å; F287-A289 PolarHBondContact O-N 3.18Å; F287-C290 PolarHBondContact O-N 3.17Å; F287-C290 VanDerWaalsContact O-O 3.11Å; F287-F293 HydrophobicContact CB-CB 4.39Å; F287-F293 HydrophobicContact CB-CD2 4.15Å; F287-F293 HydrophobicContact CD2-CB 3.56Å; F287-F293 HydrophobicContact CE2-CB 4.12Å; F287-F293 HydrophobicContact CG-CB 4.26Å; F287-V312 HydrophobicContact CD1-CG1 4.06Å; F287-V312 HydrophobicContact CE1-CG1 4.16Å; F287-R316 HydrophobicContact CE1-CB 4.3Å; F287-R316 HydrophobicContact CZ-CB 3.76Å; F287-R316 PolarHBondContact O-NH1 2.78Å; F287-D319 HydrophobicContact CE2-CB 3.98Å; F287-D319 HydrophobicContact CZ-CB 4.29Å; F287-V320 HydrophobicContact CE2-CG2 4.19Å; F287-V320 HydrophobicContact CZ-CG2 4.06Å
288	D	98.1	Very high	98.1	Very high	77 Å²	77	27.5 Å²	27.5	41%	0.412	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.3	175.8	-75.3	-4.4	0	0	0	111.9	R284 F286	R284-D288 IonicContact CZ-OD2 3.29Å; R284-D288 IonicContact NE-OD1 2.71Å; R284-D288 IonicContact NE-OD2 3.84Å; R284-D288 PolarHBondContact NE-OD2 3.44Å; R284-D288 IonicContact NH2-OD1 2.9Å; R284-D288 IonicContact NH2-OD2 3.84Å; R284-D288 PolarHBondContact NH2-OD2 3.44Å; R284-D288 PolarHBondContact O-N 3.24Å; F286-D288 VanDerWaalsContact C-N 3.34Å; F286-D288 PolarHBondContact O-N 3.14Å
289	A	98.6	Very high	98.1	Very high	13 Å²	13	26.5 Å²	26.5	11%	0.107	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-4.6	-177	0	0	0	0	0	114.6	P242 L245 Q246 F286 F287	P242-A289 HydrophobicContact CB-CB 4.17Å; P242-A289 WeakPolarHBondContact O-CB 3.28Å; L245-A289 CarbonylContact C-O 3.48Å; L245-A289 HydrophobicContact CB-CB 3.92Å; Q246-A289 VanDerWaalsContact CA-O 3.25Å; Q246-A289 WeakPolarHBondContact CA-O 3.46Å; Q246-A289 HydrophobicContact CB-CB 4.33Å; Q246-A289 PolarHBondContact N-O 2.78Å; F286-A289 WeakPolarHBondContact O-CB 3.46Å; F286-A289 PolarHBondContact O-N 3.22Å; F286-A289 VanDerWaalsContact O-N 3.08Å; F287-A289 PolarHBondContact O-N 3.18Å
290	C	98.6	Very high	98.1	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.041	15%	0.151	C	C	.	.	S	Bend	trans	-145.1	-176.9	-178	68.9	0	0	0	0	113	I261 F286 F287 G292 R316	I261-C290 HydrophobicContact CB-CB 4.26Å; I261-C290 HydrophobicContact CG2-CB 4.1Å; I261-C290 WeakPolarHBondContact O-CB 3.41Å; F286-C290 PolarHBondContact O-N 3.32Å; F286-C290 PolarHBondContact O-SG 3.15Å; F287-C290 PolarHBondContact O-N 3.17Å; F287-C290 VanDerWaalsContact O-O 3.11Å; C290-G292 PolarHBondContact SG-O 3.48Å; C290-G292 VanDerWaalsContact SG-O 3.32Å; C290-R316 PolarHBondContact O-NH2 3.16Å
291	D	98.4	Very high	98.1	Very high	29 Å²	29	32 Å²	32	16%	0.155	16%	0.163	C	C	.	.	S	Bend	trans	-78.2	-31.1	-170.7	-61.3	-60	0	0	0	114	H253 L260 I261 R316 D319	H253-D291 IonicContact CE1-OD1 3.66Å; H253-D291 PolarHBondContact CE1-OD1 3.25Å; H253-D291 IonicContact CE1-OD2 3.99Å; H253-D291 IonicContact NE2-OD1 2.92Å; H253-D291 PolarHBondContact NE2-OD1 3.26Å; H253-D291 IonicContact NE2-OD2 2.75Å; L260-D291 HydrophobicContact CD2-CB 3.93Å; I261-D291 PolarHBondContact N-OD2 3.01Å; I261-D291 WeakPolarHBondContact O-CB 3.36Å; I261-D291 PolarHBondContact O-N 3.22Å; D291-R316 PolarHBondContact O-NH2 2.85Å; D291-D319 VanDerWaalsContact O-CB 3.3Å; D291-D319 WeakPolarHBondContact O-CB 3.46Å
292	G	98.3	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	169.8	179	0	0	0	0	0	114.7	I261 L262 W263 C290 D319	I261-G292 PolarHBondContact O-N 3.09Å; L262-G292 WeakPolarHBondContact CA-O 3.43Å; W263-G292 PolarHBondContact N-O 2.87Å; C290-G292 PolarHBondContact SG-O 3.48Å; C290-G292 VanDerWaalsContact SG-O 3.32Å; G292-D319 CarbonylContact C-O 3.54Å; G292-D319 WeakPolarHBondContact CA-O 3.36Å
293	F	98.7	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.2	-176.1	-171.4	-95.8	0	0	0	110.1	W263 D265 L279 N283 F287 T295 D319 Y321	W263-F293 AromaticContact CD1-CD2 3.77Å; W263-F293 AromaticContact CD1-CE2 3.6Å; W263-F293 WeakPolarHBondContact O-CA 3.43Å; D265-F293 HydrophobicContact CB-CE1 3.71Å; D265-F293 HydrophobicContact CB-CE2 4.32Å; D265-F293 HydrophobicContact CB-CZ 3.42Å; D265-F293 VanDerWaalsContact CB-CZ 3.42Å; L279-F293 HydrophobicContact CB-CD1 4.04Å; L279-F293 HydrophobicContact CB-CE1 4.1Å; L279-F293 HydrophobicContact CD1-CD2 4.11Å; L279-F293 HydrophobicContact CD1-CE2 4.21Å; L279-F293 HydrophobicContact CD1-CG 4.27Å; L279-F293 HydrophobicContact CD1-CZ 4.47Å; N283-F293 HydrophobicContact CB-CE2 4.22Å; N283-F293 HydrophobicContact CB-CZ 4.34Å; N283-F293 VanDerWaalsContact ND2-CZ 3.33Å; N283-F293 WeakPolarHBondContact ND2-CZ 3.41Å; F287-F293 HydrophobicContact CB-CB 4.39Å; F287-F293 HydrophobicContact CB-CD2 4.15Å; F287-F293 HydrophobicContact CD2-CB 3.56Å; F287-F293 HydrophobicContact CE2-CB 4.12Å; F287-F293 HydrophobicContact CG-CB 4.26Å; F293-T295 HydrophobicContact CD1-CG2 3.94Å; F293-T295 HydrophobicContact CE1-CG2 3.9Å; F293-D319 PolarHBondContact N-O 3.31Å; F293-Y321 PolarHBondContact O-N 3.4Å
294	F	98.8	Very high	98.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.9	175.2	-175	167.8	0	0	0	108	L120 L226 W263 Y264 D265 Y297 Y321 A354 F356	L120-F294 HydrophobicContact CD2-CD1 4.47Å; L120-F294 HydrophobicContact CD2-CE1 4.12Å; L226-F294 HydrophobicContact CD1-CB 4.48Å; L226-F294 HydrophobicContact CD1-CD1 4.03Å; L226-F294 HydrophobicContact CD2-CD1 4.38Å; W263-F294 PolarHBondContact O-N 2.62Å; Y264-F294 HydrophobicContact CD2-CB 4.08Å; Y264-F294 AromaticContact CD2-CD1 3.98Å; Y264-F294 HydrophobicContact CD2-CD1 3.98Å; Y264-F294 AromaticContact CD2-CD2 3.97Å; Y264-F294 HydrophobicContact CD2-CD2 3.97Å; Y264-F294 HydrophobicContact CD2-CE1 4.36Å; Y264-F294 HydrophobicContact CD2-CE2 4.3Å; Y264-F294 AromaticContact CD2-CG 3.76Å; Y264-F294 HydrophobicContact CD2-CG 3.76Å; Y264-F294 HydrophobicContact CD2-CZ 4.48Å; Y264-F294 HydrophobicContact CE2-CD1 4.44Å; Y264-F294 AromaticContact CE2-CD2 3.9Å; Y264-F294 HydrophobicContact CE2-CD2 3.9Å; Y264-F294 HydrophobicContact CE2-CE1 4.45Å; Y264-F294 AromaticContact CE2-CE2 3.86Å; Y264-F294 HydrophobicContact CE2-CE2 3.86Å; Y264-F294 HydrophobicContact CE2-CG 4.17Å; Y264-F294 HydrophobicContact CE2-CZ 4.15Å; D265-F294 WeakPolarHBondContact CB-O 3.45Å; D265-F294 PolarHBondContact N-O 3.23Å; F294-Y297 AromaticContact CE2-CE1 3.85Å; F294-Y297 HydrophobicContact CE2-CE1 3.85Å; F294-Y297 HydrophobicContact CZ-CE1 4.01Å; F294-Y321 WeakPolarHBondContact CA-O 3.38Å; F294-A354 HydrophobicContact CD1-CB 4.07Å; F294-A354 HydrophobicContact CD2-CB 3.65Å; F294-A354 HydrophobicContact CE1-CB 3.81Å; F294-A354 HydrophobicContact CE2-CB 3.42Å; F294-A354 VanDerWaalsContact CE2-CB 3.42Å; F294-A354 HydrophobicContact CG-CB 4.02Å; F294-A354 HydrophobicContact CZ-CB 3.5Å; F294-A354 VanDerWaalsContact CZ-CB 3.5Å; F294-F356 HydrophobicContact CZ-CB 4.21Å; F294-F356 HydrophobicContact CZ-CD2 4.38Å
295	T	98.6	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.			trans	-68.5	152.6	177.9	77.4	0	0	0	0	112.1	F293 V320 Y321 I322 G323	F293-T295 HydrophobicContact CD1-CG2 3.94Å; F293-T295 HydrophobicContact CE1-CG2 3.9Å; T295-V320 HydrophobicContact CG2-CG1 4.24Å; T295-Y321 PolarHBondContact N-O 3.33Å; T295-I322 HydrophobicContact CG2-CD1 3.72Å; T295-I322 WeakPolarHBondContact OG1-CA 3.26Å; T295-G323 PolarHBondContact OG1-N 2.89Å
296	N	98.3	Very high	97.9	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.102	18%	0.175	C	C	.	.			trans	-64.6	167.3	163.4	-173.1	51	0	0	0	111.2	Y264 D265 W275 N277	Y264-N296 PolarHBondContact OH-OD1 3.21Å; D265-N296 HydrophobicContact CB-CB 4.43Å; D265-N296 PolarHBondContact OD2-N 2.84Å; W275-N296 HydrophobicContact CB-CB 3.61Å; W275-N296 HydrophobicContact CG-CB 4.02Å; N277-N296 PolarHBondContact OD1-ND2 2.79Å
297	Y	96.3	Very high	97.9	Very high	30 Å²	30	35.8 Å²	35.8	12%	0.118	18%	0.175	C	C	.	.	S	Bend	trans	-84.3	-20.3	-165.7	-38.5	-60.7	0	0	0	115.2	Y264 F294 W299 D325 F356	Y264-Y297 HydrophobicContact CE2-CE1 4.35Å; Y264-Y297 WeakPolarHBondContact OH-CE2 3.39Å; Y264-Y297 PolarHBondContact OH-OH 2.8Å; F294-Y297 AromaticContact CE2-CE1 3.85Å; F294-Y297 HydrophobicContact CE2-CE1 3.85Å; F294-Y297 HydrophobicContact CZ-CE1 4.01Å; Y297-W299 VanDerWaalsContact O-CD1 3.26Å; Y297-W299 PolarHBondContact O-N 3.23Å; Y297-W299 VanDerWaalsContact O-N 3.1Å; Y297-W299 PolarHBondContact O-NE1 3.39Å; Y297-D325 HydrophobicContact CD1-CB 4.13Å; Y297-D325 HydrophobicContact CD2-CB 3.95Å; Y297-D325 HydrophobicContact CG-CB 3.75Å; Y297-F356 HydrophobicContact CD1-CB 4.43Å; Y297-F356 HydrophobicContact CE1-CB 3.63Å; Y297-F356 AromaticContact CE1-CD1 3.9Å; Y297-F356 HydrophobicContact CE1-CD1 3.9Å; Y297-F356 HydrophobicContact CE1-CD2 4.48Å; Y297-F356 AromaticContact CE1-CG 3.75Å; Y297-F356 HydrophobicContact CE1-CG 3.75Å; Y297-F356 HydrophobicContact CE2-CD1 4.02Å; Y297-F356 HydrophobicContact CE2-CE1 4.23Å; Y297-F356 AromaticContact CZ-CD1 3.43Å; Y297-F356 VanDerWaalsContact CZ-CD1 3.43Å; Y297-F356 AromaticContact CZ-CE1 3.87Å; Y297-F356 AromaticContact CZ-CG 3.64Å; Y297-F356 WeakPolarHBondContact OH-CD1 3.18Å; Y297-F356 WeakPolarHBondContact OH-CD2 3.29Å; Y297-F356 VanDerWaalsContact OH-CE1 3.28Å; Y297-F356 WeakPolarHBondContact OH-CE1 3.15Å; Y297-F356 VanDerWaalsContact OH-CG 3.22Å; Y297-F356 WeakPolarHBondContact OH-CG 3.47Å; Y297-F356 WeakPolarHBondContact OH-CZ 3.23Å
298	N	97	Very high	97.7	Very high	57 Å²	57	39.5 Å²	39.5	31%	0.305	19%	0.191	S	C	.	.			trans	-88.4	36.5	-170.7	-63.8	33.8	0	0	0	113.3	N277 K331	N277-N298 WeakPolarHBondContact OD1-CB 3.46Å; N277-N298 PolarHBondContact OD1-N 3.22Å; N298-K331 PolarHBondContact ND2-N 2.57Å
299	W	98.1	Very high	97.4	Very high	6 Å²	6	42 Å²	42	2%	0.023	21%	0.205	C	C	.	.			trans	-75.6	160.2	176.8	54.7	-94.1	0	0	0	111.4	N277 Y297 N303 L304 I322 G323 V333 A342 V345 I346	N277-W299 HydrophobicContact CB-CB 3.94Å; N277-W299 WeakPolarHBondContact O-CB 2.97Å; Y297-W299 VanDerWaalsContact O-CD1 3.26Å; Y297-W299 PolarHBondContact O-N 3.23Å; Y297-W299 VanDerWaalsContact O-N 3.1Å; Y297-W299 PolarHBondContact O-NE1 3.39Å; W299-N303 HydrophobicContact CB-CB 4.44Å; W299-L304 HydrophobicContact CB-CD1 4.25Å; W299-L304 HydrophobicContact CD2-CD1 3.86Å; W299-L304 HydrophobicContact CE3-CD1 3.41Å; W299-L304 VanDerWaalsContact CE3-CD1 3.41Å; W299-L304 HydrophobicContact CE3-CD2 4.19Å; W299-L304 HydrophobicContact CE3-CG 4.48Å; W299-L304 HydrophobicContact CG-CD1 4.21Å; W299-L304 HydrophobicContact CZ3-CD1 4.05Å; W299-L304 HydrophobicContact CZ3-CD2 3.97Å; W299-I322 HydrophobicContact CD2-CG2 3.78Å; W299-I322 HydrophobicContact CG-CG2 3.89Å; W299-I322 HydrophobicContact CZ2-CG2 3.92Å; W299-I322 VanDerWaalsContact NE1-CG2 3.26Å; W299-G323 PolarHBondContact NE1-O 2.77Å; W299-V333 HydrophobicContact CE3-CG2 4.14Å; W299-V333 HydrophobicContact CH2-CB 3.8Å; W299-V333 HydrophobicContact CH2-CG1 4.22Å; W299-V333 HydrophobicContact CH2-CG2 3.81Å; W299-V333 HydrophobicContact CZ2-CB 4.19Å; W299-V333 HydrophobicContact CZ2-CG2 4.36Å; W299-V333 HydrophobicContact CZ3-CB 4.21Å; W299-V333 HydrophobicContact CZ3-CG2 3.68Å; W299-A342 HydrophobicContact CH2-CB 4.5Å; W299-A342 HydrophobicContact CZ2-CB 4.18Å; W299-V345 HydrophobicContact CH2-CB 4.25Å; W299-V345 HydrophobicContact CH2-CG1 4.37Å; W299-V345 HydrophobicContact CZ3-CB 4.33Å; W299-V345 HydrophobicContact CZ3-CG1 3.96Å; W299-I346 HydrophobicContact CH2-CD1 4.29Å; W299-I346 HydrophobicContact CH2-CG1 3.93Å; W299-I346 HydrophobicContact CZ2-CD1 3.78Å; W299-I346 HydrophobicContact CZ2-CG1 3.87Å
300	T	97.9	Very high	97.2	Very high	63 Å²	63	42.8 Å²	42.8	39%	0.387	21%	0.205	S	C	.	.			trans	-117.5	164.5	171.8	71.6	0	0	0	0	110.4	E302 N303 L304	T300-E302 PolarHBondContact O-N 2.85Å; T300-E302 PolarHBondContact OG1-N 3.41Å; T300-N303 PolarHBondContact N-OD1 2.94Å; T300-N303 WeakPolarHBondContact O-CB 3.32Å; T300-N303 PolarHBondContact O-N 3.44Å; T300-N303 PolarHBondContact OG1-N 2.86Å; T300-N303 PolarHBondContact OG1-OD1 2.66Å; T300-N303 VanDerWaalsContact OG1-OD1 3.1Å; T300-L304 WeakPolarHBondContact O-CD1 3.18Å; T300-L304 PolarHBondContact O-N 2.73Å
301	E	97.8	Very high	97	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-30.8	174.6	-169.9	168.8	-167.6	0	0	111.9	N303 L304 E305 V345 K348 H349	E301-N303 VanDerWaalsContact C-N 3.33Å; E301-N303 PolarHBondContact O-N 3.41Å; E301-L304 WeakPolarHBondContact O-CB 3.28Å; E301-L304 PolarHBondContact O-N 2.91Å; E301-L304 VanDerWaalsContact O-N 3.13Å; E301-E305 WeakPolarHBondContact O-CG 3.46Å; E301-E305 PolarHBondContact O-N 3.43Å; E301-V345 HydrophobicContact CB-CG1 4.05Å; E301-V345 HydrophobicContact CG-CG1 3.79Å; E301-K348 IonicContact OE1-NZ 3.01Å; E301-K348 PolarHBondContact OE1-NZ 3.47Å; E301-H349 VanDerWaalsContact CG-NE2 3.35Å; E301-H349 WeakPolarHBondContact CG-NE2 3.11Å; E301-H349 IonicContact OE1-CD2 3.68Å; E301-H349 IonicContact OE1-CE1 3.65Å; E301-H349 IonicContact OE1-NE2 3.35Å; E301-H349 PolarHBondContact OE1-NE2 3.16Å
302	E	97.6	Very high	96.6	Very high	149 Å²	149	46.6 Å²	46.6	70%	0.696	23%	0.233	S	C	*	.	H	α-helix	trans	-62	-38.6	174.4	-61.8	178.8	177.2	0	0	112.1	T300 L304 E305 W306	T300-E302 PolarHBondContact O-N 2.85Å; T300-E302 PolarHBondContact OG1-N 3.41Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.23Å; E302-E305 PolarHBondContact O-N 2.73Å; E302-W306 WeakPolarHBondContact O-CB 3.21Å; E302-W306 PolarHBondContact O-N 2.73Å
303	N	98	Very high	96.2	Very high	31 Å²	31	46.6 Å²	46.6	17%	0.166	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-41.2	174.3	-64.1	123.8	0	0	0	111.1	E278 W299 T300 E301 W306 M307	E278-N303 HydrophobicContact CB-CB 4.25Å; E278-N303 PolarHBondContact OE2-ND2 3.2Å; W299-N303 HydrophobicContact CB-CB 4.44Å; T300-N303 PolarHBondContact N-OD1 2.94Å; T300-N303 WeakPolarHBondContact O-CB 3.32Å; T300-N303 PolarHBondContact O-N 3.44Å; T300-N303 PolarHBondContact OG1-N 2.86Å; T300-N303 PolarHBondContact OG1-OD1 2.66Å; T300-N303 VanDerWaalsContact OG1-OD1 3.1Å; E301-N303 VanDerWaalsContact C-N 3.33Å; E301-N303 PolarHBondContact O-N 3.41Å; N303-W306 PolarHBondContact O-N 3.42Å; N303-M307 HydrophobicContact CB-CE 4.38Å; N303-M307 WeakPolarHBondContact O-CB 3.48Å; N303-M307 WeakPolarHBondContact O-CG 3.13Å; N303-M307 PolarHBondContact O-N 3.17Å
304	L	97.8	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-41.8	179.1	-82.2	61	0	0	0	111.4	W299 T300 E301 E302 W306 M307 K308 I322 V345 I346 H349 F351	W299-L304 HydrophobicContact CB-CD1 4.25Å; W299-L304 HydrophobicContact CD2-CD1 3.86Å; W299-L304 HydrophobicContact CE3-CD1 3.41Å; W299-L304 VanDerWaalsContact CE3-CD1 3.41Å; W299-L304 HydrophobicContact CE3-CD2 4.19Å; W299-L304 HydrophobicContact CE3-CG 4.48Å; W299-L304 HydrophobicContact CG-CD1 4.21Å; W299-L304 HydrophobicContact CZ3-CD1 4.05Å; W299-L304 HydrophobicContact CZ3-CD2 3.97Å; T300-L304 WeakPolarHBondContact O-CD1 3.18Å; T300-L304 PolarHBondContact O-N 2.73Å; E301-L304 WeakPolarHBondContact O-CB 3.28Å; E301-L304 PolarHBondContact O-N 2.91Å; E301-L304 VanDerWaalsContact O-N 3.13Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.23Å; L304-W306 VanDerWaalsContact C-N 3.29Å; L304-W306 PolarHBondContact O-N 2.72Å; L304-M307 HydrophobicContact CD1-CE 3.97Å; L304-M307 HydrophobicContact CG-CE 4.37Å; L304-M307 PolarHBondContact O-N 2.81Å; L304-K308 VanDerWaalsContact O-CB 3.25Å; L304-K308 WeakPolarHBondContact O-CB 3.43Å; L304-K308 PolarHBondContact O-N 3.38Å; L304-I322 HydrophobicContact CD1-CG2 4.37Å; L304-V345 HydrophobicContact CD2-CG1 4.04Å; L304-I346 HydrophobicContact CD2-CG1 4.26Å; L304-H349 HydrophobicContact CB-CB 4.22Å; L304-H349 HydrophobicContact CD2-CB 4.35Å; L304-F351 HydrophobicContact CB-CE2 4.43Å; L304-F351 HydrophobicContact CG-CD2 4.33Å
305	E	96.8	Very high	95.1	Very high	96 Å²	96	56.8 Å²	56.8	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-41.2	174.3	-74.6	-179.9	173.3	0	0	111.9	E301 E302 N309 H349	E301-E305 WeakPolarHBondContact O-CG 3.46Å; E301-E305 PolarHBondContact O-N 3.43Å; E302-E305 PolarHBondContact O-N 2.73Å; E305-N309 PolarHBondContact O-ND2 2.94Å; E305-H349 VanDerWaalsContact CG-CE1 3.46Å; E305-H349 WeakPolarHBondContact CG-CE1 3.33Å
306	W	96.1	Very high	95	Very high	109 Å²	109	59.8 Å²	59.8	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-52.7	176.2	180	87.1	0	0	0	111.5	L279 N280 E302 N303 L304 K308 N309 Y310	L279-W306 WeakPolarHBondContact O-CZ3 3.46Å; N280-W306 HydrophobicContact CB-CH2 3.41Å; N280-W306 VanDerWaalsContact CB-CH2 3.41Å; N280-W306 HydrophobicContact CB-CZ2 4.4Å; N280-W306 HydrophobicContact CB-CZ3 3.65Å; E302-W306 WeakPolarHBondContact O-CB 3.21Å; E302-W306 PolarHBondContact O-N 2.73Å; N303-W306 PolarHBondContact O-N 3.42Å; L304-W306 VanDerWaalsContact C-N 3.29Å; L304-W306 PolarHBondContact O-N 2.72Å; W306-K308 VanDerWaalsContact C-N 3.28Å; W306-K308 PolarHBondContact O-N 3.42Å; W306-N309 PolarHBondContact O-N 3.39Å; W306-Y310 HydrophobicContact CH2-CD1 4Å; W306-Y310 AromaticContact CH2-CD2 3.96Å; W306-Y310 HydrophobicContact CH2-CD2 3.96Å; W306-Y310 HydrophobicContact CH2-CE1 4.32Å; W306-Y310 HydrophobicContact CH2-CE2 4.29Å; W306-Y310 AromaticContact CH2-CG 3.83Å; W306-Y310 HydrophobicContact CH2-CG 3.83Å; W306-Y310 HydrophobicContact CZ2-CD2 4.11Å; W306-Y310 HydrophobicContact CZ2-CG 4.34Å; W306-Y310 HydrophobicContact CZ3-CD1 4.34Å; W306-Y310 HydrophobicContact CZ3-CG 4.32Å; W306-Y310 PolarHBondContact O-N 3.02Å
307	M	96.9	Very high	94.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-37.1	179.9	-79.9	-170.9	-77.7	0	0	112.7	E278 L279 N303 L304 N309 Y310 V320 I322 F351	E278-M307 VanDerWaalsContact CA-SD 3.55Å; E278-M307 HydrophobicContact CB-CE 3.81Å; E278-M307 HydrophobicContact CB-CG 3.86Å; E278-M307 HydrophobicContact CB-SD 3.64Å; L279-M307 HydrophobicContact CB-SD 4.18Å; L279-M307 PolarHBondContact N-SD 3.02Å; N303-M307 HydrophobicContact CB-CE 4.38Å; N303-M307 WeakPolarHBondContact O-CB 3.48Å; N303-M307 WeakPolarHBondContact O-CG 3.13Å; N303-M307 PolarHBondContact O-N 3.17Å; L304-M307 HydrophobicContact CD1-CE 3.97Å; L304-M307 HydrophobicContact CG-CE 4.37Å; L304-M307 PolarHBondContact O-N 2.81Å; M307-N309 PolarHBondContact O-N 3.38Å; M307-Y310 WeakPolarHBondContact O-CB 3.3Å; M307-Y310 PolarHBondContact O-N 2.9Å; M307-V320 HydrophobicContact SD-CG1 4.43Å; M307-I322 HydrophobicContact CE-CD1 3.68Å; M307-I322 HydrophobicContact SD-CD1 4.42Å; M307-F351 HydrophobicContact CB-CE1 4.45Å; M307-F351 HydrophobicContact CB-CE2 4.37Å; M307-F351 HydrophobicContact CB-CZ 3.72Å
308	K	94.4	Very high	94.9	Very high	77 Å²	77	60.3 Å²	60.3	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-32.1	177.8	-177.5	178.1	179.3	179.3	0	112.4	L304 W306 Q314 F351	L304-K308 VanDerWaalsContact O-CB 3.25Å; L304-K308 WeakPolarHBondContact O-CB 3.43Å; L304-K308 PolarHBondContact O-N 3.38Å; W306-K308 VanDerWaalsContact C-N 3.28Å; W306-K308 PolarHBondContact O-N 3.42Å; K308-Q314 PolarHBondContact O-NE2 3.38Å; K308-F351 HydrophobicContact CB-CE2 4.19Å; K308-F351 HydrophobicContact CB-CZ 4.37Å
309	N	93.1	Very high	94.9	Very high	129 Å²	129	58.8 Å²	58.8	69%	0.69	31%	0.312	S	S	*	.	H	α-helix	trans	-95.1	-3.1	178.4	-64.3	-57.8	0	0	0	113	E305 W306 M307 S311	E305-N309 PolarHBondContact O-ND2 2.94Å; W306-N309 PolarHBondContact O-N 3.39Å; M307-N309 PolarHBondContact O-N 3.38Å; N309-S311 PolarHBondContact O-N 3.32Å
310	Y	95	Very high	94.9	Very high	31 Å²	31	58.5 Å²	58.5	12%	0.122	31%	0.311	C	S	.	.			trans	-73.9	120.9	178.5	-171.1	-139.7	0	0	0	110	L279 Q281 W306 M307 V312 V313	L279-Y310 WeakPolarHBondContact O-CD1 3.43Å; Q281-Y310 PolarHBondContact OE1-OH 2.85Å; W306-Y310 HydrophobicContact CH2-CD1 4Å; W306-Y310 AromaticContact CH2-CD2 3.96Å; W306-Y310 HydrophobicContact CH2-CD2 3.96Å; W306-Y310 HydrophobicContact CH2-CE1 4.32Å; W306-Y310 HydrophobicContact CH2-CE2 4.29Å; W306-Y310 AromaticContact CH2-CG 3.83Å; W306-Y310 HydrophobicContact CH2-CG 3.83Å; W306-Y310 HydrophobicContact CZ2-CD2 4.11Å; W306-Y310 HydrophobicContact CZ2-CG 4.34Å; W306-Y310 HydrophobicContact CZ3-CD1 4.34Å; W306-Y310 HydrophobicContact CZ3-CG 4.32Å; W306-Y310 PolarHBondContact O-N 3.02Å; M307-Y310 WeakPolarHBondContact O-CB 3.3Å; M307-Y310 PolarHBondContact O-N 2.9Å; Y310-V312 HydrophobicContact CD1-CB 3.86Å; Y310-V312 HydrophobicContact CD1-CG2 4.27Å; Y310-V312 HydrophobicContact CE1-CB 3.58Å; Y310-V312 HydrophobicContact CE1-CG1 4.25Å; Y310-V312 HydrophobicContact CE1-CG2 3.66Å; Y310-V312 HydrophobicContact CE2-CG2 4.02Å; Y310-V312 HydrophobicContact CG-CB 4.48Å; Y310-V312 PolarHBondContact O-N 3.4Å; Y310-V312 VanDerWaalsContact O-N 3.07Å; Y310-V313 HydrophobicContact CD1-CG2 4.14Å; Y310-V313 WeakPolarHBondContact O-CB 3.45Å; Y310-V313 PolarHBondContact O-N 3.24Å
311	S	92.3	Very high	95	Very high	91 Å²	91	55.6 Å²	55.6	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.5	-171.1	55.1	0	0	0	0	114	N309 V313 Q314	N309-S311 PolarHBondContact O-N 3.32Å; S311-V313 VanDerWaalsContact C-N 3.29Å; S311-V313 PolarHBondContact O-N 2.78Å; S311-Q314 WeakPolarHBondContact O-CB 3.28Å; S311-Q314 PolarHBondContact O-N 2.83Å
312	V	91.1	Very high	95	Very high	23 Å²	23	52.4 Å²	52.4	14%	0.139	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-28.6	179.5	177.5	0	0	0	0	112.2	R284 F287 Y310 Q314	R284-V312 HydrophobicContact CG-CG1 4.01Å; R284-V312 VanDerWaalsContact NE-CG2 3.29Å; F287-V312 HydrophobicContact CD1-CG1 4.06Å; F287-V312 HydrophobicContact CE1-CG1 4.16Å; Y310-V312 HydrophobicContact CD1-CB 3.86Å; Y310-V312 HydrophobicContact CD1-CG2 4.27Å; Y310-V312 HydrophobicContact CE1-CB 3.58Å; Y310-V312 HydrophobicContact CE1-CG1 4.25Å; Y310-V312 HydrophobicContact CE1-CG2 3.66Å; Y310-V312 HydrophobicContact CE2-CG2 4.02Å; Y310-V312 HydrophobicContact CG-CB 4.48Å; Y310-V312 PolarHBondContact O-N 3.4Å; Y310-V312 VanDerWaalsContact O-N 3.07Å; V312-Q314 VanDerWaalsContact C-N 3.33Å
313	V	90.3	Very high	95.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-21.1	178.7	178.4	0	0	0	0	111.2	L279 Y310 S311 G315 R316 Q317 V320 F351	L279-V313 HydrophobicContact CD2-CG2 3.9Å; Y310-V313 HydrophobicContact CD1-CG2 4.14Å; Y310-V313 WeakPolarHBondContact O-CB 3.45Å; Y310-V313 PolarHBondContact O-N 3.24Å; S311-V313 VanDerWaalsContact C-N 3.29Å; S311-V313 PolarHBondContact O-N 2.78Å; V313-G315 PolarHBondContact O-N 3.34Å; V313-R316 CarbonylContact O-C 3.57Å; V313-R316 PolarHBondContact O-N 3.2Å; V313-Q317 HydrophobicContact CG1-CB 3.8Å; V313-Q317 HydrophobicContact CG1-CG 3.84Å; V313-Q317 PolarHBondContact O-N 3.01Å; V313-V320 HydrophobicContact CG1-CG2 4.43Å; V313-V320 HydrophobicContact CG2-CG2 4.42Å; V313-F351 HydrophobicContact CG1-CE1 3.79Å; V313-F351 HydrophobicContact CG1-CZ 4.28Å
314	Q	86.4	Confident	95.1	Very high	129 Å²	129	44.1 Å²	44.1	60%	0.603	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	120.9	-178.1	-64.6	-78.5	-34.1	0	0	110.4	K308 S311 V312 R316	K308-Q314 PolarHBondContact O-NE2 3.38Å; S311-Q314 WeakPolarHBondContact O-CB 3.28Å; S311-Q314 PolarHBondContact O-N 2.83Å; V312-Q314 VanDerWaalsContact C-N 3.33Å; Q314-R316 VanDerWaalsContact C-N 3.28Å; Q314-R316 PolarHBondContact O-N 2.91Å
315	G	88.4	Confident	95.1	Very high	85 Å²	85	44.3 Å²	44.3	88%	0.876	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	-14.9	-175.8	0	0	0	0	0	115.3	V313	V313-G315 PolarHBondContact O-N 3.34Å
316	R	94.9	Very high	95.2	Very high	63 Å²	63	39.7 Å²	39.7	24%	0.238	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	20	175.6	-66.1	-167.8	66	-166.8	1.8	113.5	F287 C290 D291 V313 Q314 A318 D319	F287-R316 HydrophobicContact CE1-CB 4.3Å; F287-R316 HydrophobicContact CZ-CB 3.76Å; F287-R316 PolarHBondContact O-NH1 2.78Å; C290-R316 PolarHBondContact O-NH2 3.16Å; D291-R316 PolarHBondContact O-NH2 2.85Å; V313-R316 CarbonylContact O-C 3.57Å; V313-R316 PolarHBondContact O-N 3.2Å; Q314-R316 VanDerWaalsContact C-N 3.28Å; Q314-R316 PolarHBondContact O-N 2.91Å; R316-A318 PolarHBondContact O-N 2.84Å; R316-D319 HydrophobicContact CB-CB 4.37Å; R316-D319 WeakPolarHBondContact CB-OD2 3.48Å; R316-D319 IonicContact CZ-OD2 2.91Å; R316-D319 IonicContact NE-OD2 2.66Å; R316-D319 PolarHBondContact NE-OD2 2.75Å; R316-D319 IonicContact NH2-OD2 3.81Å; R316-D319 WeakPolarHBondContact O-CA 3.08Å; R316-D319 VanDerWaalsContact O-CB 3.27Å; R316-D319 WeakPolarHBondContact O-CB 3.43Å; R316-D319 PolarHBondContact O-N 3.05Å
317	Q	95.9	Very high	95.2	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.22	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60	-35.3	-176.1	-170.5	172.5	-1	0	0	113.2	V313 D319 V320 H349 N350 F351	V313-Q317 HydrophobicContact CG1-CB 3.8Å; V313-Q317 HydrophobicContact CG1-CG 3.84Å; V313-Q317 PolarHBondContact O-N 3.01Å; Q317-D319 PolarHBondContact O-N 2.8Å; Q317-V320 PolarHBondContact O-N 3.26Å; Q317-H349 PolarHBondContact NE2-O 2.71Å; Q317-N350 PolarHBondContact NE2-O 2.83Å; Q317-F351 HydrophobicContact CG-CD1 3.69Å; Q317-F351 HydrophobicContact CG-CE1 3.64Å; Q317-F351 HydrophobicContact CG-CG 4.4Å; Q317-F351 HydrophobicContact CG-CZ 4.29Å
318	A	96.4	Very high	95.2	Very high	14 Å²	14	38 Å²	38	12%	0.116	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-67	-16.4	175.7	0	0	0	0	0	113.4	C115 R316 S352	C115-A318 WeakPolarHBondContact O-CB 3.38Å; R316-A318 PolarHBondContact O-N 2.84Å; A318-S352 WeakPolarHBondContact O-CB 3.23Å; A318-S352 PolarHBondContact O-OG 3.44Å
319	D	98.1	Very high	95.2	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.134	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-89.8	-3.4	179.3	-54.6	-27.4	0	0	0	112.4	R118 F287 D291 G292 F293 R316 Q317 Y321	R118-D319 IonicContact CZ-OD1 2.85Å; R118-D319 IonicContact NH1-OD1 3.72Å; R118-D319 PolarHBondContact NH1-OD1 3.18Å; R118-D319 IonicContact NH2-OD1 2.69Å; R118-D319 PolarHBondContact NH2-OD1 3.03Å; F287-D319 HydrophobicContact CE2-CB 3.98Å; F287-D319 HydrophobicContact CZ-CB 4.29Å; D291-D319 VanDerWaalsContact O-CB 3.3Å; D291-D319 WeakPolarHBondContact O-CB 3.46Å; G292-D319 CarbonylContact C-O 3.54Å; G292-D319 WeakPolarHBondContact CA-O 3.36Å; F293-D319 PolarHBondContact N-O 3.31Å; R316-D319 HydrophobicContact CB-CB 4.37Å; R316-D319 WeakPolarHBondContact CB-OD2 3.48Å; R316-D319 IonicContact CZ-OD2 2.91Å; R316-D319 IonicContact NE-OD2 2.66Å; R316-D319 PolarHBondContact NE-OD2 2.75Å; R316-D319 IonicContact NH2-OD2 3.81Å; R316-D319 WeakPolarHBondContact O-CA 3.08Å; R316-D319 VanDerWaalsContact O-CB 3.27Å; R316-D319 WeakPolarHBondContact O-CB 3.43Å; R316-D319 PolarHBondContact O-N 3.05Å; Q317-D319 PolarHBondContact O-N 2.8Å; D319-Y321 WeakPolarHBondContact O-CD2 3.45Å; D319-Y321 WeakPolarHBondContact O-CE2 3.35Å
320	V	98.5	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109.9	173.6	-177.3	0	0	0	0	109.1	L279 F287 T295 M307 V313 Q317 I322 F351 S352	L279-V320 HydrophobicContact CD2-CG2 3.87Å; F287-V320 HydrophobicContact CE2-CG2 4.19Å; F287-V320 HydrophobicContact CZ-CG2 4.06Å; T295-V320 HydrophobicContact CG2-CG1 4.24Å; M307-V320 HydrophobicContact SD-CG1 4.43Å; V313-V320 HydrophobicContact CG1-CG2 4.43Å; V313-V320 HydrophobicContact CG2-CG2 4.42Å; Q317-V320 PolarHBondContact O-N 3.26Å; V320-I322 HydrophobicContact CG1-CD1 4.01Å; V320-F351 HydrophobicContact CB-CD1 4.01Å; V320-F351 HydrophobicContact CB-CE1 4.16Å; V320-F351 HydrophobicContact CG1-CD1 4.16Å; V320-F351 HydrophobicContact CG1-CE1 4.22Å; V320-S352 WeakPolarHBondContact O-CB 3.45Å; V320-S352 PolarHBondContact O-N 3.46Å
321	Y	98.8	Very high	94.9	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	107.4	-178.1	-57.1	-99.6	0	0	0	109.4	R118 L120 I154 L262 F293 F294 T295 D319 G323	R118-Y321 HydrophobicContact CB-CE1 3.83Å; R118-Y321 VanDerWaalsContact CD-OH 3.27Å; R118-Y321 WeakPolarHBondContact CD-OH 3.42Å; R118-Y321 PolarHBondContact NH1-OH 3.42Å; L120-Y321 HydrophobicContact CB-CD1 3.82Å; L120-Y321 HydrophobicContact CB-CE1 4.13Å; I154-Y321 HydrophobicContact CD1-CE1 3.78Å; I154-Y321 WeakPolarHBondContact CD1-OH 3.39Å; L262-Y321 HydrophobicContact CD1-CE2 4.46Å; L262-Y321 HydrophobicContact CD2-CE2 3.95Å; F293-Y321 PolarHBondContact O-N 3.4Å; F294-Y321 WeakPolarHBondContact CA-O 3.38Å; T295-Y321 PolarHBondContact N-O 3.33Å; D319-Y321 WeakPolarHBondContact O-CD2 3.45Å; D319-Y321 WeakPolarHBondContact O-CE2 3.35Å; Y321-G323 PolarHBondContact O-N 3.3Å
322	I	98.8	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.5	178.6	-52.4	-57.5	0	0	0	109.1	T295 W299 L304 M307 V320 I346 F351 S352 A354	T295-I322 HydrophobicContact CG2-CD1 3.72Å; T295-I322 WeakPolarHBondContact OG1-CA 3.26Å; W299-I322 HydrophobicContact CD2-CG2 3.78Å; W299-I322 HydrophobicContact CG-CG2 3.89Å; W299-I322 HydrophobicContact CZ2-CG2 3.92Å; W299-I322 VanDerWaalsContact NE1-CG2 3.26Å; L304-I322 HydrophobicContact CD1-CG2 4.37Å; M307-I322 HydrophobicContact CE-CD1 3.68Å; M307-I322 HydrophobicContact SD-CD1 4.42Å; V320-I322 HydrophobicContact CG1-CD1 4.01Å; I322-I346 HydrophobicContact CB-CD1 3.76Å; I322-I346 HydrophobicContact CB-CG1 3.79Å; I322-I346 HydrophobicContact CB-CG2 4.13Å; I322-I346 HydrophobicContact CG1-CG1 4.33Å; I322-I346 HydrophobicContact CG1-CG2 4.16Å; I322-I346 HydrophobicContact CG2-CD1 3.71Å; I322-I346 HydrophobicContact CG2-CG1 3.7Å; I322-F351 HydrophobicContact CD1-CB 4.4Å; I322-F351 HydrophobicContact CD1-CD1 4.39Å; I322-F351 HydrophobicContact CD1-CG 4.26Å; I322-F351 HydrophobicContact CG1-CB 3.66Å; I322-F351 HydrophobicContact CG1-CG 4.03Å; I322-S352 PolarHBondContact N-O 2.76Å; I322-A354 PolarHBondContact O-N 2.84Å
323	G	98.4	Very high	95.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.3	-175.3	0	0	0	0	0	113.5	T295 W299 Y321 A354	T295-G323 PolarHBondContact OG1-N 2.89Å; W299-G323 PolarHBondContact NE1-O 2.77Å; Y321-G323 PolarHBondContact O-N 3.3Å; G323-A354 CarbonylContact C-O 3.58Å
324	V	98.6	Very high	95.5	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	105.3	176.7	-176.6	0	0	0	0	108.7	V326 T339 A342 L343 I346 A354 F356	V324-V326 PolarHBondContact O-N 2.83Å; V324-T339 HydrophobicContact CG1-CG2 3.82Å; V324-A342 HydrophobicContact CB-CB 4.3Å; V324-A342 HydrophobicContact CG1-CB 3.55Å; V324-A342 HydrophobicContact CG2-CB 3.74Å; V324-L343 HydrophobicContact CG2-CD2 4.41Å; V324-I346 HydrophobicContact CG2-CD1 3.41Å; V324-I346 VanDerWaalsContact CG2-CD1 3.41Å; V324-A354 PolarHBondContact N-O 3.05Å; V324-F356 PolarHBondContact O-N 3.46Å
325	D	98.1	Very high	95.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	109.2	175.6	-179.8	18.2	0	0	0	111	Y297 F327 G328 R329	Y297-D325 HydrophobicContact CD1-CB 4.13Å; Y297-D325 HydrophobicContact CD2-CB 3.95Å; Y297-D325 HydrophobicContact CG-CB 3.75Å; D325-F327 PolarHBondContact O-N 2.92Å; D325-F327 PolarHBondContact OD1-N 3.23Å; D325-G328 PolarHBondContact O-N 3.18Å; D325-R329 IonicContact OD1-CZ 3.15Å; D325-R329 IonicContact OD1-NE 2.74Å; D325-R329 PolarHBondContact OD1-NE 3.36Å; D325-R329 IonicContact OD1-NH2 3.81Å; D325-R329 PolarHBondContact OD1-NH2 3.25Å; D325-R329 WeakPolarHBondContact OD2-CB 3.43Å; D325-R329 WeakPolarHBondContact OD2-CG 3.47Å; D325-R329 IonicContact OD2-CZ 3.86Å; D325-R329 PolarHBondContact OD2-N 3.2Å; D325-R329 IonicContact OD2-NE 3.94Å; D325-R329 PolarHBondContact OD2-NE 3.23Å; D325-R329 IonicContact OD2-NH2 3.88Å
326	V	98.5	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.8	-179.2	-179.4	0	0	0	0	111.8	V324 G328 M336 T339 I355 F356 P358 W360 F378	V324-V326 PolarHBondContact O-N 2.83Å; V326-G328 PolarHBondContact O-N 3.26Å; V326-M336 WeakPolarHBondContact O-CA 3.5Å; V326-M336 PolarHBondContact O-N 3.26Å; V326-T339 HydrophobicContact CG2-CG2 4.34Å; V326-I355 HydrophobicContact CG2-CG2 3.43Å; V326-I355 VanDerWaalsContact CG2-CG2 3.43Å; V326-F356 WeakPolarHBondContact CB-O 3.25Å; V326-F356 VanDerWaalsContact CG2-O 3.27Å; V326-F356 WeakPolarHBondContact CG2-O 3.49Å; V326-F356 PolarHBondContact N-O 2.85Å; V326-P358 HydrophobicContact CG2-CB 4.37Å; V326-W360 HydrophobicContact CG1-CB 3.95Å; V326-W360 HydrophobicContact CG1-CD2 4.19Å; V326-W360 HydrophobicContact CG1-CE3 3.77Å; V326-W360 HydrophobicContact CG1-CG 4.28Å; V326-F378 HydrophobicContact CG1-CE2 3.7Å; V326-F378 HydrophobicContact CG1-CZ 3.8Å; V326-F378 HydrophobicContact CG2-CZ 3.9Å
327	F	97.3	Very high	96.4	Very high	49 Å²	49	39.8 Å²	39.8	22%	0.215	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.2	172.4	-82.8	-97.4	0	0	0	112.9	D325 R329 M336 A357 W360 E363	D325-F327 PolarHBondContact O-N 2.92Å; D325-F327 PolarHBondContact OD1-N 3.23Å; F327-R329 HydrophobicContact CB-CG 3.88Å; F327-M336 VanDerWaalsContact O-CE 3.29Å; F327-M336 WeakPolarHBondContact O-CE 3.29Å; F327-A357 HydrophobicContact CD2-CB 3.59Å; F327-A357 HydrophobicContact CE2-CB 3.75Å; F327-A357 WeakPolarHBondContact CE2-O 3.4Å; F327-W360 HydrophobicContact CD1-CB 4.26Å; F327-W360 AromaticContact CD1-CD1 3.59Å; F327-W360 HydrophobicContact CD1-CG 4.3Å; F327-W360 HydrophobicContact CD2-CB 3.72Å; F327-W360 HydrophobicContact CD2-CG 4.47Å; F327-W360 HydrophobicContact CE1-CB 4.16Å; F327-W360 AromaticContact CE1-CD1 3.8Å; F327-W360 HydrophobicContact CE1-CG 4.41Å; F327-W360 HydrophobicContact CE2-CB 3.61Å; F327-W360 HydrophobicContact CG-CB 4.06Å; F327-W360 AromaticContact CG-CD1 3.97Å; F327-W360 HydrophobicContact CG-CG 4.34Å; F327-W360 HydrophobicContact CZ-CB 3.84Å; F327-E363 HydrophobicContact CZ-CB 4.3Å
328	G	95.9	Very high	96.5	Very high	24 Å²	24	42.2 Å²	42.2	25%	0.247	23%	0.233	C	C	.	.			trans	71.6	30	-179.4	0	0	0	0	0	113.7	D325 V326	D325-G328 PolarHBondContact O-N 3.18Å; V326-G328 PolarHBondContact O-N 3.26Å
329	R	93.7	Very high	96.6	Very high	114 Å²	114	41.5 Å²	41.5	43%	0.43	23%	0.227	S	C	.	.			trans	-79.9	131	-176.1	-59.6	163.6	-76.2	-159.4	-12.9	110.2	D325 F327 V332 F356	D325-R329 IonicContact OD1-CZ 3.15Å; D325-R329 IonicContact OD1-NE 2.74Å; D325-R329 PolarHBondContact OD1-NE 3.36Å; D325-R329 IonicContact OD1-NH2 3.81Å; D325-R329 PolarHBondContact OD1-NH2 3.25Å; D325-R329 WeakPolarHBondContact OD2-CB 3.43Å; D325-R329 WeakPolarHBondContact OD2-CG 3.47Å; D325-R329 IonicContact OD2-CZ 3.86Å; D325-R329 PolarHBondContact OD2-N 3.2Å; D325-R329 IonicContact OD2-NE 3.94Å; D325-R329 PolarHBondContact OD2-NE 3.23Å; D325-R329 IonicContact OD2-NH2 3.88Å; F327-R329 HydrophobicContact CB-CG 3.88Å; R329-V332 WeakPolarHBondContact O-CG1 3.31Å; R329-F356 VanDerWaalsContact NH2-CE1 3.26Å
330	G	90.1	Very high	96.6	Very high	65 Å²	65	42.1 Å²	42.1	67%	0.67	23%	0.23	S	C	*	.	S	Bend	trans	89.4	-149	177.9	0	0	0	0	0	113.3
331	K	92.8	Very high	96.6	Very high	185 Å²	185	46.6 Å²	46.6	80%	0.804	25%	0.25	S	C	*	.	S	Bend	trans	-104.4	69	-178.7	-66.9	-176.1	-178.5	-179.9	0	109.6	N298	N298-K331 PolarHBondContact ND2-N 2.57Å
332	V	95.5	Very high	96.6	Very high	32 Å²	32	46.6 Å²	46.6	19%	0.194	25%	0.25	C	C	.	.			trans	-101.1	160.3	-175	-64.2	0	0	0	0	111.7	R329 G334	R329-V332 WeakPolarHBondContact O-CG1 3.31Å; V332-G334 WeakPolarHBondContact CG2-O 3.42Å; V332-G334 PolarHBondContact O-N 2.77Å
333	V	96	Very high	96.6	Very high	46 Å²	46	46.6 Å²	46.6	28%	0.279	25%	0.25	S	C	.	.	S	Bend	trans	-83.2	92.2	174.1	-178.2	0	0	0	0	109.3	W299 A342 V345	W299-V333 HydrophobicContact CE3-CG2 4.14Å; W299-V333 HydrophobicContact CH2-CB 3.8Å; W299-V333 HydrophobicContact CH2-CG1 4.22Å; W299-V333 HydrophobicContact CH2-CG2 3.81Å; W299-V333 HydrophobicContact CZ2-CB 4.19Å; W299-V333 HydrophobicContact CZ2-CG2 4.36Å; W299-V333 HydrophobicContact CZ3-CB 4.21Å; W299-V333 HydrophobicContact CZ3-CG2 3.68Å; V333-A342 VanDerWaalsContact O-CB 3.26Å; V333-A342 WeakPolarHBondContact O-CB 3.39Å; V333-V345 HydrophobicContact CG1-CG2 4.48Å
334	G	94.8	Very high	96.6	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	27%	0.269	C	S	.	.			trans	76.1	-149.7	-177.7	0	0	0	0	0	112.7	V332	V332-G334 WeakPolarHBondContact CG2-O 3.42Å; V332-G334 PolarHBondContact O-N 2.77Å
335	G	95.4	Very high	96.5	Very high	4 Å²	4	51 Å²	51	4%	0.041	27%	0.274	C	S	.	.			trans	128.2	170.6	-168.2	0	0	0	0	0	110	L337 E338 T339	G335-L337 PolarHBondContact O-N 2.78Å; G335-E338 CarbonylContact O-C 3.57Å; G335-E338 VanDerWaalsContact O-CA 3.31Å; G335-E338 WeakPolarHBondContact O-CA 3.48Å; G335-E338 WeakPolarHBondContact O-CB 3.34Å; G335-E338 PolarHBondContact O-N 3.39Å; G335-T339 PolarHBondContact O-N 3.14Å
336	M	96.9	Very high	96.6	Very high	88 Å²	88	50.8 Å²	50.8	43%	0.433	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	52.4	-130.9	-177.3	-52.9	180	-160.3	0	0	110.6	V326 F327 E338 T339 W360	V326-M336 WeakPolarHBondContact O-CA 3.5Å; V326-M336 PolarHBondContact O-N 3.26Å; F327-M336 VanDerWaalsContact O-CE 3.29Å; F327-M336 WeakPolarHBondContact O-CE 3.29Å; M336-E338 PolarHBondContact O-N 3.35Å; M336-T339 PolarHBondContact N-OG1 3.19Å; M336-T339 WeakPolarHBondContact O-CB 3.5Å; M336-T339 PolarHBondContact O-N 3.43Å; M336-T339 PolarHBondContact O-OG1 3.29Å; M336-W360 HydrophobicContact CB-CD2 4.47Å; M336-W360 HydrophobicContact CB-CH2 3.55Å; M336-W360 HydrophobicContact CB-CZ2 3.43Å; M336-W360 VanDerWaalsContact CB-CZ2 3.43Å; M336-W360 HydrophobicContact CB-CZ3 4.1Å; M336-W360 HydrophobicContact CG-CD2 4.34Å; M336-W360 HydrophobicContact CG-CH2 4.2Å; M336-W360 HydrophobicContact CG-CZ2 3.56Å; M336-W360 HydrophobicContact SD-CZ2 4.1Å
337	L	96.6	Very high	96.5	Very high	109 Å²	109	51.2 Å²	51.2	57%	0.571	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-79.2	13.1	173.4	-61.1	-179.4	0	0	0	114.4	G335 W360 L381	G335-L337 PolarHBondContact O-N 2.78Å; L337-W360 HydrophobicContact CD2-CH2 4.41Å; L337-W360 HydrophobicContact CD2-CZ3 4.33Å; L337-W360 HydrophobicContact CG-CH2 4.1Å; L337-W360 HydrophobicContact CG-CZ3 4.49Å; L337-L381 VanDerWaalsContact C-CD2 3.48Å; L337-L381 HydrophobicContact CB-CD2 4.42Å; L337-L381 WeakPolarHBondContact O-CD2 3.15Å
338	E	97.7	Very high	96.4	Very high	98 Å²	98	55 Å²	55	46%	0.458	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-114.8	11.4	169.7	-53.1	-158.5	127.1	0	0	112.1	G335 M336 N340 K341	G335-E338 CarbonylContact O-C 3.57Å; G335-E338 VanDerWaalsContact O-CA 3.31Å; G335-E338 WeakPolarHBondContact O-CA 3.48Å; G335-E338 WeakPolarHBondContact O-CB 3.34Å; G335-E338 PolarHBondContact O-N 3.39Å; M336-E338 PolarHBondContact O-N 3.35Å; E338-N340 VanDerWaalsContact C-OD1 3.25Å; E338-N340 WeakPolarHBondContact CA-OD1 3.42Å; E338-N340 PolarHBondContact O-N 2.97Å; E338-N340 VanDerWaalsContact O-N 3.15Å; E338-N340 PolarHBondContact O-OD1 2.92Å; E338-K341 HydrophobicContact CB-CD 4.09Å; E338-K341 HydrophobicContact CB-CG 4.42Å; E338-K341 WeakPolarHBondContact O-CB 3.32Å; E338-K341 WeakPolarHBondContact O-CG 3.47Å; E338-K341 PolarHBondContact O-N 2.95Å; E338-K341 WeakPolarHBondContact OE1-CE 3.35Å; E338-K341 IonicContact OE1-NZ 3.73Å; E338-K341 PolarHBondContact OE1-NZ 2.9Å; E338-K341 IonicContact OE2-NZ 3.09Å; E338-K341 PolarHBondContact OE2-NZ 3.06Å
339	T	98.3	Very high	96.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.6	-27.6	178.6	-63.7	0	0	0	0	112.7	V324 V326 G335 M336 K341 A342 L343 F378 L382	V324-T339 HydrophobicContact CG1-CG2 3.82Å; V326-T339 HydrophobicContact CG2-CG2 4.34Å; G335-T339 PolarHBondContact O-N 3.14Å; M336-T339 PolarHBondContact N-OG1 3.19Å; M336-T339 WeakPolarHBondContact O-CB 3.5Å; M336-T339 PolarHBondContact O-N 3.43Å; M336-T339 PolarHBondContact O-OG1 3.29Å; T339-K341 PolarHBondContact O-N 3.04Å; T339-A342 WeakPolarHBondContact O-CB 3.44Å; T339-A342 PolarHBondContact O-N 3.1Å; T339-L343 PolarHBondContact O-N 3.39Å; T339-F378 HydrophobicContact CG2-CE2 4.31Å; T339-F378 HydrophobicContact CG2-CZ 4.11Å; T339-L382 HydrophobicContact CG2-CD1 4.19Å; T339-L382 HydrophobicContact CG2-CD2 3.77Å
340	N	98.1	Very high	96.5	Very high	37 Å²	37	52.5 Å²	52.5	20%	0.198	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-30.9	173.2	59.8	-32	0	0	0	113.6	E338 A342 L343 D344 L381 L382 Y385	E338-N340 VanDerWaalsContact C-OD1 3.25Å; E338-N340 WeakPolarHBondContact CA-OD1 3.42Å; E338-N340 PolarHBondContact O-N 2.97Å; E338-N340 VanDerWaalsContact O-N 3.15Å; E338-N340 PolarHBondContact O-OD1 2.92Å; N340-A342 VanDerWaalsContact C-N 3.29Å; N340-A342 PolarHBondContact O-N 3.06Å; N340-L343 PolarHBondContact O-N 2.69Å; N340-D344 PolarHBondContact O-N 3.32Å; N340-L381 HydrophobicContact CB-CD1 4.14Å; N340-L381 HydrophobicContact CB-CG 3.94Å; N340-L381 WeakPolarHBondContact ND2-CD1 3.41Å; N340-L382 HydrophobicContact CB-CD2 4.01Å; N340-Y385 HydrophobicContact CB-CD2 4.3Å; N340-Y385 HydrophobicContact CB-CE2 3.83Å
341	K	98.4	Very high	96.9	Very high	94 Å²	94	49.4 Å²	49.4	41%	0.409	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-39.6	177.1	-61.6	-177.5	-174.2	170.7	0	111.4	E338 T339 V345	E338-K341 HydrophobicContact CB-CD 4.09Å; E338-K341 HydrophobicContact CB-CG 4.42Å; E338-K341 WeakPolarHBondContact O-CB 3.32Å; E338-K341 WeakPolarHBondContact O-CG 3.47Å; E338-K341 PolarHBondContact O-N 2.95Å; E338-K341 WeakPolarHBondContact OE1-CE 3.35Å; E338-K341 IonicContact OE1-NZ 3.73Å; E338-K341 PolarHBondContact OE1-NZ 2.9Å; E338-K341 IonicContact OE2-NZ 3.09Å; E338-K341 PolarHBondContact OE2-NZ 3.06Å; T339-K341 PolarHBondContact O-N 3.04Å; K341-V345 WeakPolarHBondContact O-CG2 3.28Å; K341-V345 PolarHBondContact O-N 2.78Å
342	A	98.3	Very high	97.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-50.1	174.9	0	0	0	0	0	110.6	W299 V324 V333 T339 N340 D344 V345 I346	W299-A342 HydrophobicContact CH2-CB 4.5Å; W299-A342 HydrophobicContact CZ2-CB 4.18Å; V324-A342 HydrophobicContact CB-CB 4.3Å; V324-A342 HydrophobicContact CG1-CB 3.55Å; V324-A342 HydrophobicContact CG2-CB 3.74Å; V333-A342 VanDerWaalsContact O-CB 3.26Å; V333-A342 WeakPolarHBondContact O-CB 3.39Å; T339-A342 WeakPolarHBondContact O-CB 3.44Å; T339-A342 PolarHBondContact O-N 3.1Å; N340-A342 VanDerWaalsContact C-N 3.29Å; N340-A342 PolarHBondContact O-N 3.06Å; A342-D344 VanDerWaalsContact C-N 3.34Å; A342-D344 PolarHBondContact O-N 3.34Å; A342-V345 PolarHBondContact O-N 3.31Å; A342-I346 WeakPolarHBondContact O-CD1 3.35Å; A342-I346 VanDerWaalsContact O-CG1 3.22Å; A342-I346 WeakPolarHBondContact O-CG1 3.36Å; A342-I346 PolarHBondContact O-N 3.47Å
343	L	98.3	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-39.4	-177.9	-66.9	-170.6	0	0	0	112.3	V324 T339 N340 V345 I346 R347 A353 I355 L382 Y385 L386	V324-L343 HydrophobicContact CG2-CD2 4.41Å; T339-L343 PolarHBondContact O-N 3.39Å; N340-L343 PolarHBondContact O-N 2.69Å; L343-V345 PolarHBondContact O-N 2.74Å; L343-I346 PolarHBondContact O-N 3.33Å; L343-R347 VanDerWaalsContact O-CB 3.29Å; L343-R347 WeakPolarHBondContact O-CB 3.25Å; L343-R347 WeakPolarHBondContact O-CG 3.16Å; L343-R347 PolarHBondContact O-N 3.09Å; L343-A353 HydrophobicContact CD2-CB 3.53Å; L343-I355 HydrophobicContact CD1-CD1 4.41Å; L343-I355 HydrophobicContact CD2-CG1 4.45Å; L343-L382 HydrophobicContact CD1-CB 3.9Å; L343-L382 HydrophobicContact CD1-CD1 4.16Å; L343-L382 HydrophobicContact CD1-CD2 3.83Å; L343-L382 HydrophobicContact CD1-CG 4.15Å; L343-Y385 HydrophobicContact CB-CD2 4.17Å; L343-Y385 HydrophobicContact CB-CG 3.87Å; L343-L386 HydrophobicContact CD1-CD2 4.01Å; L343-L386 HydrophobicContact CD1-CG 4.43Å
344	D	98.3	Very high	97.4	Very high	77 Å²	77	36.9 Å²	36.9	41%	0.412	19%	0.187	S	C	.	.	H	α-helix	trans	-54.3	-53.3	175.6	-177.1	35.4	0	0	0	111.5	N340 A342 I346 R347 K348 Y385	N340-D344 PolarHBondContact O-N 3.32Å; A342-D344 VanDerWaalsContact C-N 3.34Å; A342-D344 PolarHBondContact O-N 3.34Å; D344-I346 PolarHBondContact O-N 3.33Å; D344-R347 PolarHBondContact O-N 3.41Å; D344-K348 VanDerWaalsContact O-CB 3.28Å; D344-K348 WeakPolarHBondContact O-CB 3.29Å; D344-K348 PolarHBondContact O-N 3.06Å; D344-Y385 HydrophobicContact CB-CD1 4.17Å; D344-Y385 HydrophobicContact CB-CE1 3.44Å; D344-Y385 VanDerWaalsContact CB-CE1 3.44Å; D344-Y385 WeakPolarHBondContact OD1-CE1 3.28Å
345	V	98.3	Very high	97.6	Very high	21 Å²	21	35.8 Å²	35.8	13%	0.127	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-46.7	179.7	-177	0	0	0	0	111	W299 E301 L304 V333 K341 A342 L343 R347 K348 H349	W299-V345 HydrophobicContact CH2-CB 4.25Å; W299-V345 HydrophobicContact CH2-CG1 4.37Å; W299-V345 HydrophobicContact CZ3-CB 4.33Å; W299-V345 HydrophobicContact CZ3-CG1 3.96Å; E301-V345 HydrophobicContact CB-CG1 4.05Å; E301-V345 HydrophobicContact CG-CG1 3.79Å; L304-V345 HydrophobicContact CD2-CG1 4.04Å; V333-V345 HydrophobicContact CG1-CG2 4.48Å; K341-V345 WeakPolarHBondContact O-CG2 3.28Å; K341-V345 PolarHBondContact O-N 2.78Å; A342-V345 PolarHBondContact O-N 3.31Å; L343-V345 PolarHBondContact O-N 2.74Å; V345-R347 PolarHBondContact O-N 3.41Å; V345-K348 PolarHBondContact O-N 2.7Å; V345-H349 PolarHBondContact O-CD2 2.82Å; V345-H349 VanDerWaalsContact O-CD2 3.24Å; V345-H349 PolarHBondContact O-N 3.18Å
346	I	98.4	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-46.8	179.2	-67.5	165	0	0	0	111.1	W299 L304 I322 V324 A342 L343 D344 H349 N350 F351 S352 A353	W299-I346 HydrophobicContact CH2-CD1 4.29Å; W299-I346 HydrophobicContact CH2-CG1 3.93Å; W299-I346 HydrophobicContact CZ2-CD1 3.78Å; W299-I346 HydrophobicContact CZ2-CG1 3.87Å; L304-I346 HydrophobicContact CD2-CG1 4.26Å; I322-I346 HydrophobicContact CB-CD1 3.76Å; I322-I346 HydrophobicContact CB-CG1 3.79Å; I322-I346 HydrophobicContact CB-CG2 4.13Å; I322-I346 HydrophobicContact CG1-CG1 4.33Å; I322-I346 HydrophobicContact CG1-CG2 4.16Å; I322-I346 HydrophobicContact CG2-CD1 3.71Å; I322-I346 HydrophobicContact CG2-CG1 3.7Å; V324-I346 HydrophobicContact CG2-CD1 3.41Å; V324-I346 VanDerWaalsContact CG2-CD1 3.41Å; A342-I346 WeakPolarHBondContact O-CD1 3.35Å; A342-I346 VanDerWaalsContact O-CG1 3.22Å; A342-I346 WeakPolarHBondContact O-CG1 3.36Å; A342-I346 PolarHBondContact O-N 3.47Å; L343-I346 PolarHBondContact O-N 3.33Å; D344-I346 PolarHBondContact O-N 3.33Å; I346-H349 PolarHBondContact O-N 2.9Å; I346-N350 PolarHBondContact O-N 3Å; I346-F351 HydrophobicContact CG2-CB 3.91Å; I346-F351 PolarHBondContact O-N 2.76Å; I346-F351 VanDerWaalsContact O-N 3.17Å; I346-S352 WeakPolarHBondContact CG2-O 3.47Å; I346-A353 HydrophobicContact CD1-CB 4.25Å; I346-A353 HydrophobicContact CG2-CB 4.13Å
347	R	96.9	Very high	97.8	Very high	9 Å²	9	32 Å²	32	3%	0.034	16%	0.156	C	C	.	.	H	α-helix	trans	-72.8	-32.2	-176.6	-65.8	-52.7	-175.7	-152.6	-0.6	112.7	R117 R118 T119 L343 D344 V345 H349 N350 F351 Y385	R117-R347 PolarHBondContact NH1-O 2.98Å; R118-R347 PolarHBondContact O-NH1 3.46Å; R118-R347 PolarHBondContact O-NH2 3.38Å; T119-R347 PolarHBondContact OG1-NH2 2.94Å; L343-R347 VanDerWaalsContact O-CB 3.29Å; L343-R347 WeakPolarHBondContact O-CB 3.25Å; L343-R347 WeakPolarHBondContact O-CG 3.16Å; L343-R347 PolarHBondContact O-N 3.09Å; D344-R347 PolarHBondContact O-N 3.41Å; V345-R347 PolarHBondContact O-N 3.41Å; R347-H349 PolarHBondContact O-N 3.39Å; R347-N350 PolarHBondContact O-N 3.41Å; R347-N350 VanDerWaalsContact O-N 3.11Å; R347-F351 PolarHBondContact NH1-O 3.25Å; R347-Y385 PolarHBondContact NE-O 3.09Å
348	K	96.7	Very high	97.8	Very high	128 Å²	128	27 Å²	27	56%	0.557	13%	0.13	S	C	*	.	H	α-helix	trans	-59.6	-33	170.8	179	-173.6	170.9	-158.6	0	112.1	E301 D344 V345	E301-K348 IonicContact OE1-NZ 3.01Å; E301-K348 PolarHBondContact OE1-NZ 3.47Å; D344-K348 VanDerWaalsContact O-CB 3.28Å; D344-K348 WeakPolarHBondContact O-CB 3.29Å; D344-K348 PolarHBondContact O-N 3.06Å; V345-K348 PolarHBondContact O-N 2.7Å
349	H	96.3	Very high	97.8	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.051	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.6	176.5	-71.1	-71.4	0	0	0	114.4	E301 L304 E305 Q317 V345 I346 R347 F351	E301-H349 VanDerWaalsContact CG-NE2 3.35Å; E301-H349 WeakPolarHBondContact CG-NE2 3.11Å; E301-H349 IonicContact OE1-CD2 3.68Å; E301-H349 IonicContact OE1-CE1 3.65Å; E301-H349 IonicContact OE1-NE2 3.35Å; E301-H349 PolarHBondContact OE1-NE2 3.16Å; L304-H349 HydrophobicContact CB-CB 4.22Å; L304-H349 HydrophobicContact CD2-CB 4.35Å; E305-H349 VanDerWaalsContact CG-CE1 3.46Å; E305-H349 WeakPolarHBondContact CG-CE1 3.33Å; Q317-H349 PolarHBondContact NE2-O 2.71Å; V345-H349 PolarHBondContact O-CD2 2.82Å; V345-H349 VanDerWaalsContact O-CD2 3.24Å; V345-H349 PolarHBondContact O-N 3.18Å; I346-H349 PolarHBondContact O-N 2.9Å; R347-H349 PolarHBondContact O-N 3.39Å; H349-F351 VanDerWaalsContact C-N 3.35Å; H349-F351 HydrophobicContact CB-CD2 3.82Å; H349-F351 HydrophobicContact CB-CE2 4.15Å
350	N	95.1	Very high	97.7	Very high	75 Å²	75	23.9 Å²	23.9	40%	0.401	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	25.8	179.3	-62.7	-42	0	0	0	116.2	Q317 I346 R347	Q317-N350 PolarHBondContact NE2-O 2.83Å; I346-N350 PolarHBondContact O-N 3Å; R347-N350 PolarHBondContact O-N 3.41Å; R347-N350 VanDerWaalsContact O-N 3.11Å
351	F	97.7	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.			trans	-88.6	161.8	175	-75.3	-76.4	0	0	0	113.2	L304 M307 K308 V313 Q317 V320 I322 I346 R347 H349	L304-F351 HydrophobicContact CB-CE2 4.43Å; L304-F351 HydrophobicContact CG-CD2 4.33Å; M307-F351 HydrophobicContact CB-CE1 4.45Å; M307-F351 HydrophobicContact CB-CE2 4.37Å; M307-F351 HydrophobicContact CB-CZ 3.72Å; K308-F351 HydrophobicContact CB-CE2 4.19Å; K308-F351 HydrophobicContact CB-CZ 4.37Å; V313-F351 HydrophobicContact CG1-CE1 3.79Å; V313-F351 HydrophobicContact CG1-CZ 4.28Å; Q317-F351 HydrophobicContact CG-CD1 3.69Å; Q317-F351 HydrophobicContact CG-CE1 3.64Å; Q317-F351 HydrophobicContact CG-CG 4.4Å; Q317-F351 HydrophobicContact CG-CZ 4.29Å; V320-F351 HydrophobicContact CB-CD1 4.01Å; V320-F351 HydrophobicContact CB-CE1 4.16Å; V320-F351 HydrophobicContact CG1-CD1 4.16Å; V320-F351 HydrophobicContact CG1-CE1 4.22Å; I322-F351 HydrophobicContact CD1-CB 4.4Å; I322-F351 HydrophobicContact CD1-CD1 4.39Å; I322-F351 HydrophobicContact CD1-CG 4.26Å; I322-F351 HydrophobicContact CG1-CB 3.66Å; I322-F351 HydrophobicContact CG1-CG 4.03Å; I346-F351 HydrophobicContact CG2-CB 3.91Å; I346-F351 PolarHBondContact O-N 2.76Å; I346-F351 VanDerWaalsContact O-N 3.17Å; R347-F351 PolarHBondContact NH1-O 3.25Å; H349-F351 VanDerWaalsContact C-N 3.35Å; H349-F351 HydrophobicContact CB-CD2 3.82Å; H349-F351 HydrophobicContact CB-CE2 4.15Å
352	S	98.5	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	157.9	163.7	-66	0	0	0	0	110.4	R118 A318 V320 I322 I346	R118-S352 WeakPolarHBondContact CB-OG 3.32Å; R118-S352 PolarHBondContact N-OG 3.3Å; R118-S352 CarbonylContact O-C 3.56Å; R118-S352 VanDerWaalsContact O-CA 3.29Å; R118-S352 WeakPolarHBondContact O-CA 3.49Å; R118-S352 WeakPolarHBondContact O-CB 3.12Å; A318-S352 WeakPolarHBondContact O-CB 3.23Å; A318-S352 PolarHBondContact O-OG 3.44Å; V320-S352 WeakPolarHBondContact O-CB 3.45Å; V320-S352 PolarHBondContact O-N 3.46Å; I322-S352 PolarHBondContact N-O 2.76Å; I346-S352 WeakPolarHBondContact CG2-O 3.47Å
353	A	98.6	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.4	179.2	0	0	0	0	0	110	R118 T119 L120 L343 I346	R118-A353 PolarHBondContact O-N 3.37Å; T119-A353 WeakPolarHBondContact CA-O 3.12Å; L120-A353 PolarHBondContact N-O 3.17Å; L343-A353 HydrophobicContact CD2-CB 3.53Å; I346-A353 HydrophobicContact CD1-CB 4.25Å; I346-A353 HydrophobicContact CG2-CB 4.13Å
354	A	98.6	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	102.9	168.3	0	0	0	0	0	109.4	L120 F294 I322 G323 V324 F356	L120-A354 HydrophobicContact CB-CB 4.24Å; L120-A354 HydrophobicContact CD2-CB 3.81Å; L120-A354 CarbonylContact O-C 3.49Å; L120-A354 WeakPolarHBondContact O-CA 3.21Å; F294-A354 HydrophobicContact CD1-CB 4.07Å; F294-A354 HydrophobicContact CD2-CB 3.65Å; F294-A354 HydrophobicContact CE1-CB 3.81Å; F294-A354 HydrophobicContact CE2-CB 3.42Å; F294-A354 VanDerWaalsContact CE2-CB 3.42Å; F294-A354 HydrophobicContact CG-CB 4.02Å; F294-A354 HydrophobicContact CZ-CB 3.5Å; F294-A354 VanDerWaalsContact CZ-CB 3.5Å; I322-A354 PolarHBondContact O-N 2.84Å; G323-A354 CarbonylContact C-O 3.58Å; V324-A354 PolarHBondContact N-O 3.05Å; A354-F356 PolarHBondContact O-N 3.49Å
355	I	98.7	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	106.2	176.2	-57.5	172.6	0	0	0	107.5	T119 L120 V121 S122 V326 L343 P358 W379 L382	T119-I355 HydrophobicContact CG2-CD1 3.98Å; L120-I355 PolarHBondContact O-N 3.22Å; V121-I355 WeakPolarHBondContact CA-O 3.47Å; V121-I355 HydrophobicContact CG2-CB 4.39Å; S122-I355 PolarHBondContact N-O 3.32Å; V326-I355 HydrophobicContact CG2-CG2 3.43Å; V326-I355 VanDerWaalsContact CG2-CG2 3.43Å; L343-I355 HydrophobicContact CD1-CD1 4.41Å; L343-I355 HydrophobicContact CD2-CG1 4.45Å; I355-P358 HydrophobicContact CG2-CB 4.44Å; I355-W379 HydrophobicContact CD1-CH2 4.23Å; I355-W379 HydrophobicContact CD1-CZ3 4.15Å; I355-L382 HydrophobicContact CD1-CD1 3.98Å
356	F	98.5	Very high	96.6	Very high	12 Å²	12	28.6 Å²	28.6	5%	0.053	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.1	-178.6	-177.3	-108	0	0	0	111.4	D124 F158 F294 Y297 V324 V326 R329 A354 P358	D124-F356 HydrophobicContact CB-CE2 4.1Å; D124-F356 HydrophobicContact CB-CZ 4.09Å; F158-F356 HydrophobicContact CD1-CE2 4.18Å; F158-F356 HydrophobicContact CD1-CZ 4.5Å; F158-F356 HydrophobicContact CD2-CE2 4.48Å; F158-F356 HydrophobicContact CE1-CE2 4.17Å; F158-F356 HydrophobicContact CE1-CZ 4.19Å; F158-F356 HydrophobicContact CE2-CE2 4.46Å; F158-F356 HydrophobicContact CG-CE2 4.34Å; F158-F356 HydrophobicContact CZ-CE2 4.31Å; F158-F356 HydrophobicContact CZ-CZ 4.48Å; F294-F356 HydrophobicContact CZ-CB 4.21Å; F294-F356 HydrophobicContact CZ-CD2 4.38Å; Y297-F356 HydrophobicContact CD1-CB 4.43Å; Y297-F356 HydrophobicContact CE1-CB 3.63Å; Y297-F356 AromaticContact CE1-CD1 3.9Å; Y297-F356 HydrophobicContact CE1-CD1 3.9Å; Y297-F356 HydrophobicContact CE1-CD2 4.48Å; Y297-F356 AromaticContact CE1-CG 3.75Å; Y297-F356 HydrophobicContact CE1-CG 3.75Å; Y297-F356 HydrophobicContact CE2-CD1 4.02Å; Y297-F356 HydrophobicContact CE2-CE1 4.23Å; Y297-F356 AromaticContact CZ-CD1 3.43Å; Y297-F356 VanDerWaalsContact CZ-CD1 3.43Å; Y297-F356 AromaticContact CZ-CE1 3.87Å; Y297-F356 AromaticContact CZ-CG 3.64Å; Y297-F356 WeakPolarHBondContact OH-CD1 3.18Å; Y297-F356 WeakPolarHBondContact OH-CD2 3.29Å; Y297-F356 VanDerWaalsContact OH-CE1 3.28Å; Y297-F356 WeakPolarHBondContact OH-CE1 3.15Å; Y297-F356 VanDerWaalsContact OH-CG 3.22Å; Y297-F356 WeakPolarHBondContact OH-CG 3.47Å; Y297-F356 WeakPolarHBondContact OH-CZ 3.23Å; V324-F356 PolarHBondContact O-N 3.46Å; V326-F356 WeakPolarHBondContact CB-O 3.25Å; V326-F356 VanDerWaalsContact CG2-O 3.27Å; V326-F356 WeakPolarHBondContact CG2-O 3.49Å; V326-F356 PolarHBondContact N-O 2.85Å; R329-F356 VanDerWaalsContact NH2-CE1 3.26Å; A354-F356 PolarHBondContact O-N 3.49Å; F356-P358 VanDerWaalsContact C-CD 3.46Å
357	A	97.4	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.			trans	56.8	45.6	173.6	0	0	0	0	0	115.9	S122 H123 D124 F327 G359 W360	S122-A357 PolarHBondContact O-N 3.05Å; H123-A357 WeakPolarHBondContact O-CA 3.48Å; D124-A357 HydrophobicContact CB-CB 3.77Å; F327-A357 HydrophobicContact CD2-CB 3.59Å; F327-A357 HydrophobicContact CE2-CB 3.75Å; F327-A357 WeakPolarHBondContact CE2-O 3.4Å; A357-G359 PolarHBondContact O-N 3.01Å; A357-W360 WeakPolarHBondContact O-CB 3.39Å; A357-W360 PolarHBondContact O-N 2.94Å; A357-W360 VanDerWaalsContact O-N 3.1Å
358	P	97.6	Very high	96.2	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.019	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.2	168	31.8	-37.3	0	0	0	113.1	V121 S122 H123 V326 I355 F356 W360 V361 F378	V121-P358 HydrophobicContact CG1-CG 3.77Å; S122-P358 WeakPolarHBondContact O-CD 3.45Å; H123-P358 WeakPolarHBondContact O-CD 3.33Å; V326-P358 HydrophobicContact CG2-CB 4.37Å; I355-P358 HydrophobicContact CG2-CB 4.44Å; F356-P358 VanDerWaalsContact C-CD 3.46Å; P358-W360 PolarHBondContact O-N 3.04Å; P358-V361 WeakPolarHBondContact O-CB 3.35Å; P358-V361 WeakPolarHBondContact O-CG2 3.48Å; P358-V361 PolarHBondContact O-N 3.15Å; P358-F378 HydrophobicContact CB-CE1 4.3Å
359	G	96.6	Very high	95.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-28.3	161.9	0	0	0	0	0	113.3	H123 A357 V361 Y362 E363	H123-G359 PolarHBondContact O-N 3.4Å; H123-G359 VanDerWaalsContact O-N 3.14Å; A357-G359 PolarHBondContact O-N 3.01Å; G359-V361 PolarHBondContact O-N 3.23Å; G359-V361 VanDerWaalsContact O-N 3.09Å; G359-Y362 WeakPolarHBondContact O-CA 3.04Å; G359-Y362 WeakPolarHBondContact O-CB 3.41Å; G359-Y362 PolarHBondContact O-N 3.39Å; G359-E363 WeakPolarHBondContact O-CG 3.36Å; G359-E363 PolarHBondContact O-N 3.2Å
360	W	97.2	Very high	95.8	Very high	34 Å²	34	36.4 Å²	36.4	13%	0.129	20%	0.202	C	C	.	.	H	α-helix	trans	-45.6	-40.9	169.5	175.3	78.9	0	0	0	114.1	V326 F327 M336 L337 A357 P358 Y362 E363 S364	V326-W360 HydrophobicContact CG1-CB 3.95Å; V326-W360 HydrophobicContact CG1-CD2 4.19Å; V326-W360 HydrophobicContact CG1-CE3 3.77Å; V326-W360 HydrophobicContact CG1-CG 4.28Å; F327-W360 HydrophobicContact CD1-CB 4.26Å; F327-W360 AromaticContact CD1-CD1 3.59Å; F327-W360 HydrophobicContact CD1-CG 4.3Å; F327-W360 HydrophobicContact CD2-CB 3.72Å; F327-W360 HydrophobicContact CD2-CG 4.47Å; F327-W360 HydrophobicContact CE1-CB 4.16Å; F327-W360 AromaticContact CE1-CD1 3.8Å; F327-W360 HydrophobicContact CE1-CG 4.41Å; F327-W360 HydrophobicContact CE2-CB 3.61Å; F327-W360 HydrophobicContact CG-CB 4.06Å; F327-W360 AromaticContact CG-CD1 3.97Å; F327-W360 HydrophobicContact CG-CG 4.34Å; F327-W360 HydrophobicContact CZ-CB 3.84Å; M336-W360 HydrophobicContact CB-CD2 4.47Å; M336-W360 HydrophobicContact CB-CH2 3.55Å; M336-W360 HydrophobicContact CB-CZ2 3.43Å; M336-W360 VanDerWaalsContact CB-CZ2 3.43Å; M336-W360 HydrophobicContact CB-CZ3 4.1Å; M336-W360 HydrophobicContact CG-CD2 4.34Å; M336-W360 HydrophobicContact CG-CH2 4.2Å; M336-W360 HydrophobicContact CG-CZ2 3.56Å; M336-W360 HydrophobicContact SD-CZ2 4.1Å; L337-W360 HydrophobicContact CD2-CH2 4.41Å; L337-W360 HydrophobicContact CD2-CZ3 4.33Å; L337-W360 HydrophobicContact CG-CH2 4.1Å; L337-W360 HydrophobicContact CG-CZ3 4.49Å; A357-W360 WeakPolarHBondContact O-CB 3.39Å; A357-W360 PolarHBondContact O-N 2.94Å; A357-W360 VanDerWaalsContact O-N 3.1Å; P358-W360 PolarHBondContact O-N 3.04Å; W360-Y362 PolarHBondContact O-N 2.75Å; W360-E363 PolarHBondContact O-N 2.9Å; W360-S364 VanDerWaalsContact O-CB 3.24Å; W360-S364 WeakPolarHBondContact O-CB 3.48Å; W360-S364 PolarHBondContact O-N 3.1Å; W360-S364 PolarHBondContact O-OG 2.81Å
361	V	97.2	Very high	95.7	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-30.1	-178.4	-179.8	0	0	0	0	111.4	P358 G359 Q365 F371 N374 Q375 F378	P358-V361 WeakPolarHBondContact O-CB 3.35Å; P358-V361 WeakPolarHBondContact O-CG2 3.48Å; P358-V361 PolarHBondContact O-N 3.15Å; G359-V361 PolarHBondContact O-N 3.23Å; G359-V361 VanDerWaalsContact O-N 3.09Å; V361-Q365 WeakPolarHBondContact O-CG 3.17Å; V361-Q365 PolarHBondContact O-NE2 2.9Å; V361-F371 HydrophobicContact CB-CE2 4.33Å; V361-F371 HydrophobicContact CG1-CD2 4.22Å; V361-F371 HydrophobicContact CG1-CE2 4.11Å; V361-N374 HydrophobicContact CG1-CB 4.08Å; V361-Q375 HydrophobicContact CG1-CB 4.45Å; V361-F378 HydrophobicContact CG1-CB 4.41Å; V361-F378 HydrophobicContact CG2-CB 3.93Å; V361-F378 HydrophobicContact CG2-CD1 3.96Å; V361-F378 HydrophobicContact CG2-CD2 3.75Å; V361-F378 HydrophobicContact CG2-CE1 4.41Å; V361-F378 HydrophobicContact CG2-CE2 4.23Å; V361-F378 HydrophobicContact CG2-CG 3.59Å
362	Y	97	Very high	95.5	Very high	30 Å²	30	35 Å²	35	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-88.3	-50.4	174	-172.8	-82.6	0	0	0	111.4	M125 M126 A142 Y144 G359 W360 S364 Q365 K368 F371	M125-Y362 HydrophobicContact CE-CD1 3.2Å; M125-Y362 HydrophobicContact CE-CD2 4.47Å; M125-Y362 HydrophobicContact CE-CE1 3.63Å; M125-Y362 HydrophobicContact CE-CG 3.68Å; M125-Y362 HydrophobicContact SD-CD1 4.3Å; M125-Y362 HydrophobicContact SD-CG 4.35Å; M126-Y362 HydrophobicContact SD-CD1 4.36Å; M126-Y362 HydrophobicContact SD-CE1 4.24Å; A142-Y362 WeakPolarHBondContact O-CE2 3.32Å; A142-Y362 PolarHBondContact O-OH 3.31Å; Y144-Y362 AromaticContact CD2-CD2 3.87Å; Y144-Y362 HydrophobicContact CD2-CD2 3.87Å; Y144-Y362 AromaticContact CD2-CG 3.91Å; Y144-Y362 HydrophobicContact CD2-CG 3.91Å; G359-Y362 WeakPolarHBondContact O-CA 3.04Å; G359-Y362 WeakPolarHBondContact O-CB 3.41Å; G359-Y362 PolarHBondContact O-N 3.39Å; W360-Y362 PolarHBondContact O-N 2.75Å; Y362-S364 VanDerWaalsContact C-N 3.34Å; Y362-S364 PolarHBondContact O-N 3.45Å; Y362-Q365 PolarHBondContact O-N 3.1Å; Y362-K368 HydrophobicContact CD1-CD 3.84Å; Y362-K368 HydrophobicContact CE1-CD 3.47Å; Y362-K368 VanDerWaalsContact CE1-CD 3.47Å; Y362-K368 VanDerWaalsContact CE1-CE 3.45Å; Y362-K368 HydrophobicContact CE1-CG 3.93Å; Y362-K368 HydrophobicContact CE2-CB 4.13Å; Y362-K368 HydrophobicContact CE2-CD 4.27Å; Y362-K368 HydrophobicContact CE2-CG 4.4Å; Y362-K368 HydrophobicContact CG-CD 4.42Å; Y362-K368 PolarHBondContact O-NZ 3.34Å; Y362-F371 HydrophobicContact CD2-CB 3.85Å; Y362-F371 AromaticContact CD2-CD1 3.79Å; Y362-F371 HydrophobicContact CD2-CD1 3.79Å; Y362-F371 AromaticContact CD2-CD2 3.62Å; Y362-F371 HydrophobicContact CD2-CD2 3.62Å; Y362-F371 HydrophobicContact CD2-CE1 4.24Å; Y362-F371 HydrophobicContact CD2-CE2 4.09Å; Y362-F371 AromaticContact CD2-CG 3.45Å; Y362-F371 HydrophobicContact CD2-CG 3.45Å; Y362-F371 VanDerWaalsContact CD2-CG 3.45Å; Y362-F371 HydrophobicContact CD2-CZ 4.38Å; Y362-F371 HydrophobicContact CE2-CB 4.27Å; Y362-F371 HydrophobicContact CE2-CD1 4.31Å; Y362-F371 HydrophobicContact CE2-CG 4.19Å; Y362-F371 HydrophobicContact CG-CD2 4.13Å; Y362-F371 HydrophobicContact CG-CE2 4.46Å; Y362-F371 HydrophobicContact CG-CG 4.38Å
363	E	96.1	Very high	95.2	Very high	65 Å²	65	37.8 Å²	37.8	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-38.6	-171.5	-71.7	-173.3	-140	0	0	113.1	M125 M126 F327 G359 W360 Q365 K368	M125-E363 HydrophobicContact CE-CG 4.42Å; M125-E363 HydrophobicContact SD-CG 4.29Å; M126-E363 HydrophobicContact CG-CG 3.46Å; M126-E363 VanDerWaalsContact CG-CG 3.46Å; M126-E363 WeakPolarHBondContact CG-OE1 3.26Å; M126-E363 PolarHBondContact N-OE1 3.32Å; M126-E363 HydrophobicContact SD-CG 4.09Å; F327-E363 HydrophobicContact CZ-CB 4.3Å; G359-E363 WeakPolarHBondContact O-CG 3.36Å; G359-E363 PolarHBondContact O-N 3.2Å; W360-E363 PolarHBondContact O-N 2.9Å; E363-Q365 PolarHBondContact O-N 3.08Å; E363-K368 PolarHBondContact O-NZ 3.45Å
364	S	94.1	Very high	95.1	Very high	55 Å²	55	38.8 Å²	38.8	39%	0.385	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.8	-179.8	60.7	0	0	0	0	114.4	W360 Y362	W360-S364 VanDerWaalsContact O-CB 3.24Å; W360-S364 WeakPolarHBondContact O-CB 3.48Å; W360-S364 PolarHBondContact O-N 3.1Å; W360-S364 PolarHBondContact O-OG 2.81Å; Y362-S364 VanDerWaalsContact C-N 3.34Å; Y362-S364 PolarHBondContact O-N 3.45Å
365	Q	91.6	Very high	95	Very high	40 Å²	40	38.9 Å²	38.9	19%	0.187	22%	0.216	C	C	.	.			trans	-85.1	133.9	-178.1	-48.5	-56.4	-28.8	0	0	111.2	V361 Y362 E363 K368 N374	V361-Q365 WeakPolarHBondContact O-CG 3.17Å; V361-Q365 PolarHBondContact O-NE2 2.9Å; Y362-Q365 PolarHBondContact O-N 3.1Å; E363-Q365 PolarHBondContact O-N 3.08Å; Q365-K368 WeakPolarHBondContact O-CE 3.42Å; Q365-K368 PolarHBondContact O-NZ 3.09Å; Q365-N374 PolarHBondContact NE2-ND2 3.22Å; Q365-N374 PolarHBondContact OE1-ND2 3.26Å
366	S	90.4	Very high	94.8	Very high	132 Å²	132	40.7 Å²	40.7	92%	0.923	23%	0.226	S	C	*	.	S	Bend	trans	-73.1	-37.2	168.3	54	0	0	0	0	111.9
367	D	93.1	Very high	94.7	Very high	77 Å²	77	45.7 Å²	45.7	41%	0.412	25%	0.248	S	C	.	.			trans	-104.4	108.7	175.7	-175.5	-7.8	0	0	0	109.8	S369 E370	D367-S369 PolarHBondContact O-N 3.22Å; D367-S369 VanDerWaalsContact OD1-CB 3.22Å; D367-S369 WeakPolarHBondContact OD1-CB 3.43Å; D367-S369 PolarHBondContact OD1-N 3.21Å; D367-S369 PolarHBondContact OD1-OG 3Å; D367-S369 PolarHBondContact OD2-OG 3.08Å; D367-S369 VanDerWaalsContact OD2-OG 3.08Å; D367-E370 HydrophobicContact CB-CG 4.41Å; D367-E370 PolarHBondContact O-N 3.21Å
368	K	93.8	Very high	94.7	Very high	55 Å²	55	45.7 Å²	45.7	24%	0.239	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-69.9	-17.6	-178.9	-55.8	-49.6	-170.5	-168.3	0	112.6	A142 Y362 E363 Q365 E370 F371	A142-K368 HydrophobicContact CB-CB 3.69Å; Y362-K368 HydrophobicContact CD1-CD 3.84Å; Y362-K368 HydrophobicContact CE1-CD 3.47Å; Y362-K368 VanDerWaalsContact CE1-CD 3.47Å; Y362-K368 VanDerWaalsContact CE1-CE 3.45Å; Y362-K368 HydrophobicContact CE1-CG 3.93Å; Y362-K368 HydrophobicContact CE2-CB 4.13Å; Y362-K368 HydrophobicContact CE2-CD 4.27Å; Y362-K368 HydrophobicContact CE2-CG 4.4Å; Y362-K368 HydrophobicContact CG-CD 4.42Å; Y362-K368 PolarHBondContact O-NZ 3.34Å; E363-K368 PolarHBondContact O-NZ 3.45Å; Q365-K368 WeakPolarHBondContact O-CE 3.42Å; Q365-K368 PolarHBondContact O-NZ 3.09Å; K368-E370 PolarHBondContact O-N 2.75Å; K368-F371 WeakPolarHBondContact O-CB 3.49Å; K368-F371 PolarHBondContact O-N 2.95Å; K368-F371 VanDerWaalsContact O-N 3.1Å
369	S	90.9	Very high	94.7	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.2	-21.8	177.5	77	0	0	0	0	112.9	D367 F371	D367-S369 PolarHBondContact O-N 3.22Å; D367-S369 VanDerWaalsContact OD1-CB 3.22Å; D367-S369 WeakPolarHBondContact OD1-CB 3.43Å; D367-S369 PolarHBondContact OD1-N 3.21Å; D367-S369 PolarHBondContact OD1-OG 3Å; D367-S369 PolarHBondContact OD2-OG 3.08Å; D367-S369 VanDerWaalsContact OD2-OG 3.08Å; S369-F371 VanDerWaalsContact C-N 3.3Å; S369-F371 PolarHBondContact O-N 3.43Å
370	E	92.3	Very high	94.6	Very high	101 Å²	101	48.6 Å²	48.6	47%	0.472	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-80.3	-9	175.7	-60.8	-164.7	148.8	0	0	113.7	D367 K368 R372 S373 N374	D367-E370 HydrophobicContact CB-CG 4.41Å; D367-E370 PolarHBondContact O-N 3.21Å; K368-E370 PolarHBondContact O-N 2.75Å; E370-R372 VanDerWaalsContact C-N 3.26Å; E370-R372 PolarHBondContact O-N 3.14Å; E370-R372 VanDerWaalsContact O-N 3.16Å; E370-S373 PolarHBondContact O-N 3.23Å; E370-N374 PolarHBondContact O-N 3.47Å
371	F	94.6	Very high	94.6	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-52.2	-43.8	-173.5	169.8	-118.4	0	0	0	112.7	Y144 A145 V361 Y362 K368 S369 S373 N374 Q375	Y144-F371 AromaticContact CD2-CE1 3.99Å; Y144-F371 HydrophobicContact CD2-CE1 3.99Å; Y144-F371 AromaticContact CD2-CE2 3.85Å; Y144-F371 HydrophobicContact CD2-CE2 3.85Å; Y144-F371 AromaticContact CD2-CZ 3.43Å; Y144-F371 HydrophobicContact CD2-CZ 3.43Å; Y144-F371 VanDerWaalsContact CD2-CZ 3.43Å; Y144-F371 HydrophobicContact CE2-CE1 4.44Å; Y144-F371 AromaticContact CE2-CE2 3.78Å; Y144-F371 HydrophobicContact CE2-CE2 3.78Å; Y144-F371 AromaticContact CE2-CZ 3.48Å; Y144-F371 HydrophobicContact CE2-CZ 3.48Å; Y144-F371 VanDerWaalsContact CE2-CZ 3.48Å; Y144-F371 HydrophobicContact CG-CE1 4.44Å; Y144-F371 HydrophobicContact CG-CZ 4.22Å; A145-F371 WeakPolarHBondContact O-CE1 3.24Å; V361-F371 HydrophobicContact CB-CE2 4.33Å; V361-F371 HydrophobicContact CG1-CD2 4.22Å; V361-F371 HydrophobicContact CG1-CE2 4.11Å; Y362-F371 HydrophobicContact CD2-CB 3.85Å; Y362-F371 AromaticContact CD2-CD1 3.79Å; Y362-F371 HydrophobicContact CD2-CD1 3.79Å; Y362-F371 AromaticContact CD2-CD2 3.62Å; Y362-F371 HydrophobicContact CD2-CD2 3.62Å; Y362-F371 HydrophobicContact CD2-CE1 4.24Å; Y362-F371 HydrophobicContact CD2-CE2 4.09Å; Y362-F371 AromaticContact CD2-CG 3.45Å; Y362-F371 HydrophobicContact CD2-CG 3.45Å; Y362-F371 VanDerWaalsContact CD2-CG 3.45Å; Y362-F371 HydrophobicContact CD2-CZ 4.38Å; Y362-F371 HydrophobicContact CE2-CB 4.27Å; Y362-F371 HydrophobicContact CE2-CD1 4.31Å; Y362-F371 HydrophobicContact CE2-CG 4.19Å; Y362-F371 HydrophobicContact CG-CD2 4.13Å; Y362-F371 HydrophobicContact CG-CE2 4.46Å; Y362-F371 HydrophobicContact CG-CG 4.38Å; K368-F371 WeakPolarHBondContact O-CB 3.49Å; K368-F371 PolarHBondContact O-N 2.95Å; K368-F371 VanDerWaalsContact O-N 3.1Å; S369-F371 VanDerWaalsContact C-N 3.3Å; S369-F371 PolarHBondContact O-N 3.43Å; F371-S373 PolarHBondContact O-N 2.95Å; F371-N374 PolarHBondContact O-N 2.86Å; F371-Q375 HydrophobicContact CD2-CB 4.5Å; F371-Q375 VanDerWaalsContact CE1-NE2 3.28Å; F371-Q375 HydrophobicContact CE2-CB 4.12Å; F371-Q375 HydrophobicContact CZ-CB 4.24Å; F371-Q375 HydrophobicContact CZ-CG 4.5Å; F371-Q375 VanDerWaalsContact CZ-NE2 3.3Å; F371-Q375 VanDerWaalsContact O-CB 3.24Å; F371-Q375 WeakPolarHBondContact O-CB 3.22Å; F371-Q375 PolarHBondContact O-N 3.37Å
372	R	92.5	Very high	94.6	Very high	38 Å²	38	49.2 Å²	49.2	14%	0.143	28%	0.275	C	S	.	.	H	α-helix	trans	-54	-51.3	177.4	-175.9	-164.9	-178.3	93	15.6	112	Y147 E370 N374 Q375 D376 G448 C458	Y147-R372 WeakPolarHBondContact OH-CG 3.21Å; Y147-R372 PolarHBondContact OH-O 2.88Å; E370-R372 VanDerWaalsContact C-N 3.26Å; E370-R372 PolarHBondContact O-N 3.14Å; E370-R372 VanDerWaalsContact O-N 3.16Å; R372-N374 PolarHBondContact O-N 2.79Å; R372-Q375 PolarHBondContact O-N 3Å; R372-D376 PolarHBondContact O-N 2.89Å; R372-G448 PolarHBondContact NH2-O 2.75Å; R372-C458 PolarHBondContact NH2-SG 3.14Å
373	S	93.1	Very high	94.5	Very high	58 Å²	58	49.5 Å²	49.5	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-39.4	-179.7	-176.4	0	0	0	0	111.8	E370 F371 D376 K377	E370-S373 PolarHBondContact O-N 3.23Å; F371-S373 PolarHBondContact O-N 2.95Å; S373-D376 PolarHBondContact O-N 2.89Å; S373-K377 VanDerWaalsContact O-CG 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.39Å; S373-K377 PolarHBondContact O-N 2.93Å; S373-K377 WeakPolarHBondContact OG-CE 3.45Å
374	N	95.9	Very high	94.4	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.112	30%	0.304	C	S	.	.	H	α-helix	trans	-73.5	-32.4	-179.2	-67.6	-26.6	0	0	0	112.3	V361 Q365 E370 F371 R372 K377 F378	V361-N374 HydrophobicContact CG1-CB 4.08Å; Q365-N374 PolarHBondContact NE2-ND2 3.22Å; Q365-N374 PolarHBondContact OE1-ND2 3.26Å; E370-N374 PolarHBondContact O-N 3.47Å; F371-N374 PolarHBondContact O-N 2.86Å; R372-N374 PolarHBondContact O-N 2.79Å; N374-K377 PolarHBondContact O-N 2.9Å; N374-K377 PolarHBondContact OD1-NZ 3.02Å; N374-F378 WeakPolarHBondContact O-CB 3.45Å; N374-F378 PolarHBondContact O-N 2.97Å
375	Q	96	Very high	94.5	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-50.4	168.2	178.5	174	-167	0	0	110.6	A145 Y147 V361 F371 R372 K377 F378 W379	A145-Q375 PolarHBondContact O-NE2 3.18Å; A145-Q375 PolarHBondContact O-OE1 3.21Å; Y147-Q375 VanDerWaalsContact CE1-NE2 3.33Å; V361-Q375 HydrophobicContact CG1-CB 4.45Å; F371-Q375 HydrophobicContact CD2-CB 4.5Å; F371-Q375 VanDerWaalsContact CE1-NE2 3.28Å; F371-Q375 HydrophobicContact CE2-CB 4.12Å; F371-Q375 HydrophobicContact CZ-CB 4.24Å; F371-Q375 HydrophobicContact CZ-CG 4.5Å; F371-Q375 VanDerWaalsContact CZ-NE2 3.3Å; F371-Q375 VanDerWaalsContact O-CB 3.24Å; F371-Q375 WeakPolarHBondContact O-CB 3.22Å; F371-Q375 PolarHBondContact O-N 3.37Å; R372-Q375 PolarHBondContact O-N 3Å; Q375-K377 VanDerWaalsContact C-N 3.3Å; Q375-K377 PolarHBondContact O-N 2.91Å; Q375-F378 PolarHBondContact O-N 3.22Å; Q375-F378 VanDerWaalsContact O-N 3.1Å; Q375-W379 VanDerWaalsContact CG-CD1 3.49Å; Q375-W379 PolarHBondContact O-N 3.16Å
376	D	95.4	Very high	94.6	Very high	37 Å²	37	52.1 Å²	52.1	20%	0.198	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-43.7	178.2	-68.9	-12.8	0	0	0	111.6	Y147 H148 R372 S373 A380	Y147-D376 VanDerWaalsContact CE2-OD1 3.24Å; Y147-D376 WeakPolarHBondContact CE2-OD1 3.33Å; Y147-D376 PolarHBondContact OH-OD1 3Å; H148-D376 IonicContact CE1-OD1 2.7Å; H148-D376 IonicContact NE2-OD1 3.33Å; H148-D376 PolarHBondContact NE2-OD1 2.8Å; R372-D376 PolarHBondContact O-N 2.89Å; S373-D376 PolarHBondContact O-N 2.89Å; D376-A380 WeakPolarHBondContact O-CB 3.43Å; D376-A380 PolarHBondContact O-N 2.86Å
377	K	95.8	Very high	94.5	Very high	118 Å²	118	50.3 Å²	50.3	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-44.9	175.6	-69.6	169.6	-161.4	159.4	0	112	S373 N374 Q375 L381	S373-K377 VanDerWaalsContact O-CG 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.39Å; S373-K377 PolarHBondContact O-N 2.93Å; S373-K377 WeakPolarHBondContact OG-CE 3.45Å; N374-K377 PolarHBondContact O-N 2.9Å; N374-K377 PolarHBondContact OD1-NZ 3.02Å; Q375-K377 VanDerWaalsContact C-N 3.3Å; Q375-K377 PolarHBondContact O-N 2.91Å; K377-L381 WeakPolarHBondContact O-CB 3.42Å; K377-L381 PolarHBondContact O-N 3.02Å
378	F	97.7	Very high	94.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-46.7	-179.9	178.7	-97.5	0	0	0	111.2	V326 T339 P358 V361 N374 Q375 L381 L382	V326-F378 HydrophobicContact CG1-CE2 3.7Å; V326-F378 HydrophobicContact CG1-CZ 3.8Å; V326-F378 HydrophobicContact CG2-CZ 3.9Å; T339-F378 HydrophobicContact CG2-CE2 4.31Å; T339-F378 HydrophobicContact CG2-CZ 4.11Å; P358-F378 HydrophobicContact CB-CE1 4.3Å; V361-F378 HydrophobicContact CG1-CB 4.41Å; V361-F378 HydrophobicContact CG2-CB 3.93Å; V361-F378 HydrophobicContact CG2-CD1 3.96Å; V361-F378 HydrophobicContact CG2-CD2 3.75Å; V361-F378 HydrophobicContact CG2-CE1 4.41Å; V361-F378 HydrophobicContact CG2-CE2 4.23Å; V361-F378 HydrophobicContact CG2-CG 3.59Å; N374-F378 WeakPolarHBondContact O-CB 3.45Å; N374-F378 PolarHBondContact O-N 2.97Å; Q375-F378 PolarHBondContact O-N 3.22Å; Q375-F378 VanDerWaalsContact O-N 3.1Å; F378-L381 WeakPolarHBondContact O-CB 3.28Å; F378-L381 PolarHBondContact O-N 2.71Å; F378-L382 HydrophobicContact CD1-CD1 4.21Å; F378-L382 HydrophobicContact CE1-CD1 3.61Å; F378-L382 HydrophobicContact CE2-CD1 4.49Å; F378-L382 HydrophobicContact CZ-CD1 3.78Å; F378-L382 WeakPolarHBondContact O-CG 3.39Å; F378-L382 PolarHBondContact O-N 2.97Å
379	W	97.2	Very high	94	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-74	-31.8	180	-69.8	102.8	0	0	0	113.3	V121 F146 H148 Y151 I152 I355 Q375 L381 L382 S383 L386	V121-W379 HydrophobicContact CG2-CH2 3.67Å; V121-W379 HydrophobicContact CG2-CZ2 4.44Å; F146-W379 HydrophobicContact CD2-CZ2 4.12Å; F146-W379 AromaticContact CD2-NE1 4Å; F146-W379 HydrophobicContact CE2-CD2 4.26Å; F146-W379 AromaticContact CE2-CE2 3.45Å; F146-W379 VanDerWaalsContact CE2-CE2 3.45Å; F146-W379 HydrophobicContact CE2-CH2 4.01Å; F146-W379 AromaticContact CE2-CZ2 3.32Å; F146-W379 HydrophobicContact CE2-CZ2 3.32Å; F146-W379 AromaticContact CE2-NE1 3.63Å; F146-W379 HydrophobicContact CZ-CH2 4.33Å; F146-W379 HydrophobicContact CZ-CZ2 4.07Å; H148-W379 HydrophobicContact CB-CB 4.3Å; H148-W379 HydrophobicContact CB-CD2 4.01Å; H148-W379 HydrophobicContact CB-CE3 4.46Å; H148-W379 HydrophobicContact CB-CG 3.89Å; H148-W379 AromaticContact CD2-CD1 3.07Å; H148-W379 AromaticContact CD2-CG 3.49Å; H148-W379 VanDerWaalsContact CD2-CG 3.49Å; H148-W379 AromaticContact CD2-NE1 3.74Å; H148-W379 AromaticContact CG-CD1 3.65Å; H148-W379 AromaticContact CG-CG 3.58Å; H148-W379 AromaticContact NE2-CD1 3.56Å; H148-W379 AromaticContact NE2-CG 3.97Å; Y151-W379 HydrophobicContact CD2-CE3 4.21Å; Y151-W379 HydrophobicContact CE2-CB 4.45Å; I152-W379 HydrophobicContact CG2-CH2 4.07Å; I152-W379 HydrophobicContact CG2-CZ3 4.04Å; I355-W379 HydrophobicContact CD1-CH2 4.23Å; I355-W379 HydrophobicContact CD1-CZ3 4.15Å; Q375-W379 VanDerWaalsContact CG-CD1 3.49Å; Q375-W379 PolarHBondContact O-N 3.16Å; W379-L381 VanDerWaalsContact C-N 3.32Å; W379-L382 HydrophobicContact CE3-CD1 4.33Å; W379-L382 HydrophobicContact CZ3-CD1 4.37Å; W379-L382 PolarHBondContact O-N 3.27Å; W379-S383 PolarHBondContact O-N 3.07Å; W379-S383 VanDerWaalsContact O-N 3.1Å; W379-L386 HydrophobicContact CE3-CD1 3.86Å; W379-L386 HydrophobicContact CZ3-CD1 3.95Å
380	A	95.5	Very high	94	Very high	57 Å²	57	46.9 Å²	46.9	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-36.4	171.2	0	0	0	0	0	112.2	D376 L382 S383	D376-A380 WeakPolarHBondContact O-CB 3.43Å; D376-A380 PolarHBondContact O-N 2.86Å; A380-L382 PolarHBondContact O-N 3.34Å; A380-S383 PolarHBondContact O-N 2.68Å; A380-S383 PolarHBondContact O-OG 3.18Å
381	L	96.5	Very high	93.9	Very high	52 Å²	52	42.9 Å²	42.9	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-31.6	174.2	174.2	71.6	0	0	0	112.3	L337 N340 K377 F378 W379	L337-L381 VanDerWaalsContact C-CD2 3.48Å; L337-L381 HydrophobicContact CB-CD2 4.42Å; L337-L381 WeakPolarHBondContact O-CD2 3.15Å; N340-L381 HydrophobicContact CB-CD1 4.14Å; N340-L381 HydrophobicContact CB-CG 3.94Å; N340-L381 WeakPolarHBondContact ND2-CD1 3.41Å; K377-L381 WeakPolarHBondContact O-CB 3.42Å; K377-L381 PolarHBondContact O-N 3.02Å; F378-L381 WeakPolarHBondContact O-CB 3.28Å; F378-L381 PolarHBondContact O-N 2.71Å; W379-L381 VanDerWaalsContact C-N 3.32Å
382	L	97.4	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-94.1	-14.1	-176.1	-54.8	-177.5	0	0	0	113.4	T339 N340 L343 I355 F378 W379 A380 D384 Y385 L386	T339-L382 HydrophobicContact CG2-CD1 4.19Å; T339-L382 HydrophobicContact CG2-CD2 3.77Å; N340-L382 HydrophobicContact CB-CD2 4.01Å; L343-L382 HydrophobicContact CD1-CB 3.9Å; L343-L382 HydrophobicContact CD1-CD1 4.16Å; L343-L382 HydrophobicContact CD1-CD2 3.83Å; L343-L382 HydrophobicContact CD1-CG 4.15Å; I355-L382 HydrophobicContact CD1-CD1 3.98Å; F378-L382 HydrophobicContact CD1-CD1 4.21Å; F378-L382 HydrophobicContact CE1-CD1 3.61Å; F378-L382 HydrophobicContact CE2-CD1 4.49Å; F378-L382 HydrophobicContact CZ-CD1 3.78Å; F378-L382 WeakPolarHBondContact O-CG 3.39Å; F378-L382 PolarHBondContact O-N 2.97Å; W379-L382 HydrophobicContact CE3-CD1 4.33Å; W379-L382 HydrophobicContact CZ3-CD1 4.37Å; W379-L382 PolarHBondContact O-N 3.27Å; A380-L382 PolarHBondContact O-N 3.34Å; L382-D384 VanDerWaalsContact C-N 3.25Å; L382-D384 PolarHBondContact O-N 3.15Å; L382-D384 VanDerWaalsContact O-N 3.07Å; L382-Y385 PolarHBondContact O-N 2.87Å; L382-L386 HydrophobicContact CB-CD1 3.62Å; L382-L386 HydrophobicContact CB-CG 4.23Å; L382-L386 WeakPolarHBondContact O-CG 3.48Å
383	S	94.5	Very high	93.8	Very high	36 Å²	36	43.3 Å²	43.3	25%	0.252	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34.6	-164.1	60.1	0	0	0	0	114.6	W379 A380 Y385 L386	W379-S383 PolarHBondContact O-N 3.07Å; W379-S383 VanDerWaalsContact O-N 3.1Å; A380-S383 PolarHBondContact O-N 2.68Å; A380-S383 PolarHBondContact O-OG 3.18Å; S383-Y385 PolarHBondContact O-N 2.91Å; S383-L386 PolarHBondContact O-N 2.97Å
384	D	94	Very high	93.7	Very high	143 Å²	143	46.8 Å²	46.8	77%	0.765	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.8	-17.8	-178.5	-65.1	-13.8	0	0	0	113.3	L382	L382-D384 VanDerWaalsContact C-N 3.25Å; L382-D384 PolarHBondContact O-N 3.15Å; L382-D384 VanDerWaalsContact O-N 3.07Å
385	Y	95.9	Very high	93.4	Very high	58 Å²	58	47.3 Å²	47.3	23%	0.227	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-106.9	0.7	-179	-50.9	-76.1	0	0	0	113.3	N340 L343 D344 R347 L382 S383	N340-Y385 HydrophobicContact CB-CD2 4.3Å; N340-Y385 HydrophobicContact CB-CE2 3.83Å; L343-Y385 HydrophobicContact CB-CD2 4.17Å; L343-Y385 HydrophobicContact CB-CG 3.87Å; D344-Y385 HydrophobicContact CB-CD1 4.17Å; D344-Y385 HydrophobicContact CB-CE1 3.44Å; D344-Y385 VanDerWaalsContact CB-CE1 3.44Å; D344-Y385 WeakPolarHBondContact OD1-CE1 3.28Å; R347-Y385 PolarHBondContact NE-O 3.09Å; L382-Y385 PolarHBondContact O-N 2.87Å; S383-Y385 PolarHBondContact O-N 2.91Å
386	L	94.1	Very high	93.1	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.073	25%	0.252	C	S	.	.	S	Bend	trans	-112.3	138.8	-174.4	-60.6	176.6	0	0	0	110.6	T119 Y151 L343 W379 L382 S383	T119-L386 HydrophobicContact CG2-CD2 3.74Å; T119-L386 WeakPolarHBondContact OG1-CD2 3.28Å; Y151-L386 HydrophobicContact CD1-CB 3.97Å; Y151-L386 HydrophobicContact CD2-CD1 4.21Å; Y151-L386 HydrophobicContact CG-CB 4.11Å; Y151-L386 HydrophobicContact CG-CD1 3.95Å; L343-L386 HydrophobicContact CD1-CD2 4.01Å; L343-L386 HydrophobicContact CD1-CG 4.43Å; W379-L386 HydrophobicContact CE3-CD1 3.86Å; W379-L386 HydrophobicContact CZ3-CD1 3.95Å; L382-L386 HydrophobicContact CB-CD1 3.62Å; L382-L386 HydrophobicContact CB-CG 4.23Å; L382-L386 WeakPolarHBondContact O-CG 3.48Å; S383-L386 PolarHBondContact O-N 2.97Å
387	Y	89	Confident	93	Very high	94 Å²	94	47.3 Å²	47.3	37%	0.369	24%	0.244	S	C	.	.			trans	-86.8	134.5	176.4	-74	-85.5	0	0	0	111	R117 H389	R117-Y387 HydrophobicContact CB-CD2 4.29Å; R117-Y387 HydrophobicContact CB-CE2 3.44Å; R117-Y387 VanDerWaalsContact CB-CE2 3.44Å; R117-Y387 HydrophobicContact CG-CE2 4.35Å; R117-Y387 PolarHBondContact NE-OH 3.34Å; R117-Y387 PolarHBondContact NH2-OH 3.24Å; R117-Y387 WeakPolarHBondContact O-CD2 3.3Å; Y387-H389 PolarHBondContact O-N 2.63Å
388	I	87.7	Confident	92.9	Very high	65 Å²	65	42.4 Å²	42.4	33%	0.333	22%	0.223	S	C	.	.			trans	-85.1	110	169.1	-60.9	172	0	0	0	108.2	Q150 Y151 L432	Q150-I388 HydrophobicContact CB-CG2 4.48Å; Q150-I388 WeakPolarHBondContact O-CA 3.36Å; Y151-I388 HydrophobicContact CD1-CG1 4.07Å; Y151-I388 HydrophobicContact CE1-CD1 4.25Å; Y151-I388 HydrophobicContact CE1-CG1 3.77Å; I388-L432 HydrophobicContact CD1-CD1 4.48Å; I388-L432 HydrophobicContact CD1-CD2 4.09Å; I388-L432 HydrophobicContact CG2-CD2 3.93Å
389	H	88.8	Confident	92.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	22%	0.223	C	C	.	.			trans	-85.7	163.8	170.2	64.2	-102.9	0	0	0	111.2	R108 W149 Q150 I152 H177 Y387	R108-H389 PolarHBondContact NH1-ND1 3.35Å; W149-H389 PolarHBondContact O-CE1 2.77Å; Q150-H389 PolarHBondContact O-CE1 3.19Å; Q150-H389 PolarHBondContact O-N 2.92Å; Q150-H389 PolarHBondContact O-ND1 2.82Å; Q150-H389 VanDerWaalsContact O-ND1 3.08Å; I152-H389 PolarHBondContact O-CE1 2.95Å; I152-H389 PolarHBondContact O-ND1 2.93Å; H177-H389 PolarHBondContact O-NE2 3.01Å; Y387-H389 PolarHBondContact O-N 2.63Å
390	R	89.9	Confident	92.9	Very high	69 Å²	69	42 Å²	42	26%	0.26	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.7	-178	-60	-178.3	-172.6	81.8	-5.6	109.9	R108 K109 A392 S480 L481	R108-R390 CarbonylContact C-O 3.6Å; R108-R390 VanDerWaalsContact CA-O 3.25Å; R108-R390 WeakPolarHBondContact CA-O 3.26Å; R108-R390 WeakPolarHBondContact CB-O 3.31Å; K109-R390 HydrophobicContact CB-CB 4.43Å; K109-R390 PolarHBondContact N-O 2.85Å; K109-R390 WeakPolarHBondContact O-CB 3.2Å; K109-R390 PolarHBondContact O-N 2.73Å; R390-A392 PolarHBondContact O-N 3.37Å; R390-S480 WeakPolarHBondContact CA-O 3.35Å; R390-S480 WeakPolarHBondContact CG-OG 3.42Å; R390-S480 PolarHBondContact NE-OG 3.21Å; R390-L481 WeakPolarHBondContact CD-O 3.39Å
391	P	91.5	Very high	93	Very high	17 Å²	17	39.4 Å²	39.4	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	133	167.1	-23.7	34.2	0	0	0	109.6	H482	P391-H482 PolarHBondContact O-N 3.24Å
392	A	92.4	Very high	93	Very high	9 Å²	9	37 Å²	37	7%	0.074	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-105.5	130.2	175.3	0	0	0	0	0	108.8	P107 R390 H482	P107-A392 HydrophobicContact CB-CB 4.2Å; P107-A392 WeakPolarHBondContact CD-O 3.42Å; P107-A392 HydrophobicContact CG-CB 4.06Å; P107-A392 WeakPolarHBondContact CG-O 3.48Å; P107-A392 WeakPolarHBondContact O-CA 3.4Å; P107-A392 WeakPolarHBondContact O-CB 3.43Å; P107-A392 PolarHBondContact O-N 3.2Å; R390-A392 PolarHBondContact O-N 3.37Å; A392-H482 VanDerWaalsContact CA-O 3.29Å; A392-H482 WeakPolarHBondContact CA-O 3.12Å; A392-H482 HydrophobicContact CB-CB 3.92Å
393	S	91.4	Very high	93	Very high	46 Å²	46	37 Å²	37	32%	0.322	19%	0.187	S	C	.	.			trans	-149.6	162	178.6	69.4	0	0	0	0	110	H482 V483 P484	S393-H482 PolarHBondContact N-O 3.3Å; S393-V483 WeakPolarHBondContact O-CA 3.22Å; S393-P484 WeakPolarHBondContact O-CD 3.48Å
394	Q	90.4	Very high	93.1	Very high	131 Å²	131	35.3 Å²	35.3	61%	0.612	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-84.1	167.8	163.2	-62.5	-60.2	-21.6	0	0	109.7
395	L	90.4	Very high	93.2	Very high	32 Å²	32	29.6 Å²	29.6	17%	0.168	14%	0.144	C	C	.	.	S	Bend	trans	-63.5	146.3	166.3	-65.9	173.7	0	0	0	109.7	V483 L485 I489 V596 D598	L395-V483 HydrophobicContact CD2-CG1 3.69Å; L395-V483 HydrophobicContact CG-CG1 3.98Å; L395-L485 HydrophobicContact CD1-CD2 4.04Å; L395-L485 HydrophobicContact CD2-CD2 4.08Å; L395-L485 HydrophobicContact CG-CD2 4.3Å; L395-I489 HydrophobicContact CD1-CG2 3.85Å; L395-V596 HydrophobicContact CD2-CB 4.08Å; L395-V596 HydrophobicContact CD2-CG1 3.69Å; L395-V596 VanDerWaalsContact CD2-O 3.29Å; L395-V596 WeakPolarHBondContact CD2-O 3.47Å; L395-D598 HydrophobicContact CB-CB 4.33Å; L395-D598 HydrophobicContact CD1-CB 3.88Å
396	P	90.5	Very high	93.1	Very high	34 Å²	34	27.2 Å²	27.2	22%	0.221	14%	0.137	C	C	.	.	P	Polyproline II helix	cis	-82.1	140	2.8	32.7	-35.2	0	0	0	113.9	I398 V596 L597 R705	P396-I398 HydrophobicContact CB-CD1 3.97Å; P396-I398 HydrophobicContact CB-CG1 4.4Å; P396-I398 HydrophobicContact CG-CD1 4.17Å; P396-V596 WeakPolarHBondContact CA-O 3.41Å; P396-L597 HydrophobicContact CB-CD2 3.35Å; P396-R705 HydrophobicContact CG-CB 4.06Å; P396-R705 PolarHBondContact O-NH2 2.95Å; P396-R705 VanDerWaalsContact O-NH2 3.11Å
397	F	93.4	Very high	93.1	Very high	6 Å²	6	34 Å²	34	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.9	164.7	172.8	-95.6	0	0	0	110	I429 F479 L481 V483 M595 V596	F397-I429 HydrophobicContact CE2-CB 4.37Å; F397-I429 HydrophobicContact CE2-CG1 4.45Å; F397-I429 HydrophobicContact CE2-CG2 4.13Å; F397-I429 HydrophobicContact CZ-CG2 4.49Å; F397-F479 AromaticContact CE1-CD2 3.96Å; F397-F479 HydrophobicContact CE1-CD2 3.96Å; F397-F479 HydrophobicContact CE1-CE2 4.03Å; F397-F479 HydrophobicContact CZ-CD1 4.16Å; F397-F479 AromaticContact CZ-CD2 3.75Å; F397-F479 HydrophobicContact CZ-CD2 3.75Å; F397-F479 HydrophobicContact CZ-CE1 4.24Å; F397-F479 AromaticContact CZ-CE2 3.84Å; F397-F479 HydrophobicContact CZ-CE2 3.84Å; F397-F479 AromaticContact CZ-CG 3.93Å; F397-F479 HydrophobicContact CZ-CG 3.93Å; F397-F479 HydrophobicContact CZ-CZ 4.09Å; F397-L481 HydrophobicContact CD1-CD1 4.08Å; F397-L481 HydrophobicContact CD2-CD1 3.79Å; F397-L481 HydrophobicContact CD2-CD2 4.33Å; F397-L481 HydrophobicContact CE1-CD1 3.82Å; F397-L481 HydrophobicContact CE2-CD1 3.5Å; F397-L481 HydrophobicContact CE2-CD2 3.69Å; F397-L481 HydrophobicContact CE2-CG 4.26Å; F397-L481 HydrophobicContact CG-CD1 4.08Å; F397-L481 HydrophobicContact CZ-CD1 3.53Å; F397-L481 HydrophobicContact CZ-CD2 4.19Å; F397-L481 HydrophobicContact CZ-CG 4.49Å; F397-V483 HydrophobicContact CB-CG2 4.37Å; F397-M595 CarbonylContact O-C 3.53Å; F397-M595 WeakPolarHBondContact O-CA 3.48Å; F397-V596 HydrophobicContact CB-CB 4.33Å; F397-V596 HydrophobicContact CD1-CG2 4.29Å; F397-V596 PolarHBondContact N-O 2.92Å; F397-V596 PolarHBondContact O-N 2.94Å
398	I	93.6	Very high	93.4	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.8	-175.7	-67.5	153.4	0	0	0	108.3	P396 I594 M595 L597 R650 R705	P396-I398 HydrophobicContact CB-CD1 3.97Å; P396-I398 HydrophobicContact CB-CG1 4.4Å; P396-I398 HydrophobicContact CG-CD1 4.17Å; I398-I594 WeakPolarHBondContact CA-O 3.46Å; I398-M595 HydrophobicContact CD1-CE 4.23Å; I398-M595 HydrophobicContact CG1-CB 4.32Å; I398-M595 HydrophobicContact CG1-CE 4.06Å; I398-M595 HydrophobicContact CG1-CG 4.18Å; I398-M595 HydrophobicContact CG2-CG 4.45Å; I398-L597 HydrophobicContact CD1-CD2 4.23Å; I398-L597 HydrophobicContact CG1-CD2 4.17Å; I398-R650 VanDerWaalsContact CG2-NH2 3.26Å; I398-R705 HydrophobicContact CD1-CB 3.6Å; I398-R705 HydrophobicContact CD1-CG 4.43Å; I398-R705 WeakPolarHBondContact CD1-O 3.48Å
399	S	96.5	Very high	93.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	125.9	162.4	-178.5	0	0	0	0	111.3	F401 E428 I429 F479 E593 I594	S399-F401 VanDerWaalsContact C-N 3.31Å; S399-F401 PolarHBondContact OG-N 2.66Å; S399-E428 WeakPolarHBondContact CA-OE2 3.42Å; S399-I429 WeakPolarHBondContact CB-O 3.4Å; S399-I429 PolarHBondContact OG-O 2.61Å; S399-F479 VanDerWaalsContact CB-CZ 3.48Å; S399-E593 CarbonylContact O-C 3.56Å; S399-E593 WeakPolarHBondContact O-CA 3.33Å; S399-I594 PolarHBondContact N-O 3.31Å; S399-I594 PolarHBondContact O-N 2.73Å
400	S	96.8	Very high	94	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.			trans	-89.9	2	164.8	80	0	0	0	0	112.7	C402 E428 D455 G592	S400-C402 PolarHBondContact O-N 2.79Å; S400-C402 VanDerWaalsContact O-N 3.17Å; S400-C402 WeakPolarHBondContact OG-CB 3.24Å; S400-C402 PolarHBondContact OG-N 2.84Å; S400-E428 PolarHBondContact N-OE2 3.24Å; S400-D455 WeakPolarHBondContact CB-O 3.49Å; S400-D455 PolarHBondContact OG-O 2.9Å; S400-G592 CarbonylContact C-O 3.59Å; S400-G592 VanDerWaalsContact CA-O 3.28Å; S400-G592 WeakPolarHBondContact CA-O 3.47Å
401	F	97.8	Very high	94.1	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.139	C	C	.	.			trans	62.3	14.5	-175.2	-41.5	-83.7	0	0	0	114.2	S399 Q403 P431 C458 L460 I478 F479 V591 I594	S399-F401 VanDerWaalsContact C-N 3.31Å; S399-F401 PolarHBondContact OG-N 2.66Å; F401-Q403 PolarHBondContact O-N 3.33Å; F401-Q403 VanDerWaalsContact O-N 3.17Å; F401-P431 HydrophobicContact CD1-CB 4Å; F401-P431 HydrophobicContact CD1-CG 3.8Å; F401-P431 HydrophobicContact CE1-CB 4.1Å; F401-P431 HydrophobicContact CE1-CG 4.39Å; F401-C458 CarbonylContact C-O 3.3Å; F401-L460 HydrophobicContact CB-CB 4.36Å; F401-L460 HydrophobicContact CD1-CB 3.83Å; F401-L460 HydrophobicContact CD1-CD2 4.26Å; F401-L460 HydrophobicContact CD2-CB 3.99Å; F401-L460 HydrophobicContact CE1-CB 4.05Å; F401-L460 HydrophobicContact CE1-CD2 3.86Å; F401-L460 HydrophobicContact CE2-CB 4.25Å; F401-L460 HydrophobicContact CG-CB 3.78Å; F401-L460 HydrophobicContact CZ-CB 4.26Å; F401-L460 HydrophobicContact CZ-CD2 4.3Å; F401-I478 HydrophobicContact CE1-CG2 3.71Å; F401-I478 HydrophobicContact CZ-CG2 4.23Å; F401-F479 AromaticContact CD1-CZ 3.88Å; F401-F479 HydrophobicContact CD1-CZ 3.88Å; F401-F479 HydrophobicContact CE1-CE1 4.36Å; F401-F479 AromaticContact CE1-CE2 3.63Å; F401-F479 HydrophobicContact CE1-CE2 3.63Å; F401-F479 AromaticContact CE1-CZ 3.32Å; F401-F479 HydrophobicContact CE1-CZ 3.32Å; F401-F479 HydrophobicContact CZ-CE2 4.1Å; F401-F479 HydrophobicContact CZ-CZ 4.16Å; F401-V591 VanDerWaalsContact CD2-O 3.23Å; F401-V591 WeakPolarHBondContact CD2-O 3.28Å; F401-V591 HydrophobicContact CE2-CB 4.05Å; F401-V591 HydrophobicContact CE2-CG1 3.72Å; F401-V591 WeakPolarHBondContact CE2-O 3.18Å; F401-V591 HydrophobicContact CZ-CB 4.3Å; F401-V591 HydrophobicContact CZ-CG1 3.88Å; F401-I594 HydrophobicContact CZ-CD1 3.92Å; F401-I594 HydrophobicContact CZ-CG1 4Å
402	C	97.6	Very high	94	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.02	15%	0.145	C	C	.	.			trans	-59.3	123	176.3	179.6	0	0	0	0	110.3	S400 G404 Q427 E428 Q430 G457	S400-C402 PolarHBondContact O-N 2.79Å; S400-C402 VanDerWaalsContact O-N 3.17Å; S400-C402 WeakPolarHBondContact OG-CB 3.24Å; S400-C402 PolarHBondContact OG-N 2.84Å; C402-G404 VanDerWaalsContact C-N 3.29Å; C402-G404 PolarHBondContact O-N 3.49Å; C402-G404 PolarHBondContact SG-N 3.4Å; C402-G404 VanDerWaalsContact SG-N 3.43Å; C402-Q427 CarbonylContact O-C 3.54Å; C402-Q427 WeakPolarHBondContact O-CA 3.41Å; C402-E428 HydrophobicContact CB-CG 4.35Å; C402-E428 PolarHBondContact O-N 3.01Å; C402-Q430 PolarHBondContact O-NE2 3.19Å; C402-G457 PolarHBondContact SG-N 2.93Å
403	Q	97	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.			trans	-85.9	1.3	-179.4	-76.9	173.9	-31.5	0	0	113.8	Y147 F401 F405 Q427 Y433 C458	Y147-Q403 HydrophobicContact CD1-CG 4.24Å; Y147-Q403 HydrophobicContact CG-CG 4.21Å; F401-Q403 PolarHBondContact O-N 3.33Å; F401-Q403 VanDerWaalsContact O-N 3.17Å; Q403-F405 HydrophobicContact CB-CD1 3.88Å; Q403-F405 HydrophobicContact CB-CE1 3.62Å; Q403-Q427 PolarHBondContact O-NE2 2.92Å; Q403-Y433 PolarHBondContact NE2-OH 3.03Å; Q403-C458 HydrophobicContact CB-CB 4.44Å; Q403-C458 HydrophobicContact CG-CB 4.32Å; Q403-C458 PolarHBondContact OE1-SG 3.3Å
404	G	96.3	Very high	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	80	14.6	-174.7	0	0	0	0	0	114.2	C402 F422 N423	C402-G404 VanDerWaalsContact C-N 3.29Å; C402-G404 PolarHBondContact O-N 3.49Å; C402-G404 PolarHBondContact SG-N 3.4Å; C402-G404 VanDerWaalsContact SG-N 3.43Å; G404-F422 CarbonylContact O-C 3.06Å; G404-N423 VanDerWaalsContact CA-O 3.29Å; G404-N423 WeakPolarHBondContact CA-O 3.46Å; G404-N423 CarbonylContact O-C 3.59Å; G404-N423 VanDerWaalsContact O-C 3.31Å; G404-N423 PolarHBondContact O-N 2.65Å
405	F	95.9	Very high	94	Very high	23 Å²	23	31.2 Å²	31.2	10%	0.101	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	163.7	171.8	70.2	-79.4	0	0	0	110.5	P143 A145 Y147 Q403 W421 F422	P143-F405 HydrophobicContact CG-CB 3.86Å; P143-F405 HydrophobicContact CG-CD2 4.05Å; P143-F405 HydrophobicContact CG-CG 4.05Å; A145-F405 HydrophobicContact CB-CD1 3.39Å; A145-F405 HydrophobicContact CB-CE1 3.44Å; A145-F405 VanDerWaalsContact CB-CE1 3.44Å; A145-F405 HydrophobicContact CB-CG 4.24Å; A145-F405 HydrophobicContact CB-CZ 4.31Å; Y147-F405 HydrophobicContact CD1-CE1 4.21Å; Y147-F405 HydrophobicContact CE1-CE1 4.3Å; Y147-F405 HydrophobicContact CE1-CZ 4.32Å; Q403-F405 HydrophobicContact CB-CD1 3.88Å; Q403-F405 HydrophobicContact CB-CE1 3.62Å; F405-W421 WeakPolarHBondContact CA-O 3.44Å; F405-W421 VanDerWaalsContact CB-O 3.3Å; F405-W421 WeakPolarHBondContact CB-O 3.36Å; F405-F422 HydrophobicContact CB-CB 4.45Å; F405-F422 HydrophobicContact CB-CD2 4.08Å
406	G	94.4	Very high	94.1	Very high	8 Å²	8	31.8 Å²	31.8	8%	0.082	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	172.6	175.3	0	0	0	0	0	112.1	A408 S420 W421	G406-A408 VanDerWaalsContact C-N 3.27Å; G406-S420 CarbonylContact O-C 3.56Å; G406-S420 VanDerWaalsContact O-CA 3.26Å; G406-S420 WeakPolarHBondContact O-CA 3.24Å; G406-W421 PolarHBondContact N-O 2.79Å; G406-W421 VanDerWaalsContact N-O 3.11Å; G406-W421 PolarHBondContact O-N 2.88Å
407	K	93.6	Very high	94	Very high	157 Å²	157	33 Å²	33	68%	0.683	16%	0.158	S	C	*	.	S	Bend	trans	-79.7	-12.7	175	-65.5	-177.3	179.3	178.6	0	113.2	K419 S420	K407-K419 CarbonylContact C-O 3.57Å; K407-K419 CarbonylContact O-C 3.52Å; K407-K419 PolarHBondContact O-N 2.94Å; K407-K419 VanDerWaalsContact O-O 3.1Å; K407-S420 PolarHBondContact O-N 3.21Å
408	A	94.4	Very high	93.8	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	19%	0.186	C	C	.	.	S	Bend	trans	-152.3	158.3	176.5	0	0	0	0	0	109.5	G406 Y410 T417 W421	G406-A408 VanDerWaalsContact C-N 3.27Å; A408-Y410 HydrophobicContact CB-CD2 4.41Å; A408-Y410 HydrophobicContact CB-CE2 3.84Å; A408-T417 CarbonylContact C-O 3.55Å; A408-T417 WeakPolarHBondContact CA-O 3.18Å; A408-T417 WeakPolarHBondContact CB-O 3.42Å; A408-W421 PolarHBondContact O-NE1 2.88Å
409	V	95	Very high	93.7	Very high	15 Å²	15	43 Å²	43	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.7	166.4	-177.1	0	0	0	0	107.3	E416 T417 W421 G456 R676	V409-E416 HydrophobicContact CG1-CB 4.42Å; V409-E416 PolarHBondContact O-N 3.34Å; V409-T417 VanDerWaalsContact CB-OG1 3.26Å; V409-T417 WeakPolarHBondContact CB-OG1 3.46Å; V409-T417 WeakPolarHBondContact CG2-OG1 3.2Å; V409-T417 PolarHBondContact N-O 3.17Å; V409-T417 PolarHBondContact O-N 2.95Å; V409-W421 HydrophobicContact CG2-CD2 3.82Å; V409-W421 HydrophobicContact CG2-CG 3.8Å; V409-W421 HydrophobicContact CG2-CZ2 4.13Å; V409-G456 CarbonylContact C-O 3.52Å; V409-G456 WeakPolarHBondContact CA-O 3.33Å; V409-R676 VanDerWaalsContact CG1-CZ 3.5Å
410	Y	94.7	Very high	93.6	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	150	178.5	-63.8	-102.1	0	0	0	110.6	A408 Q414 H415 E451 A453 D455 G456 R676	A408-Y410 HydrophobicContact CB-CD2 4.41Å; A408-Y410 HydrophobicContact CB-CE2 3.84Å; Y410-Q414 CarbonylContact C-O 3.54Å; Y410-Q414 WeakPolarHBondContact CA-O 3.49Å; Y410-H415 AromaticContact CD1-CD2 3.75Å; Y410-H415 AromaticContact CE1-CD2 3.25Å; Y410-H415 WeakPolarHBondContact CE1-CD2 3.45Å; Y410-H415 AromaticContact CE1-NE2 3.4Å; Y410-H415 WeakPolarHBondContact CE1-NE2 3.3Å; Y410-H415 AromaticContact CZ-CD2 3.74Å; Y410-H415 AromaticContact CZ-NE2 3.62Å; Y410-H415 PolarHBondContact OH-NE2 3.18Å; Y410-E451 PolarHBondContact OH-O 2.87Å; Y410-A453 VanDerWaalsContact CB-O 3.32Å; Y410-A453 WeakPolarHBondContact CB-O 3.33Å; Y410-A453 HydrophobicContact CD1-CB 4.43Å; Y410-A453 WeakPolarHBondContact CD1-O 3.36Å; Y410-A453 HydrophobicContact CD2-CB 3.65Å; Y410-A453 HydrophobicContact CE2-CB 4.12Å; Y410-A453 HydrophobicContact CG-CB 3.82Å; Y410-D455 WeakPolarHBondContact O-CA 3.25Å; Y410-G456 WeakPolarHBondContact CD2-O 3.2Å; Y410-G456 PolarHBondContact N-O 3.13Å; Y410-G456 PolarHBondContact O-N 3.29Å; Y410-R676 PolarHBondContact O-NH2 3.47Å
411	R	92.2	Very high	93.6	Very high	63 Å²	63	45.9 Å²	45.9	24%	0.238	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	123.1	167.9	-172.2	178.5	-176.2	-151.8	11.6	108.6	G413 Q414 E416 W454 R653 E701	R411-G413 PolarHBondContact O-N 3.43Å; R411-Q414 PolarHBondContact N-O 3.1Å; R411-Q414 PolarHBondContact O-N 3.47Å; R411-E416 HydrophobicContact CB-CB 4.27Å; R411-E416 WeakPolarHBondContact CD-OE1 3.44Å; R411-W454 CarbonylContact C-O 3.6Å; R411-W454 VanDerWaalsContact C-O 3.3Å; R411-W454 WeakPolarHBondContact CA-O 3.41Å; R411-R653 VanDerWaalsContact CZ-NH1 3.28Å; R411-E701 IonicContact NH2-OE1 2.86Å
412	K	90.4	Very high	93.6	Very high	56 Å²	56	46 Å²	46	24%	0.243	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	42	-175.8	-58.7	-178.7	179.3	-173.2	0	112.6	Q414 W454 E545 L546	K412-Q414 VanDerWaalsContact C-N 3.29Å; K412-Q414 PolarHBondContact O-N 2.67Å; K412-W454 VanDerWaalsContact C-CE3 3.44Å; K412-W454 VanDerWaalsContact C-CZ3 3.42Å; K412-W454 HydrophobicContact CB-CH2 3.95Å; K412-W454 HydrophobicContact CB-CZ2 4.02Å; K412-W454 HydrophobicContact CB-CZ3 4.35Å; K412-W454 HydrophobicContact CG-CH2 4.46Å; K412-W454 HydrophobicContact CG-CZ2 4.09Å; K412-W454 PolarHBondContact N-O 2.98Å; K412-E545 PolarHBondContact NZ-O 2.67Å; K412-L546 WeakPolarHBondContact CD-O 3.47Å
413	G	91.8	Very high	93.5	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	2.1	178.4	0	0	0	0	0	115.9	R411 A453 W454	R411-G413 PolarHBondContact O-N 3.43Å; G413-A453 WeakPolarHBondContact CA-O 3.41Å; G413-W454 PolarHBondContact N-O 3.33Å
414	Q	91.3	Very high	93.5	Very high	102 Å²	102	46.3 Å²	46.3	48%	0.477	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.1	-179.9	-62.1	179.5	26.4	0	0	111.5	Y410 R411 K412 E416 H553	Y410-Q414 CarbonylContact C-O 3.54Å; Y410-Q414 WeakPolarHBondContact CA-O 3.49Å; R411-Q414 PolarHBondContact N-O 3.1Å; R411-Q414 PolarHBondContact O-N 3.47Å; K412-Q414 VanDerWaalsContact C-N 3.29Å; K412-Q414 PolarHBondContact O-N 2.67Å; Q414-E416 PolarHBondContact O-N 3.11Å; Q414-E416 VanDerWaalsContact O-N 3.16Å; Q414-H553 VanDerWaalsContact CG-CD2 3.45Å; Q414-H553 WeakPolarHBondContact CG-CD2 3.43Å; Q414-H553 WeakPolarHBondContact CG-NE2 2.95Å; Q414-H553 PolarHBondContact NE2-CD2 3.05Å; Q414-H553 PolarHBondContact NE2-NE2 3.2Å
415	H	91.5	Very high	93.4	Very high	116 Å²	116	46.6 Å²	46.6	54%	0.537	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	111.1	172.8	-64	177.7	0	0	0	110.3	Y410	Y410-H415 AromaticContact CD1-CD2 3.75Å; Y410-H415 AromaticContact CE1-CD2 3.25Å; Y410-H415 WeakPolarHBondContact CE1-CD2 3.45Å; Y410-H415 AromaticContact CE1-NE2 3.4Å; Y410-H415 WeakPolarHBondContact CE1-NE2 3.3Å; Y410-H415 AromaticContact CZ-CD2 3.74Å; Y410-H415 AromaticContact CZ-NE2 3.62Å; Y410-H415 PolarHBondContact OH-NE2 3.18Å
416	E	90.5	Very high	93.4	Very high	44 Å²	44	45.8 Å²	45.8	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-40.4	165.9	-175.8	168.6	-114.1	0	0	110.1	V409 R411 Q414 R653 L673 R676	V409-E416 HydrophobicContact CG1-CB 4.42Å; V409-E416 PolarHBondContact O-N 3.34Å; R411-E416 HydrophobicContact CB-CB 4.27Å; R411-E416 WeakPolarHBondContact CD-OE1 3.44Å; Q414-E416 PolarHBondContact O-N 3.11Å; Q414-E416 VanDerWaalsContact O-N 3.16Å; E416-R653 IonicContact OE1-CZ 2.76Å; E416-R653 VanDerWaalsContact OE1-CZ 3.26Å; E416-R653 IonicContact OE1-NE 2.81Å; E416-R653 PolarHBondContact OE1-NE 3.14Å; E416-R653 IonicContact OE1-NH2 3.62Å; E416-R653 PolarHBondContact OE1-NH2 2.89Å; E416-L673 HydrophobicContact CG-CD2 3.52Å; E416-L673 WeakPolarHBondContact OE1-CD2 3.44Å; E416-R676 IonicContact OE2-CZ 2.9Å; E416-R676 IonicContact OE2-NE 3.73Å; E416-R676 PolarHBondContact OE2-NE 3.45Å; E416-R676 IonicContact OE2-NH2 3.53Å; E416-R676 PolarHBondContact OE2-NH2 3.21Å
417	T	89.3	Confident	93.5	Very high	59 Å²	59	45.4 Å²	45.4	36%	0.362	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	131	170.3	58.5	0	0	0	0	110.8	A408 V409 K419	A408-T417 CarbonylContact C-O 3.55Å; A408-T417 WeakPolarHBondContact CA-O 3.18Å; A408-T417 WeakPolarHBondContact CB-O 3.42Å; V409-T417 VanDerWaalsContact CB-OG1 3.26Å; V409-T417 WeakPolarHBondContact CB-OG1 3.46Å; V409-T417 WeakPolarHBondContact CG2-OG1 3.2Å; V409-T417 PolarHBondContact N-O 3.17Å; V409-T417 PolarHBondContact O-N 2.95Å; T417-K419 PolarHBondContact O-N 3.46Å
418	A	89.3	Confident	93.6	Very high	76 Å²	76	39.1 Å²	39.1	63%	0.628	20%	0.201	S	C	*	.			trans	-97.1	54.1	178	0	0	0	0	0	111.9
419	K	91.8	Very high	93.7	Very high	155 Å²	155	40 Å²	40	67%	0.674	21%	0.205	S	C	*	.	S	Bend	trans	-135.4	146.9	177.8	-67.1	-176.4	-179.1	178.6	0	110.1	K407 T417	K407-K419 CarbonylContact C-O 3.57Å; K407-K419 CarbonylContact O-C 3.52Å; K407-K419 PolarHBondContact O-N 2.94Å; K407-K419 VanDerWaalsContact O-O 3.1Å; T417-K419 PolarHBondContact O-N 3.46Å
420	S	94.9	Very high	93.8	Very high	29 Å²	29	39.7 Å²	39.7	20%	0.203	20%	0.203	C	C	.	.			trans	-62.4	137.5	172.8	-54.7	0	0	0	0	110.7	S139 S140 G406 K407	S139-S420 WeakPolarHBondContact CA-O 3.47Å; S140-S420 WeakPolarHBondContact O-CB 3.27Å; G406-S420 CarbonylContact O-C 3.56Å; G406-S420 VanDerWaalsContact O-CA 3.26Å; G406-S420 WeakPolarHBondContact O-CA 3.24Å; K407-S420 PolarHBondContact O-N 3.21Å
421	W	96	Very high	93.9	Very high	31 Å²	31	39.1 Å²	39.1	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.6	-174.1	69.8	-79.5	0	0	0	111.5	T138 F405 G406 A408 V409 N423 A426	T138-W421 CarbonylContact O-C 3.59Å; T138-W421 VanDerWaalsContact O-CA 3.31Å; T138-W421 WeakPolarHBondContact O-CA 3.33Å; F405-W421 WeakPolarHBondContact CA-O 3.44Å; F405-W421 VanDerWaalsContact CB-O 3.3Å; F405-W421 WeakPolarHBondContact CB-O 3.36Å; G406-W421 PolarHBondContact N-O 2.79Å; G406-W421 VanDerWaalsContact N-O 3.11Å; G406-W421 PolarHBondContact O-N 2.88Å; A408-W421 PolarHBondContact O-NE1 2.88Å; V409-W421 HydrophobicContact CG2-CD2 3.82Å; V409-W421 HydrophobicContact CG2-CG 3.8Å; V409-W421 HydrophobicContact CG2-CZ2 4.13Å; W421-N423 HydrophobicContact CE3-CB 4.31Å; W421-N423 HydrophobicContact CZ3-CB 4.15Å; W421-A426 HydrophobicContact CH2-CB 3.79Å; W421-A426 HydrophobicContact CZ3-CB 3.68Å
422	F	97.1	Very high	94.1	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	124.6	175.9	171.5	-103.6	0	0	0	109.9	D131 D132 G137 T138 P143 A145 G404 F405 L424	D131-F422 HydrophobicContact CB-CD1 3.74Å; D131-F422 HydrophobicContact CB-CE1 3.9Å; D132-F422 HydrophobicContact CB-CE1 4.11Å; D132-F422 HydrophobicContact CB-CZ 4.26Å; G137-F422 CarbonylContact C-O 3.39Å; G137-F422 WeakPolarHBondContact CA-O 3.34Å; T138-F422 PolarHBondContact N-O 2.82Å; T138-F422 PolarHBondContact O-N 2.79Å; P143-F422 HydrophobicContact CB-CB 3.91Å; P143-F422 HydrophobicContact CB-CD1 4.44Å; P143-F422 HydrophobicContact CB-CD2 3.39Å; P143-F422 HydrophobicContact CB-CE2 3.97Å; P143-F422 HydrophobicContact CB-CG 3.66Å; P143-F422 HydrophobicContact CG-CB 3.92Å; P143-F422 HydrophobicContact CG-CD2 3.58Å; P143-F422 HydrophobicContact CG-CE2 4.43Å; P143-F422 HydrophobicContact CG-CG 4.02Å; A145-F422 HydrophobicContact CB-CE2 4.04Å; G404-F422 CarbonylContact O-C 3.06Å; F405-F422 HydrophobicContact CB-CB 4.45Å; F405-F422 HydrophobicContact CB-CD2 4.08Å; F422-L424 HydrophobicContact CE2-CD1 4.11Å; F422-L424 HydrophobicContact CE2-CD2 3.87Å; F422-L424 HydrophobicContact CE2-CG 3.62Å; F422-L424 HydrophobicContact CZ-CD1 3.82Å; F422-L424 HydrophobicContact CZ-CD2 4.38Å; F422-L424 HydrophobicContact CZ-CG 3.64Å
423	N	96.6	Very high	94.3	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.048	18%	0.184	C	C	.	.			trans	-159.3	104.7	168.4	-174	-23	0	0	0	109.3	Q136 G404 W421 A425 A426	Q136-N423 VanDerWaalsContact C-ND2 3.27Å; Q136-N423 PolarHBondContact O-ND2 3.41Å; G404-N423 VanDerWaalsContact CA-O 3.29Å; G404-N423 WeakPolarHBondContact CA-O 3.46Å; G404-N423 CarbonylContact O-C 3.59Å; G404-N423 VanDerWaalsContact O-C 3.31Å; G404-N423 PolarHBondContact O-N 2.65Å; W421-N423 HydrophobicContact CE3-CB 4.31Å; W421-N423 HydrophobicContact CZ3-CB 4.15Å; N423-A425 PolarHBondContact O-N 3.5Å; N423-A425 WeakPolarHBondContact OD1-CB 3.41Å; N423-A425 PolarHBondContact OD1-N 3.48Å; N423-A426 HydrophobicContact CB-CB 4.49Å; N423-A426 WeakPolarHBondContact O-CB 3.4Å; N423-A426 PolarHBondContact O-N 2.87Å
424	L	96.4	Very high	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.8	-17.4	-178.9	-65.7	173.6	0	0	0	113.9	A145 V169 W170 A173 F422 A426 Q427	A145-L424 HydrophobicContact CB-CD2 4.05Å; V169-L424 HydrophobicContact CB-CB 4.02Å; V169-L424 HydrophobicContact CG2-CB 4.44Å; V169-L424 WeakPolarHBondContact O-CB 3.19Å; W170-L424 HydrophobicContact CD2-CD1 3.61Å; W170-L424 HydrophobicContact CE3-CD1 3.56Å; W170-L424 HydrophobicContact CG-CD1 4.37Å; W170-L424 HydrophobicContact CH2-CD1 3.65Å; W170-L424 HydrophobicContact CZ2-CD1 3.7Å; W170-L424 HydrophobicContact CZ3-CD1 3.56Å; A173-L424 HydrophobicContact CB-CB 4.21Å; F422-L424 HydrophobicContact CE2-CD1 4.11Å; F422-L424 HydrophobicContact CE2-CD2 3.87Å; F422-L424 HydrophobicContact CE2-CG 3.62Å; F422-L424 HydrophobicContact CZ-CD1 3.82Å; F422-L424 HydrophobicContact CZ-CD2 4.38Å; F422-L424 HydrophobicContact CZ-CG 3.64Å; L424-A426 PolarHBondContact O-N 3.26Å; L424-Q427 WeakPolarHBondContact O-CB 3.34Å; L424-Q427 PolarHBondContact O-N 2.98Å
425	A	94.8	Very high	94.5	Very high	7 Å²	7	37.5 Å²	37.5	6%	0.058	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63.3	-25.9	170.8	0	0	0	0	0	112	K176 N423 Q427 Y678	K176-A425 PolarHBondContact NZ-O 2.77Å; N423-A425 PolarHBondContact O-N 3.5Å; N423-A425 WeakPolarHBondContact OD1-CB 3.41Å; N423-A425 PolarHBondContact OD1-N 3.48Å; A425-Q427 VanDerWaalsContact C-N 3.29Å; A425-Q427 PolarHBondContact O-N 3.21Å; A425-Y678 HydrophobicContact CB-CD2 4.06Å; A425-Y678 HydrophobicContact CB-CG 3.92Å
426	A	95.7	Very high	94.5	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-76.2	-12.2	174	0	0	0	0	0	114.2	W421 N423 L424 E428 Y678	W421-A426 HydrophobicContact CH2-CB 3.79Å; W421-A426 HydrophobicContact CZ3-CB 3.68Å; N423-A426 HydrophobicContact CB-CB 4.49Å; N423-A426 WeakPolarHBondContact O-CB 3.4Å; N423-A426 PolarHBondContact O-N 2.87Å; L424-A426 PolarHBondContact O-N 3.26Å; A426-E428 PolarHBondContact O-N 3.25Å; A426-Y678 VanDerWaalsContact CA-CE1 3.49Å; A426-Y678 HydrophobicContact CB-CE1 3.83Å; A426-Y678 HydrophobicContact CB-CE2 3.75Å; A426-Y678 WeakPolarHBondContact CB-OH 3.42Å
427	Q	97.3	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.			trans	-65.3	123.1	-177.1	-172.5	178.2	84	0	0	110.2	F146 K176 C402 Q403 L424 A425 Q430	F146-Q427 PolarHBondContact O-NE2 2.95Å; K176-Q427 VanDerWaalsContact CD-O 3.29Å; K176-Q427 WeakPolarHBondContact CD-O 3.29Å; K176-Q427 WeakPolarHBondContact CE-O 3.49Å; K176-Q427 PolarHBondContact NZ-O 2.94Å; C402-Q427 CarbonylContact O-C 3.54Å; C402-Q427 WeakPolarHBondContact O-CA 3.41Å; Q403-Q427 PolarHBondContact O-NE2 2.92Å; L424-Q427 WeakPolarHBondContact O-CB 3.34Å; L424-Q427 PolarHBondContact O-N 2.98Å; A425-Q427 VanDerWaalsContact C-N 3.29Å; A425-Q427 PolarHBondContact O-N 3.21Å; Q427-Q430 HydrophobicContact CG-CG 4.3Å
428	E	95.7	Very high	94.7	Very high	25 Å²	25	37.6 Å²	37.6	12%	0.117	21%	0.205	C	C	.	.			trans	-87.3	-179.6	175.4	-65.5	-154.7	174.4	0	0	111.3	H177 S399 S400 C402 A426 Q430 R650	H177-E428 PolarHBondContact CE1-O 3.01Å; S399-E428 WeakPolarHBondContact CA-OE2 3.42Å; S400-E428 PolarHBondContact N-OE2 3.24Å; C402-E428 HydrophobicContact CB-CG 4.35Å; C402-E428 PolarHBondContact O-N 3.01Å; A426-E428 PolarHBondContact O-N 3.25Å; E428-Q430 PolarHBondContact O-N 2.97Å; E428-Q430 PolarHBondContact O-NE2 2.93Å; E428-R650 IonicContact OE1-NH1 3.57Å
429	I	96.1	Very high	94.7	Very high	23 Å²	23	41.4 Å²	41.4	12%	0.118	21%	0.21	C	C	.	.			trans	-61.6	122.6	177.2	-64.8	-71.9	0	0	0	109.5	K176 F397 S399 F479	K176-I429 HydrophobicContact CG-CD1 3.76Å; K176-I429 HydrophobicContact CG-CG1 4.33Å; K176-I429 WeakPolarHBondContact O-CD1 3.34Å; F397-I429 HydrophobicContact CE2-CB 4.37Å; F397-I429 HydrophobicContact CE2-CG1 4.45Å; F397-I429 HydrophobicContact CE2-CG2 4.13Å; F397-I429 HydrophobicContact CZ-CG2 4.49Å; S399-I429 WeakPolarHBondContact CB-O 3.4Å; S399-I429 PolarHBondContact OG-O 2.61Å; I429-F479 HydrophobicContact CG2-CD1 4.12Å; I429-F479 HydrophobicContact CG2-CE1 3.88Å
430	Q	97.1	Very high	94.5	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.042	20%	0.202	C	C	.	.			trans	-82.1	145.2	-176.3	-60.4	-56.6	-58.3	0	0	112.6	Y147 H177 C402 Q427 E428 Y433 F479	Y147-Q430 WeakPolarHBondContact O-CB 3.08Å; H177-Q430 PolarHBondContact NE2-N 3.34Å; C402-Q430 PolarHBondContact O-NE2 3.19Å; Q427-Q430 HydrophobicContact CG-CG 4.3Å; E428-Q430 PolarHBondContact O-N 2.97Å; E428-Q430 PolarHBondContact O-NE2 2.93Å; Q430-Y433 HydrophobicContact CB-CE2 4.42Å; Q430-Y433 PolarHBondContact OE1-OH 2.84Å; Q430-F479 WeakPolarHBondContact O-CE1 3.34Å
431	P	96.6	Very high	94.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.229	C	C	.	.			trans	-80.4	176.4	179.2	35.8	-35.3	0	0	0	112	Q150 F401 Y433 L460 I478 F479	Q150-P431 PolarHBondContact NE2-O 3.24Å; F401-P431 HydrophobicContact CD1-CB 4Å; F401-P431 HydrophobicContact CD1-CG 3.8Å; F401-P431 HydrophobicContact CE1-CB 4.1Å; F401-P431 HydrophobicContact CE1-CG 4.39Å; P431-Y433 WeakPolarHBondContact CD-OH 3.29Å; P431-Y433 HydrophobicContact CG-CD1 4.48Å; P431-Y433 HydrophobicContact CG-CE1 3.82Å; P431-Y433 HydrophobicContact CG-CE2 4.3Å; P431-L460 HydrophobicContact CB-CD1 4.18Å; P431-L460 HydrophobicContact CB-CD2 4.04Å; P431-L460 HydrophobicContact CG-CD1 3.58Å; P431-L460 HydrophobicContact CG-CD2 4.25Å; P431-L460 HydrophobicContact CG-CG 4.41Å; P431-I478 CarbonylContact C-O 3.53Å; P431-I478 WeakPolarHBondContact CA-O 3.17Å; P431-I478 HydrophobicContact CB-CG2 3.84Å; P431-F479 HydrophobicContact CB-CE1 4.05Å; P431-F479 HydrophobicContact CB-CZ 4.35Å
432	L	95.5	Very high	94.1	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	22%	0.224	C	C	.	.			trans	-76.1	120.8	167.2	-60	-178.7	0	0	0	110.3	Q150 I388 Y434 S446 K477 I478	Q150-L432 HydrophobicContact CB-CD2 4.34Å; Q150-L432 HydrophobicContact CG-CD2 3.91Å; I388-L432 HydrophobicContact CD1-CD1 4.48Å; I388-L432 HydrophobicContact CD1-CD2 4.09Å; I388-L432 HydrophobicContact CG2-CD2 3.93Å; L432-Y434 HydrophobicContact CB-CD1 4.05Å; L432-Y434 HydrophobicContact CB-CE1 4.28Å; L432-Y434 WeakPolarHBondContact O-CD1 3.34Å; L432-S446 WeakPolarHBondContact O-CB 3.17Å; L432-S446 PolarHBondContact O-OG 3.08Å; L432-K477 HydrophobicContact CD1-CD 3.94Å; L432-K477 HydrophobicContact CD1-CG 4Å; L432-I478 PolarHBondContact N-O 3.23Å
433	Y	94.5	Very high	94.1	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.051	24%	0.236	C	C	.	.			trans	-96.3	124.2	172.3	-57.2	-73.4	0	0	0	109.9	Y147 H148 Y151 Q403 Q430 P431 L460	Y147-Y433 HydrophobicContact CD2-CD2 4.18Å; Y147-Y433 AromaticContact CD2-CE2 3.51Å; Y147-Y433 HydrophobicContact CD2-CE2 3.51Å; Y147-Y433 AromaticContact CD2-CZ 3.86Å; Y147-Y433 HydrophobicContact CE2-CD2 4.38Å; Y147-Y433 HydrophobicContact CE2-CE2 4Å; H148-Y433 AromaticContact CE1-CD2 3.72Å; H148-Y433 AromaticContact ND1-CD2 3.67Å; Y151-Y433 PolarHBondContact OH-O 2.8Å; Q403-Y433 PolarHBondContact NE2-OH 3.03Å; Q430-Y433 HydrophobicContact CB-CE2 4.42Å; Q430-Y433 PolarHBondContact OE1-OH 2.84Å; P431-Y433 WeakPolarHBondContact CD-OH 3.29Å; P431-Y433 HydrophobicContact CG-CD1 4.48Å; P431-Y433 HydrophobicContact CG-CE1 3.82Å; P431-Y433 HydrophobicContact CG-CE2 4.3Å; Y433-L460 HydrophobicContact CE1-CD1 4.3Å
434	Y	93.8	Very high	94.1	Very high	45 Å²	45	48.1 Å²	48.1	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	164.7	-176.6	62.7	-91.5	0	0	0	112.3	L432 M436 V444 R445 S446 A476 K477	L432-Y434 HydrophobicContact CB-CD1 4.05Å; L432-Y434 HydrophobicContact CB-CE1 4.28Å; L432-Y434 WeakPolarHBondContact O-CD1 3.34Å; Y434-M436 HydrophobicContact CD2-CB 3.9Å; Y434-M436 HydrophobicContact CD2-CE 4.43Å; Y434-M436 HydrophobicContact CE2-CB 4.02Å; Y434-M436 HydrophobicContact CE2-CE 4.2Å; Y434-V444 HydrophobicContact CE2-CG1 4.33Å; Y434-R445 CarbonylContact O-C 3.58Å; Y434-R445 VanDerWaalsContact O-CA 3.32Å; Y434-R445 WeakPolarHBondContact O-CA 3.35Å; Y434-S446 PolarHBondContact N-O 3.09Å; Y434-S446 PolarHBondContact O-N 3.38Å; Y434-A476 WeakPolarHBondContact OH-CA 3.43Å; Y434-K477 WeakPolarHBondContact CE1-O 3.42Å; Y434-K477 PolarHBondContact OH-N 3.1Å
435	H	94.1	Very high	94.2	Very high	121 Å²	121	52.8 Å²	52.8	56%	0.56	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.4	166.8	176.7	-78	0	0	0	108.5	W443 R445	H435-W443 AromaticContact CD2-CE3 3.95Å; H435-W443 AromaticContact NE2-CD2 3.96Å; H435-W443 AromaticContact NE2-CE3 3.66Å; H435-R445 HydrophobicContact CB-CG 4.48Å
436	M	92.6	Very high	94.3	Very high	93 Å²	93	52.6 Å²	52.6	46%	0.458	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.1	-175.2	-179.4	-178.9	-63.7	0	0	109.9	Y434 L438 W443 V444	Y434-M436 HydrophobicContact CD2-CB 3.9Å; Y434-M436 HydrophobicContact CD2-CE 4.43Å; Y434-M436 HydrophobicContact CE2-CB 4.02Å; Y434-M436 HydrophobicContact CE2-CE 4.2Å; M436-L438 HydrophobicContact SD-CD2 4.49Å; M436-W443 CarbonylContact O-C 3.34Å; M436-W443 VanDerWaalsContact O-CA 3.24Å; M436-W443 WeakPolarHBondContact O-CA 3.36Å; M436-W443 WeakPolarHBondContact O-CB 3.4Å; M436-V444 HydrophobicContact CB-CG1 4.01Å; M436-V444 PolarHBondContact N-O 3.1Å; M436-V444 PolarHBondContact O-N 2.93Å
437	A	93.7	Very high	94.3	Very high	81 Å²	81	53.3 Å²	53.3	67%	0.669	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	141.7	168	0	0	0	0	0	110.1
438	L	90.3	Very high	94.2	Very high	48 Å²	48	53.7 Å²	53.7	25%	0.251	26%	0.259	S	S	.	.			trans	-109.6	175.7	171.5	-53.3	173.1	0	0	0	108.8	M436 G442 V444 L470 I474	M436-L438 HydrophobicContact SD-CD2 4.49Å; L438-G442 PolarHBondContact N-O 2.74Å; L438-V444 HydrophobicContact CD2-CG1 4.36Å; L438-L470 HydrophobicContact CD1-CD2 4.4Å; L438-I474 HydrophobicContact CD1-CD1 3.67Å; L438-I474 HydrophobicContact CD1-CG1 3.92Å
439	E	87.6	Confident	94.1	Very high	155 Å²	155	52.7 Å²	52.7	72%	0.724	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60	160.6	172.8	-63.7	-178.6	173.1	0	0	111.8	R441 G442	E439-R441 PolarHBondContact O-N 2.85Å; E439-R441 VanDerWaalsContact O-N 3.08Å; E439-G442 PolarHBondContact O-N 3.49Å
440	D	87.4	Confident	94	Very high	94 Å²	94	52.7 Å²	52.7	50%	0.503	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	50.4	37.3	173.7	-63.5	-31.7	0	0	0	115.9	G442 P467 T469	D440-G442 PolarHBondContact O-N 3.2Å; D440-P467 HydrophobicContact CB-CB 4.06Å; D440-P467 HydrophobicContact CB-CG 4.44Å; D440-T469 VanDerWaalsContact OD2-CB 3.24Å; D440-T469 WeakPolarHBondContact OD2-CB 3.45Å; D440-T469 WeakPolarHBondContact OD2-CG2 2.88Å; D440-T469 PolarHBondContact OD2-OG1 3.4Å
441	R	90.1	Very high	93.7	Very high	202 Å²	202	58.6 Å²	58.6	76%	0.762	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	70.9	7.8	-179.1	-46.1	177.7	-66.5	-169.5	1.6	114.7	E439	E439-R441 PolarHBondContact O-N 2.85Å; E439-R441 VanDerWaalsContact O-N 3.08Å
442	G	94.3	Very high	93.6	Very high	2 Å²	2	60.1 Å²	60.1	2%	0.021	29%	0.291	C	S	.	.			trans	-62.4	159.3	169.4	0	0	0	0	0	111.5	L438 E439 D440 L465	L438-G442 PolarHBondContact N-O 2.74Å; E439-G442 PolarHBondContact O-N 3.49Å; D440-G442 PolarHBondContact O-N 3.2Å; G442-L465 VanDerWaalsContact CA-O 3.22Å; G442-L465 WeakPolarHBondContact CA-O 3.37Å
443	W	96.7	Very high	93.6	Very high	71 Å²	71	59.4 Å²	59.4	27%	0.269	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	157.4	174.3	59.9	-85.6	0	0	0	110.6	H435 M436 R445 D463 G464 L465	H435-W443 AromaticContact CD2-CE3 3.95Å; H435-W443 AromaticContact NE2-CD2 3.96Å; H435-W443 AromaticContact NE2-CE3 3.66Å; M436-W443 CarbonylContact O-C 3.34Å; M436-W443 VanDerWaalsContact O-CA 3.24Å; M436-W443 WeakPolarHBondContact O-CA 3.36Å; M436-W443 WeakPolarHBondContact O-CB 3.4Å; W443-R445 HydrophobicContact CE3-CB 4.09Å; W443-R445 HydrophobicContact CZ3-CB 3.73Å; W443-D463 WeakPolarHBondContact CZ3-O 3.29Å; W443-G464 CarbonylContact O-C 3.54Å; W443-G464 WeakPolarHBondContact O-CA 3.22Å; W443-L465 PolarHBondContact N-O 3.46Å; W443-L465 VanDerWaalsContact N-O 3.12Å; W443-L465 PolarHBondContact O-N 3.28Å
444	V	97	Very high	93.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.3	172.1	57.9	0	0	0	0	109.6	Y434 M436 L438 D463 I474 F587	Y434-V444 HydrophobicContact CE2-CG1 4.33Å; M436-V444 HydrophobicContact CB-CG1 4.01Å; M436-V444 PolarHBondContact N-O 3.1Å; M436-V444 PolarHBondContact O-N 2.93Å; L438-V444 HydrophobicContact CD2-CG1 4.36Å; V444-D463 CarbonylContact C-O 3.53Å; V444-D463 WeakPolarHBondContact CA-O 3.23Å; V444-I474 HydrophobicContact CB-CG2 4.16Å; V444-I474 HydrophobicContact CG1-CG2 4.12Å; V444-I474 HydrophobicContact CG2-CG2 4.24Å; V444-F587 HydrophobicContact CB-CZ 4.42Å; V444-F587 HydrophobicContact CG2-CZ 4.01Å
445	R	96.9	Very high	93.6	Very high	97 Å²	97	57.9 Å²	57.9	37%	0.366	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.5	177.2	178.3	178.4	63.1	176.8	1.2	110.2	Y434 H435 W443 L462 D463	Y434-R445 CarbonylContact O-C 3.58Å; Y434-R445 VanDerWaalsContact O-CA 3.32Å; Y434-R445 WeakPolarHBondContact O-CA 3.35Å; H435-R445 HydrophobicContact CB-CG 4.48Å; W443-R445 HydrophobicContact CE3-CB 4.09Å; W443-R445 HydrophobicContact CZ3-CB 3.73Å; R445-L462 WeakPolarHBondContact O-CA 3.49Å; R445-D463 WeakPolarHBondContact CB-OD1 3.31Å; R445-D463 IonicContact CZ-OD1 3.69Å; R445-D463 IonicContact CZ-OD2 3.55Å; R445-D463 PolarHBondContact N-O 3.1Å; R445-D463 IonicContact NE-OD1 3.9Å; R445-D463 PolarHBondContact NE-OD1 3.44Å; R445-D463 IonicContact NE-OD2 2.68Å; R445-D463 IonicContact NH2-OD1 3.93Å; R445-D463 PolarHBondContact NH2-OD1 2.76Å; R445-D463 IonicContact NH2-OD2 3.07Å; R445-D463 PolarHBondContact NH2-OD2 3.34Å; R445-D463 PolarHBondContact O-N 3.03Å; R445-D463 VanDerWaalsContact O-N 3.14Å
446	S	96.8	Very high	93.7	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.6	170	-171.5	0	0	0	0	109.7	L432 Y434 L460 L461	L432-S446 WeakPolarHBondContact O-CB 3.17Å; L432-S446 PolarHBondContact O-OG 3.08Å; Y434-S446 PolarHBondContact N-O 3.09Å; Y434-S446 PolarHBondContact O-N 3.38Å; S446-L460 WeakPolarHBondContact OG-CD1 3.45Å; S446-L461 WeakPolarHBondContact CA-O 3.47Å
447	S	96.2	Very high	93.8	Very high	20 Å²	20	47.8 Å²	47.8	14%	0.14	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.7	177.4	60.7	0	0	0	0	109.5	L460 L461	S447-L460 WeakPolarHBondContact O-CD1 3.38Å; S447-L461 PolarHBondContact N-O 3.32Å; S447-L461 WeakPolarHBondContact O-CA 3.24Å; S447-L461 WeakPolarHBondContact O-CB 3.24Å; S447-L461 PolarHBondContact O-N 3.03Å
448	G	95.4	Very high	93.9	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	151.4	173.6	0	0	0	0	0	112	R372 S459	R372-G448 PolarHBondContact NH2-O 2.75Å; G448-S459 CarbonylContact C-O 3.6Å; G448-S459 VanDerWaalsContact CA-O 3.32Å; G448-S459 WeakPolarHBondContact CA-O 3.39Å
449	C	94.7	Very high	94.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	102.1	-178.7	178.4	0	0	0	0	110.6	E451 C458 S459 L461	C449-E451 VanDerWaalsContact C-N 3.3Å; C449-E451 PolarHBondContact SG-OE2 3.29Å; C449-C458 VanDerWaalsContact C-SG 3.58Å; C449-C458 PolarHBondContact N-SG 2.89Å; C449-C458 WeakPolarHBondContact O-CA 3.17Å; C449-S459 PolarHBondContact N-O 2.91Å; C449-S459 PolarHBondContact O-N 3.47Å; C449-S459 PolarHBondContact O-OG 2.84Å; C449-L461 HydrophobicContact CB-CB 3.95Å
450	P	92.6	Very high	94.8	Very high	24 Å²	24	34.2 Å²	34.2	16%	0.156	16%	0.157	C	C	.	.	S	Bend	trans	-78.7	-11.1	177.3	31.4	-35.4	0	0	0	113.7
451	E	91.4	Very high	95.3	Very high	133 Å²	133	31 Å²	31	62%	0.621	14%	0.14	S	C	*	.	S	Bend	trans	-77.3	-24.2	-173.7	-59.9	74.9	-159.6	0	0	114.2	Y410 C449	Y410-E451 PolarHBondContact OH-O 2.87Å; C449-E451 VanDerWaalsContact C-N 3.3Å; C449-E451 PolarHBondContact SG-OE2 3.29Å
452	D	93.6	Very high	95.7	Very high	33 Å²	33	21.4 Å²	21.4	18%	0.176	10%	0.103	C	C	.	.	S	Bend	trans	-155.7	109	-178.2	-173	3.6	0	0	0	108.6	S459 K496 W555	D452-S459 WeakPolarHBondContact O-CB 3.27Å; D452-S459 PolarHBondContact O-OG 3.3Å; D452-K496 IonicContact OD1-NZ 2.73Å; D452-K496 PolarHBondContact OD1-NZ 3.38Å; D452-K496 VanDerWaalsContact OD2-CD 3.26Å; D452-K496 WeakPolarHBondContact OD2-CD 3.4Å; D452-K496 IonicContact OD2-NZ 2.63Å; D452-K496 PolarHBondContact OD2-NZ 3Å; D452-W555 WeakPolarHBondContact OD1-CZ2 3.38Å
453	A	96	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.			trans	-127.1	157	-177.1	0	0	0	0	0	112.3	Y410 G413 C458	Y410-A453 VanDerWaalsContact CB-O 3.32Å; Y410-A453 WeakPolarHBondContact CB-O 3.33Å; Y410-A453 HydrophobicContact CD1-CB 4.43Å; Y410-A453 WeakPolarHBondContact CD1-O 3.36Å; Y410-A453 HydrophobicContact CD2-CB 3.65Å; Y410-A453 HydrophobicContact CE2-CB 4.12Å; Y410-A453 HydrophobicContact CG-CB 3.82Å; G413-A453 WeakPolarHBondContact CA-O 3.41Å; A453-C458 VanDerWaalsContact CB-C 3.49Å
454	W	95	Very high	95.9	Very high	6 Å²	6	19.3 Å²	19.3	2%	0.023	10%	0.097	C	C	.	.	S	Bend	trans	-83.2	-51.8	176.5	178.6	-107.5	0	0	0	111.7	R411 K412 G413 V494 L552 W555 V557 E593	R411-W454 CarbonylContact C-O 3.6Å; R411-W454 VanDerWaalsContact C-O 3.3Å; R411-W454 WeakPolarHBondContact CA-O 3.41Å; K412-W454 VanDerWaalsContact C-CE3 3.44Å; K412-W454 VanDerWaalsContact C-CZ3 3.42Å; K412-W454 HydrophobicContact CB-CH2 3.95Å; K412-W454 HydrophobicContact CB-CZ2 4.02Å; K412-W454 HydrophobicContact CB-CZ3 4.35Å; K412-W454 HydrophobicContact CG-CH2 4.46Å; K412-W454 HydrophobicContact CG-CZ2 4.09Å; K412-W454 PolarHBondContact N-O 2.98Å; G413-W454 PolarHBondContact N-O 3.33Å; W454-V494 HydrophobicContact CB-CG1 4.47Å; W454-V494 HydrophobicContact CD2-CB 4.5Å; W454-V494 HydrophobicContact CD2-CG1 3.63Å; W454-V494 HydrophobicContact CE3-CG1 3.72Å; W454-V494 HydrophobicContact CG-CG1 3.98Å; W454-V494 HydrophobicContact CZ2-CG1 4.46Å; W454-V494 HydrophobicContact CZ3-CG1 4.19Å; W454-L552 HydrophobicContact CH2-CD2 4.2Å; W454-W555 HydrophobicContact CB-CZ2 4.47Å; W454-W555 HydrophobicContact CE3-CB 4.09Å; W454-W555 AromaticContact CE3-CD1 3.78Å; W454-W555 HydrophobicContact CE3-CD2 4.05Å; W454-W555 AromaticContact CE3-CG 3.72Å; W454-W555 HydrophobicContact CE3-CG 3.72Å; W454-W555 HydrophobicContact CZ3-CB 3.91Å; W454-W555 AromaticContact CZ3-CG 3.96Å; W454-W555 HydrophobicContact CZ3-CG 3.96Å; W454-V557 HydrophobicContact CH2-CG2 4.35Å; W454-E593 HydrophobicContact CG-CB 4.39Å; W454-E593 PolarHBondContact NE1-OE2 2.63Å
455	D	94.1	Very high	95.9	Very high	19 Å²	19	20.8 Å²	20.8	10%	0.102	11%	0.105	C	C	.	.	S	Bend	trans	-140.5	138.5	174.4	-156.8	-67.4	0	0	0	111.2	S400 Y410 R676	S400-D455 WeakPolarHBondContact CB-O 3.49Å; S400-D455 PolarHBondContact OG-O 2.9Å; Y410-D455 WeakPolarHBondContact O-CA 3.25Å; D455-R676 IonicContact OD1-CZ 3.74Å; D455-R676 IonicContact OD1-NH1 2.68Å; D455-R676 PolarHBondContact OD1-NH1 3.09Å; D455-R676 IonicContact OD1-NH2 3.58Å
456	G	95.3	Very high	95.9	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.021	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	86.2	-135.1	-179.3	0	0	0	0	0	111.8	V409 Y410	V409-G456 CarbonylContact C-O 3.52Å; V409-G456 WeakPolarHBondContact CA-O 3.33Å; Y410-G456 WeakPolarHBondContact CD2-O 3.2Å; Y410-G456 PolarHBondContact N-O 3.13Å; Y410-G456 PolarHBondContact O-N 3.29Å
457	G	95.3	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-118.3	-4.6	-167.5	0	0	0	0	0	115.4	C402	C402-G457 PolarHBondContact SG-N 2.93Å
458	C	96.1	Very high	95.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.			trans	-158.1	141.8	-172.4	-165.2	0	0	0	0	110.4	R372 F401 Q403 C449 A453	R372-C458 PolarHBondContact NH2-SG 3.14Å; F401-C458 CarbonylContact C-O 3.3Å; Q403-C458 HydrophobicContact CB-CB 4.44Å; Q403-C458 HydrophobicContact CG-CB 4.32Å; Q403-C458 PolarHBondContact OE1-SG 3.3Å; C449-C458 VanDerWaalsContact C-SG 3.58Å; C449-C458 PolarHBondContact N-SG 2.89Å; C449-C458 WeakPolarHBondContact O-CA 3.17Å; A453-C458 VanDerWaalsContact CB-C 3.49Å
459	S	97.6	Very high	95.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	177.9	162.3	61.4	0	0	0	0	110.7	G448 C449 D452 V591	G448-S459 CarbonylContact C-O 3.6Å; G448-S459 VanDerWaalsContact CA-O 3.32Å; G448-S459 WeakPolarHBondContact CA-O 3.39Å; C449-S459 PolarHBondContact N-O 2.91Å; C449-S459 PolarHBondContact O-N 3.47Å; C449-S459 PolarHBondContact O-OG 2.84Å; D452-S459 WeakPolarHBondContact O-CB 3.27Å; D452-S459 PolarHBondContact O-OG 3.3Å; S459-V591 WeakPolarHBondContact CB-O 3.33Å
460	L	98.3	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.2	170.2	-177.5	65.7	0	0	0	110.8	F401 P431 Y433 S446 S447 L462 I478 R590 V591	F401-L460 HydrophobicContact CB-CB 4.36Å; F401-L460 HydrophobicContact CD1-CB 3.83Å; F401-L460 HydrophobicContact CD1-CD2 4.26Å; F401-L460 HydrophobicContact CD2-CB 3.99Å; F401-L460 HydrophobicContact CE1-CB 4.05Å; F401-L460 HydrophobicContact CE1-CD2 3.86Å; F401-L460 HydrophobicContact CE2-CB 4.25Å; F401-L460 HydrophobicContact CG-CB 3.78Å; F401-L460 HydrophobicContact CZ-CB 4.26Å; F401-L460 HydrophobicContact CZ-CD2 4.3Å; P431-L460 HydrophobicContact CB-CD1 4.18Å; P431-L460 HydrophobicContact CB-CD2 4.04Å; P431-L460 HydrophobicContact CG-CD1 3.58Å; P431-L460 HydrophobicContact CG-CD2 4.25Å; P431-L460 HydrophobicContact CG-CG 4.41Å; Y433-L460 HydrophobicContact CE1-CD1 4.3Å; S446-L460 WeakPolarHBondContact OG-CD1 3.45Å; S447-L460 WeakPolarHBondContact O-CD1 3.38Å; L460-L462 HydrophobicContact CD2-CD2 4.13Å; L460-L462 HydrophobicContact CG-CD2 4.3Å; L460-I478 HydrophobicContact CD2-CD1 3.85Å; L460-I478 HydrophobicContact CD2-CG2 3.6Å; L460-R590 CarbonylContact O-C 3.36Å; L460-R590 VanDerWaalsContact O-CA 3.26Å; L460-R590 WeakPolarHBondContact O-CA 3.23Å; L460-V591 HydrophobicContact CB-CB 4.27Å; L460-V591 PolarHBondContact N-O 3.4Å; L460-V591 PolarHBondContact O-N 2.9Å
461	L	98.2	Very high	95.1	Very high	27 Å²	27	26.1 Å²	26.1	14%	0.141	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.3	169.4	178.7	64.5	0	0	0	110.4	S446 S447 C449 D463 S588 R590	S446-L461 WeakPolarHBondContact CA-O 3.47Å; S447-L461 PolarHBondContact N-O 3.32Å; S447-L461 WeakPolarHBondContact O-CA 3.24Å; S447-L461 WeakPolarHBondContact O-CB 3.24Å; S447-L461 PolarHBondContact O-N 3.03Å; C449-L461 HydrophobicContact CB-CB 3.95Å; L461-D463 HydrophobicContact CD1-CB 4.46Å; L461-D463 HydrophobicContact CG-CB 4.35Å; L461-S588 VanDerWaalsContact CD1-OG 3.23Å; L461-S588 WeakPolarHBondContact CD1-OG 3.2Å; L461-R590 HydrophobicContact CD1-CG 4.11Å
462	L	98.5	Very high	95	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118	165	-56.9	176.8	0	0	0	107.9	R445 L460 A476 I478 V574 I576 S588 C589 V591	R445-L462 WeakPolarHBondContact O-CA 3.49Å; L460-L462 HydrophobicContact CD2-CD2 4.13Å; L460-L462 HydrophobicContact CG-CD2 4.3Å; L462-A476 HydrophobicContact CD1-CB 4Å; L462-A476 HydrophobicContact CD2-CB 4.25Å; L462-I478 HydrophobicContact CD1-CD1 3.87Å; L462-I478 HydrophobicContact CD2-CD1 3.92Å; L462-I478 HydrophobicContact CG-CD1 4.45Å; L462-V574 HydrophobicContact CD1-CB 3.86Å; L462-V574 HydrophobicContact CD1-CG1 3.84Å; L462-V574 HydrophobicContact CD1-CG2 4.38Å; L462-I576 HydrophobicContact CB-CD1 4.14Å; L462-I576 HydrophobicContact CD1-CD1 4.2Å; L462-S588 CarbonylContact O-C 3.51Å; L462-S588 WeakPolarHBondContact O-CA 3.35Å; L462-C589 HydrophobicContact CB-CB 4.38Å; L462-C589 PolarHBondContact N-O 2.67Å; L462-C589 PolarHBondContact O-N 2.92Å; L462-V591 HydrophobicContact CD1-CG2 3.96Å; L462-V591 HydrophobicContact CG-CG2 4.39Å
463	D	98	Very high	95	Very high	25 Å²	25	25.5 Å²	25.5	13%	0.134	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.2	177.7	73.5	-35.5	0	0	0	111.7	W443 V444 R445 L461 F587	W443-D463 WeakPolarHBondContact CZ3-O 3.29Å; V444-D463 CarbonylContact C-O 3.53Å; V444-D463 WeakPolarHBondContact CA-O 3.23Å; R445-D463 WeakPolarHBondContact CB-OD1 3.31Å; R445-D463 IonicContact CZ-OD1 3.69Å; R445-D463 IonicContact CZ-OD2 3.55Å; R445-D463 PolarHBondContact N-O 3.1Å; R445-D463 IonicContact NE-OD1 3.9Å; R445-D463 PolarHBondContact NE-OD1 3.44Å; R445-D463 IonicContact NE-OD2 2.68Å; R445-D463 IonicContact NH2-OD1 3.93Å; R445-D463 PolarHBondContact NH2-OD1 2.76Å; R445-D463 IonicContact NH2-OD2 3.07Å; R445-D463 PolarHBondContact NH2-OD2 3.34Å; R445-D463 PolarHBondContact O-N 3.03Å; R445-D463 VanDerWaalsContact O-N 3.14Å; L461-D463 HydrophobicContact CD1-CB 4.46Å; L461-D463 HydrophobicContact CG-CB 4.35Å; D463-F587 WeakPolarHBondContact CA-O 3.21Å
464	G	97.3	Very high	94.9	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-172.3	-174.4	0	0	0	0	0	115.2	W443 T586 F587	W443-G464 CarbonylContact O-C 3.54Å; W443-G464 WeakPolarHBondContact O-CA 3.22Å; G464-T586 CarbonylContact O-C 3.56Å; G464-T586 VanDerWaalsContact O-CA 3.26Å; G464-T586 WeakPolarHBondContact O-CA 3.24Å; G464-F587 VanDerWaalsContact CA-CE1 3.46Å; G464-F587 PolarHBondContact N-O 3.49Å; G464-F587 WeakPolarHBondContact O-CD1 3.28Å; G464-F587 PolarHBondContact O-N 2.68Å
465	L	97.2	Very high	95	Very high	33 Å²	33	27.7 Å²	27.7	17%	0.173	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.6	174.2	178	67.6	0	0	0	109	G442 W443 D584 T586	G442-L465 VanDerWaalsContact CA-O 3.22Å; G442-L465 WeakPolarHBondContact CA-O 3.37Å; W443-L465 PolarHBondContact N-O 3.46Å; W443-L465 VanDerWaalsContact N-O 3.12Å; W443-L465 PolarHBondContact O-N 3.28Å; L465-D584 HydrophobicContact CD1-CB 4.32Å; L465-T586 HydrophobicContact CD1-CG2 3.93Å
466	I	95.9	Very high	95.1	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.2	169.4	-41.1	-168.5	0	0	0	107.3	L470 I474 I501 I576 R578 D584 M585 F587	I466-L470 HydrophobicContact CG2-CB 4.41Å; I466-L470 HydrophobicContact CG2-CD2 4.15Å; I466-I474 HydrophobicContact CB-CD1 4.38Å; I466-I474 HydrophobicContact CD1-CD1 4.18Å; I466-I474 HydrophobicContact CG1-CD1 3.73Å; I466-I474 HydrophobicContact CG2-CD1 4.39Å; I466-I501 HydrophobicContact CD1-CG2 4.28Å; I466-I576 HydrophobicContact CD1-CG2 4.18Å; I466-R578 HydrophobicContact CD1-CB 4.26Å; I466-R578 HydrophobicContact CG2-CB 4.48Å; I466-D584 WeakPolarHBondContact O-CA 3.42Å; I466-M585 PolarHBondContact N-O 2.99Å; I466-M585 PolarHBondContact O-N 2.92Å; I466-F587 HydrophobicContact CD1-CD1 3.91Å; I466-F587 HydrophobicContact CD1-CE1 4.42Å; I466-F587 HydrophobicContact CD1-CG 4.42Å; I466-F587 HydrophobicContact CG1-CD1 3.45Å; I466-F587 VanDerWaalsContact CG1-CD1 3.45Å; I466-F587 HydrophobicContact CG1-CE1 3.86Å; I466-F587 HydrophobicContact CG1-CG 4.38Å
467	P	95	Very high	95.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.17	C	C	.	.			trans	-72.2	152	179.1	30.2	-32.3	0	0	0	110.5	D440 T469 L470 R578 D584	D440-P467 HydrophobicContact CB-CB 4.06Å; D440-P467 HydrophobicContact CB-CG 4.44Å; P467-T469 PolarHBondContact O-N 2.91Å; P467-T469 VanDerWaalsContact O-N 3.15Å; P467-L470 HydrophobicContact CG-CB 3.78Å; P467-L470 PolarHBondContact O-N 3.17Å; P467-L470 VanDerWaalsContact O-N 3.08Å; P467-R578 PolarHBondContact O-NH1 2.83Å; P467-D584 WeakPolarHBondContact CA-OD1 3.47Å
468	A	93.2	Very high	95.2	Very high	28 Å²	28	29 Å²	29	23%	0.231	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-39.1	179.9	0	0	0	0	0	112.1	L470 R578 P582 D584	A468-L470 VanDerWaalsContact C-N 3.32Å; A468-L470 PolarHBondContact O-N 2.88Å; A468-R578 VanDerWaalsContact CA-NH1 3.3Å; A468-R578 PolarHBondContact O-NH2 3.18Å; A468-P582 WeakPolarHBondContact O-CB 3.43Å; A468-D584 WeakPolarHBondContact CB-OD1 3.48Å; A468-D584 PolarHBondContact N-OD1 3.16Å
469	T	92.6	Very high	95.3	Very high	81 Å²	81	29.2 Å²	29.2	50%	0.497	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21	-176.7	53.4	0	0	0	0	114.1	D440 P467 N471	D440-T469 VanDerWaalsContact OD2-CB 3.24Å; D440-T469 WeakPolarHBondContact OD2-CB 3.45Å; D440-T469 WeakPolarHBondContact OD2-CG2 2.88Å; D440-T469 PolarHBondContact OD2-OG1 3.4Å; P467-T469 PolarHBondContact O-N 2.91Å; P467-T469 VanDerWaalsContact O-N 3.15Å; T469-N471 PolarHBondContact O-N 2.66Å
470	L	90.9	Very high	95.1	Very high	35 Å²	35	29.7 Å²	29.7	18%	0.183	17%	0.174	C	C	.	.			trans	-79.7	109.4	-178.5	-173.6	66.7	0	0	0	110.7	L438 I466 P467 A468 T472 I474 R578	L438-L470 HydrophobicContact CD1-CD2 4.4Å; I466-L470 HydrophobicContact CG2-CB 4.41Å; I466-L470 HydrophobicContact CG2-CD2 4.15Å; P467-L470 HydrophobicContact CG-CB 3.78Å; P467-L470 PolarHBondContact O-N 3.17Å; P467-L470 VanDerWaalsContact O-N 3.08Å; A468-L470 VanDerWaalsContact C-N 3.32Å; A468-L470 PolarHBondContact O-N 2.88Å; L470-T472 WeakPolarHBondContact CD1-OG1 3.03Å; L470-I474 HydrophobicContact CD2-CD1 4.39Å; L470-I474 HydrophobicContact CD2-CG1 3.77Å; L470-R578 PolarHBondContact O-NH2 3.09Å; L470-R578 VanDerWaalsContact O-NH2 3.09Å
471	N	86.6	Confident	94.9	Very high	119 Å²	119	29.8 Å²	29.8	64%	0.636	17%	0.174	S	C	*	.			trans	-99.2	-7.2	-179.8	-65.6	-42.8	0	0	0	113.7	T469	T469-N471 PolarHBondContact O-N 2.66Å
472	T	91.2	Very high	94.7	Very high	92 Å²	92	29.6 Å²	29.6	56%	0.564	17%	0.173	S	C	*	.	S	Bend	trans	-100.2	153.4	177.4	53.5	0	0	0	0	111.1	L470	L470-T472 WeakPolarHBondContact CD1-OG1 3.03Å
473	P	92.6	Very high	94.5	Very high	60 Å²	60	29.6 Å²	29.6	39%	0.39	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-61.4	140.4	174.3	-20.6	32.1	0	0	0	111.9	C475 L575 I576 H577	P473-C475 PolarHBondContact O-N 3.49Å; P473-L575 HydrophobicContact CB-CB 4.29Å; P473-I576 CarbonylContact C-O 3.58Å; P473-I576 WeakPolarHBondContact CA-O 3.46Å; P473-H577 HydrophobicContact CB-CB 4.18Å; P473-H577 HydrophobicContact CG-CB 4.21Å
474	I	94.9	Very high	94.2	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.2	166.2	-64.1	173.9	0	0	0	107.5	L438 V444 I466 L470 L575 I576 F587	L438-I474 HydrophobicContact CD1-CD1 3.67Å; L438-I474 HydrophobicContact CD1-CG1 3.92Å; V444-I474 HydrophobicContact CB-CG2 4.16Å; V444-I474 HydrophobicContact CG1-CG2 4.12Å; V444-I474 HydrophobicContact CG2-CG2 4.24Å; I466-I474 HydrophobicContact CB-CD1 4.38Å; I466-I474 HydrophobicContact CD1-CD1 4.18Å; I466-I474 HydrophobicContact CG1-CD1 3.73Å; I466-I474 HydrophobicContact CG2-CD1 4.39Å; L470-I474 HydrophobicContact CD2-CD1 4.39Å; L470-I474 HydrophobicContact CD2-CG1 3.77Å; I474-L575 CarbonylContact O-C 3.53Å; I474-L575 VanDerWaalsContact O-CA 3.31Å; I474-L575 WeakPolarHBondContact O-CA 3.41Å; I474-I576 HydrophobicContact CB-CB 4.36Å; I474-I576 PolarHBondContact N-O 3.34Å; I474-I576 PolarHBondContact O-N 2.73Å; I474-F587 HydrophobicContact CD1-CE1 3.72Å; I474-F587 HydrophobicContact CD1-CZ 4.21Å
475	C	95.3	Very high	93.9	Very high	45 Å²	45	29.6 Å²	29.6	30%	0.304	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	96	175.4	-172.5	0	0	0	0	109.5	P473 C573 L575	P473-C475 PolarHBondContact O-N 3.49Å; C475-C573 VanDerWaalsContact SG-CB 3.55Å; C475-L575 HydrophobicContact CB-CD2 3.84Å
476	A	96.8	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	112.5	176.1	0	0	0	0	0	109.9	Y434 L462 I478 C573 V574	Y434-A476 WeakPolarHBondContact OH-CA 3.43Å; L462-A476 HydrophobicContact CD1-CB 4Å; L462-A476 HydrophobicContact CD2-CB 4.25Å; A476-I478 HydrophobicContact CB-CD1 4.15Å; A476-I478 WeakPolarHBondContact O-CD1 3.4Å; A476-I478 PolarHBondContact O-N 3.26Å; A476-C573 CarbonylContact O-C 3.59Å; A476-C573 WeakPolarHBondContact O-CA 3.48Å; A476-C573 WeakPolarHBondContact O-CB 3.5Å; A476-V574 PolarHBondContact N-O 2.88Å; A476-V574 PolarHBondContact O-N 2.89Å
477	K	96.1	Very high	92.4	Very high	49 Å²	49	34 Å²	34	21%	0.213	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114.1	178.9	-178.4	-179.3	171.7	173.3	0	109.9	L432 Y434 E571	L432-K477 HydrophobicContact CD1-CD 3.94Å; L432-K477 HydrophobicContact CD1-CG 4Å; Y434-K477 WeakPolarHBondContact CE1-O 3.42Å; Y434-K477 PolarHBondContact OH-N 3.1Å; K477-E571 VanDerWaalsContact CE-OE1 3.31Å; K477-E571 WeakPolarHBondContact CE-OE1 3.16Å; K477-E571 IonicContact NZ-OE1 3.19Å; K477-E571 PolarHBondContact NZ-OE1 2.71Å
478	I	97.5	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-48	-174.3	-48.2	-52.9	0	0	0	111.3	F401 P431 L432 L460 L462 A476 V572 V574 I594	F401-I478 HydrophobicContact CE1-CG2 3.71Å; F401-I478 HydrophobicContact CZ-CG2 4.23Å; P431-I478 CarbonylContact C-O 3.53Å; P431-I478 WeakPolarHBondContact CA-O 3.17Å; P431-I478 HydrophobicContact CB-CG2 3.84Å; L432-I478 PolarHBondContact N-O 3.23Å; L460-I478 HydrophobicContact CD2-CD1 3.85Å; L460-I478 HydrophobicContact CD2-CG2 3.6Å; L462-I478 HydrophobicContact CD1-CD1 3.87Å; L462-I478 HydrophobicContact CD2-CD1 3.92Å; L462-I478 HydrophobicContact CG-CD1 4.45Å; A476-I478 HydrophobicContact CB-CD1 4.15Å; A476-I478 WeakPolarHBondContact O-CD1 3.4Å; A476-I478 PolarHBondContact O-N 3.26Å; I478-V572 WeakPolarHBondContact CA-O 3.43Å; I478-V572 WeakPolarHBondContact CB-O 3.49Å; I478-V572 PolarHBondContact N-O 2.99Å; I478-V574 HydrophobicContact CD1-CB 4.2Å; I478-V574 HydrophobicContact CD1-CG2 4.07Å; I478-V574 HydrophobicContact CG1-CB 4.22Å; I478-V574 HydrophobicContact CG1-CG2 3.71Å; I478-I594 HydrophobicContact CG2-CD1 4.35Å
479	F	96.9	Very high	91.9	Very high	4 Å²	4	38 Å²	38	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.2	-176.9	-62.9	-71.2	0	0	0	112.5	F397 S399 F401 I429 Q430 P431 L481 E571 V572 I594	F397-F479 AromaticContact CE1-CD2 3.96Å; F397-F479 HydrophobicContact CE1-CD2 3.96Å; F397-F479 HydrophobicContact CE1-CE2 4.03Å; F397-F479 HydrophobicContact CZ-CD1 4.16Å; F397-F479 AromaticContact CZ-CD2 3.75Å; F397-F479 HydrophobicContact CZ-CD2 3.75Å; F397-F479 HydrophobicContact CZ-CE1 4.24Å; F397-F479 AromaticContact CZ-CE2 3.84Å; F397-F479 HydrophobicContact CZ-CE2 3.84Å; F397-F479 AromaticContact CZ-CG 3.93Å; F397-F479 HydrophobicContact CZ-CG 3.93Å; F397-F479 HydrophobicContact CZ-CZ 4.09Å; S399-F479 VanDerWaalsContact CB-CZ 3.48Å; F401-F479 AromaticContact CD1-CZ 3.88Å; F401-F479 HydrophobicContact CD1-CZ 3.88Å; F401-F479 HydrophobicContact CE1-CE1 4.36Å; F401-F479 AromaticContact CE1-CE2 3.63Å; F401-F479 HydrophobicContact CE1-CE2 3.63Å; F401-F479 AromaticContact CE1-CZ 3.32Å; F401-F479 HydrophobicContact CE1-CZ 3.32Å; F401-F479 HydrophobicContact CZ-CE2 4.1Å; F401-F479 HydrophobicContact CZ-CZ 4.16Å; I429-F479 HydrophobicContact CG2-CD1 4.12Å; I429-F479 HydrophobicContact CG2-CE1 3.88Å; Q430-F479 WeakPolarHBondContact O-CE1 3.34Å; P431-F479 HydrophobicContact CB-CE1 4.05Å; P431-F479 HydrophobicContact CB-CZ 4.35Å; F479-L481 HydrophobicContact CB-CD1 3.82Å; F479-L481 HydrophobicContact CB-CD2 4.09Å; F479-L481 HydrophobicContact CB-CG 3.74Å; F479-L481 HydrophobicContact CG-CD1 4.43Å; F479-E571 WeakPolarHBondContact O-CA 3.36Å; F479-V572 HydrophobicContact CB-CB 4.23Å; F479-V572 HydrophobicContact CB-CG2 4.5Å; F479-V572 HydrophobicContact CD2-CB 4.16Å; F479-V572 HydrophobicContact CD2-CG1 4.48Å; F479-V572 PolarHBondContact N-O 3.22Å; F479-V572 PolarHBondContact O-N 3.38Å; F479-I594 HydrophobicContact CE2-CD1 4.22Å
480	S	94.3	Very high	91.7	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	108.1	170.2	-166.4	0	0	0	0	107.5	R390 R570	R390-S480 WeakPolarHBondContact CA-O 3.35Å; R390-S480 WeakPolarHBondContact CG-OG 3.42Å; R390-S480 PolarHBondContact NE-OG 3.21Å; S480-R570 CarbonylContact C-O 3.56Å; S480-R570 WeakPolarHBondContact CA-O 3.42Å
481	L	94.1	Very high	91.8	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	173.3	-164.1	-57	172.1	0	0	0	112.4	R390 F397 F479 V483 L569 R570 V572	R390-L481 WeakPolarHBondContact CD-O 3.39Å; F397-L481 HydrophobicContact CD1-CD1 4.08Å; F397-L481 HydrophobicContact CD2-CD1 3.79Å; F397-L481 HydrophobicContact CD2-CD2 4.33Å; F397-L481 HydrophobicContact CE1-CD1 3.82Å; F397-L481 HydrophobicContact CE2-CD1 3.5Å; F397-L481 HydrophobicContact CE2-CD2 3.69Å; F397-L481 HydrophobicContact CE2-CG 4.26Å; F397-L481 HydrophobicContact CG-CD1 4.08Å; F397-L481 HydrophobicContact CZ-CD1 3.53Å; F397-L481 HydrophobicContact CZ-CD2 4.19Å; F397-L481 HydrophobicContact CZ-CG 4.49Å; F479-L481 HydrophobicContact CB-CD1 3.82Å; F479-L481 HydrophobicContact CB-CD2 4.09Å; F479-L481 HydrophobicContact CB-CG 3.74Å; F479-L481 HydrophobicContact CG-CD1 4.43Å; L481-V483 HydrophobicContact CB-CG2 4.21Å; L481-V483 HydrophobicContact CD1-CG2 4.49Å; L481-L569 CarbonylContact C-O 3.51Å; L481-L569 HydrophobicContact CD1-CD2 4.45Å; L481-R570 PolarHBondContact N-O 3.34Å; L481-R570 WeakPolarHBondContact O-CA 3.15Å; L481-V572 HydrophobicContact CD1-CG2 4.04Å
482	H	93.8	Very high	92	Very high	22 Å²	22	27.1 Å²	27.1	10%	0.102	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	85.2	165.7	-175.3	84.9	0	0	0	109.3	K109 P391 A392 S393 V568 R570	K109-H482 HydrophobicContact CB-CB 4.46Å; K109-H482 HydrophobicContact CG-CB 4.05Å; P391-H482 PolarHBondContact O-N 3.24Å; A392-H482 VanDerWaalsContact CA-O 3.29Å; A392-H482 WeakPolarHBondContact CA-O 3.12Å; A392-H482 HydrophobicContact CB-CB 3.92Å; S393-H482 PolarHBondContact N-O 3.3Å; H482-V568 WeakPolarHBondContact ND1-CG1 3.35Å; H482-R570 PolarHBondContact ND1-NH1 3.28Å; H482-R570 PolarHBondContact ND1-NH2 3.21Å
483	V	94	Very high	92.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.4	179.7	-174.4	0	0	0	0	109.1	S393 L395 F397 L481 L485 V568 L569	S393-V483 WeakPolarHBondContact O-CA 3.22Å; L395-V483 HydrophobicContact CD2-CG1 3.69Å; L395-V483 HydrophobicContact CG-CG1 3.98Å; F397-V483 HydrophobicContact CB-CG2 4.37Å; L481-V483 HydrophobicContact CB-CG2 4.21Å; L481-V483 HydrophobicContact CD1-CG2 4.49Å; V483-L485 HydrophobicContact CG1-CD2 4.19Å; V483-V568 CarbonylContact O-C 3.5Å; V483-V568 WeakPolarHBondContact O-CA 2.99Å; V483-L569 HydrophobicContact CB-CB 4.13Å; V483-L569 PolarHBondContact N-O 3.24Å; V483-L569 VanDerWaalsContact N-O 3.17Å; V483-L569 PolarHBondContact O-N 3.17Å
484	P	92.5	Very high	92.3	Very high	29 Å²	29	20 Å²	20	19%	0.188	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	137.2	172.6	-23.1	35.2	0	0	0	111.3	S393	S393-P484 WeakPolarHBondContact O-CD 3.48Å
485	L	90.5	Very high	92.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	105.8	179.2	-52.9	-178.3	0	0	0	108.4	L395 V483 I489 T509 L564 G566 C567 L569 V596	L395-L485 HydrophobicContact CD1-CD2 4.04Å; L395-L485 HydrophobicContact CD2-CD2 4.08Å; L395-L485 HydrophobicContact CG-CD2 4.3Å; V483-L485 HydrophobicContact CG1-CD2 4.19Å; L485-I489 HydrophobicContact CD1-CD1 4.27Å; L485-I489 HydrophobicContact CD2-CG2 4.23Å; L485-T509 HydrophobicContact CD1-CG2 4.19Å; L485-L564 HydrophobicContact CB-CB 4.35Å; L485-L564 HydrophobicContact CD1-CB 4.31Å; L485-L564 HydrophobicContact CD1-CD1 3.65Å; L485-G566 PolarHBondContact O-N 2.96Å; L485-C567 PolarHBondContact N-O 3.36Å; L485-C567 PolarHBondContact O-N 3.32Å; L485-L569 HydrophobicContact CD1-CB 3.97Å; L485-L569 HydrophobicContact CD2-CB 4.35Å; L485-L569 HydrophobicContact CG-CB 4.17Å; L485-V596 HydrophobicContact CD2-CG1 4.49Å
486	D	80.1	Confident	92.5	Very high	107 Å²	107	20.1 Å²	20.1	57%	0.572	10%	0.097	S	C	*	.			trans	-116.2	5.8	-175.8	-68	-40.5	0	0	0	113.1	H565	D486-H565 PolarHBondContact O-ND1 3.13Å
487	S	80.8	Confident	92.4	Very high	23 Å²	23	22.1 Å²	22.1	16%	0.161	11%	0.114	C	C	.	.	S	Bend	trans	-149.7	179.5	-167.3	63.6	0	0	0	0	112.9	I489 L564 D598	S487-I489 PolarHBondContact O-N 3.25Å; S487-L564 PolarHBondContact N-O 2.69Å; S487-D598 PolarHBondContact OG-OD1 3.17Å; S487-D598 PolarHBondContact OG-OD2 2.81Å
488	R	88.1	Confident	92.4	Very high	113 Å²	113	21.8 Å²	21.8	43%	0.426	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.6	169.8	-173.1	-176.3	-63.9	169.3	0.5	108.9	L562 E563 V599	R488-L562 CarbonylContact C-O 3.43Å; R488-L562 WeakPolarHBondContact CA-O 3.39Å; R488-E563 HydrophobicContact CB-CG 4.15Å; R488-E563 HydrophobicContact CG-CG 3.92Å; R488-E563 IonicContact CZ-OE1 3.52Å; R488-E563 IonicContact NE-OE1 3.84Å; R488-E563 PolarHBondContact NE-OE1 3.22Å; R488-E563 IonicContact NH2-OE1 3.43Å; R488-E563 PolarHBondContact NH2-OE1 2.76Å; R488-V599 HydrophobicContact CB-CB 4.41Å; R488-V599 HydrophobicContact CG-CB 4.34Å; R488-V599 HydrophobicContact CG-CG2 4.03Å; R488-V599 WeakPolarHBondContact O-CB 3.41Å; R488-V599 WeakPolarHBondContact O-CG2 3.43Å; R488-V599 PolarHBondContact O-N 3.47Å
489	I	90.6	Very high	92.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.7	179	65.2	167.9	0	0	0	111.7	L395 L485 S487 V491 L507 Q561 L562 L564 V596 L597	L395-I489 HydrophobicContact CD1-CG2 3.85Å; L485-I489 HydrophobicContact CD1-CD1 4.27Å; L485-I489 HydrophobicContact CD2-CG2 4.23Å; S487-I489 PolarHBondContact O-N 3.25Å; I489-V491 HydrophobicContact CD1-CG2 3.7Å; I489-V491 HydrophobicContact CG1-CG2 4.16Å; I489-L507 HydrophobicContact CD1-CD1 3.92Å; I489-Q561 WeakPolarHBondContact O-CA 3.37Å; I489-L562 HydrophobicContact CD1-CB 4.25Å; I489-L562 HydrophobicContact CD1-CD1 4.47Å; I489-L562 HydrophobicContact CG1-CB 3.81Å; I489-L562 PolarHBondContact N-O 2.78Å; I489-L562 PolarHBondContact O-N 2.7Å; I489-L564 HydrophobicContact CD1-CD1 3.75Å; I489-L564 HydrophobicContact CG1-CD1 4.47Å; I489-V596 HydrophobicContact CB-CG1 4.36Å; I489-V596 HydrophobicContact CD1-CG1 3.91Å; I489-L597 CarbonylContact C-O 3.58Å; I489-L597 WeakPolarHBondContact CA-O 3.31Å; I489-L597 WeakPolarHBondContact CB-O 3.43Å
490	M	88.8	Confident	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	164.4	-172.3	70.5	83.4	0	0	108.4	L539 C559 S560 Q561 V596 L597 V599 L602	M490-L539 HydrophobicContact CE-CD1 3.78Å; M490-L539 HydrophobicContact SD-CD1 3.6Å; M490-L539 VanDerWaalsContact SD-CD1 3.6Å; M490-C559 PolarHBondContact SD-SG 3.27Å; M490-S560 VanDerWaalsContact SD-O 3.39Å; M490-Q561 HydrophobicContact CE-CG 3.57Å; M490-Q561 HydrophobicContact SD-CG 3.41Å; M490-Q561 WeakPolarHBondContact SD-CG 3.31Å; M490-V596 CarbonylContact O-C 3.54Å; M490-V596 WeakPolarHBondContact O-CA 3.19Å; M490-L597 HydrophobicContact CB-CB 4.33Å; M490-L597 PolarHBondContact N-O 3.4Å; M490-L597 PolarHBondContact O-N 3.42Å; M490-V599 HydrophobicContact CB-CG2 3.98Å; M490-L602 HydrophobicContact CB-CD1 4.44Å
491	V	91.7	Very high	92.2	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.2	179.2	-175.7	0	0	0	0	108.8	I489 L505 L507 P530 C559 S560 L562 M595 V596	I489-V491 HydrophobicContact CD1-CG2 3.7Å; I489-V491 HydrophobicContact CG1-CG2 4.16Å; V491-L505 HydrophobicContact CG1-CD2 3.26Å; V491-L507 HydrophobicContact CG2-CD1 3.91Å; V491-P530 HydrophobicContact CB-CG 4.46Å; V491-P530 HydrophobicContact CG1-CG 4.27Å; V491-C559 WeakPolarHBondContact O-CA 3.47Å; V491-S560 PolarHBondContact N-O 2.79Å; V491-S560 PolarHBondContact O-N 3.16Å; V491-L562 HydrophobicContact CG2-CD1 4.33Å; V491-M595 CarbonylContact C-O 3.53Å; V491-M595 WeakPolarHBondContact CA-O 3.25Å; V491-V596 HydrophobicContact CG2-CG1 4.48Å
492	T	92	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.8	178.5	-54.1	0	0	0	0	110.1	V494 L546 V557 Q558 C559 I594 M595	T492-V494 HydrophobicContact CG2-CG2 4.2Å; T492-L546 HydrophobicContact CG2-CD1 3.8Å; T492-V557 HydrophobicContact CG2-CG1 4.03Å; T492-Q558 CarbonylContact C-O 3.48Å; T492-Q558 WeakPolarHBondContact CA-O 3.32Å; T492-C559 PolarHBondContact OG1-SG 3.37Å; T492-C559 VanDerWaalsContact OG1-SG 3.4Å; T492-I594 WeakPolarHBondContact O-CA 3.32Å; T492-M595 PolarHBondContact N-O 2.82Å; T492-M595 PolarHBondContact O-N 3.05Å
493	L	94.8	Very high	92.4	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.2	172.4	174.5	64.9	0	0	0	108.9	Y495 V503 L505 Q558 V574 V591 I594	L493-Y495 HydrophobicContact CD2-CD1 4.07Å; L493-Y495 HydrophobicContact CD2-CE1 4.47Å; L493-Y495 HydrophobicContact CG-CD1 3.95Å; L493-V503 HydrophobicContact CD2-CG1 4.18Å; L493-L505 HydrophobicContact CD1-CD1 4.17Å; L493-L505 HydrophobicContact CD2-CB 4.38Å; L493-L505 HydrophobicContact CD2-CD1 4.39Å; L493-Q558 HydrophobicContact CB-CB 4.42Å; L493-Q558 PolarHBondContact N-O 3.03Å; L493-Q558 PolarHBondContact O-N 3.16Å; L493-V574 HydrophobicContact CD1-CG2 4.36Å; L493-V591 HydrophobicContact CD1-CG1 3.53Å; L493-I594 HydrophobicContact CD1-CD1 4.3Å; L493-I594 HydrophobicContact CD1-CG1 3.85Å
494	V	95.5	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.1	173.6	-173.5	0	0	0	0	109	W454 T492 W555 T556 V557 V591 G592 E593	W454-V494 HydrophobicContact CB-CG1 4.47Å; W454-V494 HydrophobicContact CD2-CB 4.5Å; W454-V494 HydrophobicContact CD2-CG1 3.63Å; W454-V494 HydrophobicContact CE3-CG1 3.72Å; W454-V494 HydrophobicContact CG-CG1 3.98Å; W454-V494 HydrophobicContact CZ2-CG1 4.46Å; W454-V494 HydrophobicContact CZ3-CG1 4.19Å; T492-V494 HydrophobicContact CG2-CG2 4.2Å; V494-W555 HydrophobicContact CG1-CB 4.21Å; V494-W555 HydrophobicContact CG1-CD2 4.3Å; V494-W555 HydrophobicContact CG1-CE3 3.84Å; V494-W555 HydrophobicContact CG1-CG 4.49Å; V494-T556 CarbonylContact C-O 3.47Å; V494-T556 WeakPolarHBondContact CA-O 3.4Å; V494-V557 HydrophobicContact CG1-CG2 4.2Å; V494-V557 HydrophobicContact CG2-CG1 4.28Å; V494-V557 HydrophobicContact CG2-CG2 4.13Å; V494-V591 CarbonylContact O-C 3.31Å; V494-G592 PolarHBondContact O-N 2.82Å; V494-E593 HydrophobicContact CB-CB 4.06Å; V494-E593 HydrophobicContact CG2-CB 3.99Å; V494-E593 PolarHBondContact N-O 3.08Å; V494-E593 PolarHBondContact O-N 2.73Å
495	Y	96.9	Very high	92.5	Very high	23 Å²	23	30.1 Å²	30.1	9%	0.09	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	163.4	-176.4	74	-81.7	0	0	0	114.8	L493 A497 V503 W555 T556 Q558 R590	L493-Y495 HydrophobicContact CD2-CD1 4.07Å; L493-Y495 HydrophobicContact CD2-CE1 4.47Å; L493-Y495 HydrophobicContact CG-CD1 3.95Å; Y495-A497 HydrophobicContact CD2-CB 3.87Å; Y495-A497 HydrophobicContact CE2-CB 3.74Å; Y495-V503 HydrophobicContact CD2-CB 3.92Å; Y495-V503 HydrophobicContact CD2-CG1 4.15Å; Y495-V503 HydrophobicContact CD2-CG2 4.02Å; Y495-V503 HydrophobicContact CE1-CB 4.4Å; Y495-V503 HydrophobicContact CE2-CB 3.6Å; Y495-V503 HydrophobicContact CE2-CG1 4.29Å; Y495-V503 HydrophobicContact CE2-CG2 3.82Å; Y495-V503 HydrophobicContact CG-CB 4.47Å; Y495-V503 HydrophobicContact CG-CG1 4.28Å; Y495-W555 VanDerWaalsContact C-CE3 3.48Å; Y495-W555 CarbonylContact O-C 3.57Å; Y495-T556 HydrophobicContact CD1-CG2 4.46Å; Y495-T556 HydrophobicContact CE1-CG2 3.68Å; Y495-T556 PolarHBondContact N-O 3.5Å; Y495-T556 PolarHBondContact O-N 3.47Å; Y495-Q558 HydrophobicContact CE1-CG 3.94Å; Y495-Q558 PolarHBondContact OH-NE2 3.36Å; Y495-R590 CarbonylContact C-O 3.59Å; Y495-R590 WeakPolarHBondContact CA-O 3.26Å; Y495-R590 VanDerWaalsContact CB-O 3.26Å; Y495-R590 WeakPolarHBondContact CB-O 3.19Å
496	K	96.3	Very high	92.7	Very high	31 Å²	31	31.3 Å²	31.3	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111.8	171.1	-89.1	173.3	173.3	172.1	0	108.6	D452 H553 G554 W555 C589 R590	D452-K496 IonicContact OD1-NZ 2.73Å; D452-K496 PolarHBondContact OD1-NZ 3.38Å; D452-K496 VanDerWaalsContact OD2-CD 3.26Å; D452-K496 WeakPolarHBondContact OD2-CD 3.4Å; D452-K496 IonicContact OD2-NZ 2.63Å; D452-K496 PolarHBondContact OD2-NZ 3Å; K496-H553 WeakPolarHBondContact CE-O 3.49Å; K496-H553 PolarHBondContact NZ-O 2.84Å; K496-G554 VanDerWaalsContact CE-C 3.44Å; K496-G554 VanDerWaalsContact CG-O 3.25Å; K496-G554 WeakPolarHBondContact CG-O 3.43Å; K496-W555 HydrophobicContact CB-CE3 4.22Å; K496-W555 HydrophobicContact CB-CZ3 4.32Å; K496-W555 HydrophobicContact CD-CD2 3.7Å; K496-W555 HydrophobicContact CD-CE3 4.1Å; K496-W555 HydrophobicContact CD-CG 4.05Å; K496-W555 HydrophobicContact CD-CH2 4.36Å; K496-W555 HydrophobicContact CD-CZ2 3.99Å; K496-W555 HydrophobicContact CD-CZ3 4.4Å; K496-W555 VanDerWaalsContact CE-NE1 3.35Å; K496-W555 HydrophobicContact CG-CB 4.44Å; K496-W555 HydrophobicContact CG-CD2 3.73Å; K496-W555 HydrophobicContact CG-CE3 3.77Å; K496-W555 HydrophobicContact CG-CG 4.04Å; K496-W555 HydrophobicContact CG-CZ3 4.26Å; K496-W555 VanDerWaalsContact NZ-NE1 3.11Å; K496-C589 CarbonylContact O-C 3.58Å; K496-C589 WeakPolarHBondContact O-CA 3.48Å; K496-R590 HydrophobicContact CB-CB 4.2Å; K496-R590 PolarHBondContact N-O 3.39Å; K496-R590 PolarHBondContact O-N 2.96Å
497	A	96.2	Very high	93.5	Very high	43 Å²	43	26.2 Å²	26.2	36%	0.355	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.7	-178.3	0	0	0	0	0	112.5	Y495 I501 V503 S588	Y495-A497 HydrophobicContact CD2-CB 3.87Å; Y495-A497 HydrophobicContact CE2-CB 3.74Å; A497-I501 HydrophobicContact CB-CD1 3.97Å; A497-I501 HydrophobicContact CB-CG1 3.97Å; A497-V503 HydrophobicContact CB-CG2 3.86Å; A497-S588 CarbonylContact C-O 3.56Å
498	S	95.9	Very high	94.1	Very high	42 Å²	42	28.4 Å²	28.4	29%	0.294	17%	0.168	S	C	.	.			trans	-66	156.6	166.6	58	0	0	0	0	111	I501 S588	S498-I501 WeakPolarHBondContact O-CG1 3.4Å; S498-S588 PolarHBondContact N-O 2.66Å; S498-S588 PolarHBondContact OG-N 2.89Å; S498-S588 PolarHBondContact OG-O 2.74Å
499	A	94.4	Very high	94.3	Very high	98 Å²	98	23.4 Å²	23.4	81%	0.81	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	149.7	175.4	0	0	0	0	0	112
500	G	94.1	Very high	94.3	Very high	21 Å²	21	23.6 Å²	23.6	22%	0.216	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	8.5	175.9	0	0	0	0	0	115.3	E579	G500-E579 PolarHBondContact O-N 2.88Å
501	I	96.1	Very high	94	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.062	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.7	171.9	74.1	-171.4	0	0	0	111.4	I466 A497 S498 V503 I576 H577 M585 F587 C589	I466-I501 HydrophobicContact CD1-CG2 4.28Å; A497-I501 HydrophobicContact CB-CD1 3.97Å; A497-I501 HydrophobicContact CB-CG1 3.97Å; S498-I501 WeakPolarHBondContact O-CG1 3.4Å; I501-V503 HydrophobicContact CD1-CG2 4.26Å; I501-V503 HydrophobicContact CG1-CG2 4.25Å; I501-I576 HydrophobicContact CB-CG2 4.17Å; I501-I576 HydrophobicContact CD1-CG2 4.01Å; I501-I576 HydrophobicContact CG1-CG2 4.49Å; I501-I576 HydrophobicContact CG2-CG2 4.3Å; I501-H577 CarbonylContact C-O 3.5Å; I501-H577 WeakPolarHBondContact CA-O 3.36Å; I501-M585 HydrophobicContact CG2-SD 3.95Å; I501-F587 HydrophobicContact CD1-CB 3.97Å; I501-F587 HydrophobicContact CD1-CD2 4.25Å; I501-F587 HydrophobicContact CD1-CG 4.49Å; I501-F587 HydrophobicContact CG2-CB 3.85Å; I501-C589 HydrophobicContact CD1-CB 4.45Å
502	T	94.9	Very high	93.3	Very high	59 Å²	59	29.6 Å²	29.6	36%	0.362	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	147.7	161.3	51.6	0	0	0	0	110.2	H577 E579	T502-H577 PolarHBondContact N-O 3.49Å; T502-H577 PolarHBondContact O-N 3.42Å; T502-H577 WeakPolarHBondContact OG1-CB 3.45Å; T502-H577 PolarHBondContact OG1-O 3.03Å; T502-E579 HydrophobicContact CG2-CG 3.83Å; T502-E579 WeakPolarHBondContact CG2-OE1 3.42Å
503	V	95.8	Very high	92.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.1	179.5	-175.6	0	0	0	0	108.8	L493 Y495 A497 I501 Q558 V574 L575 C589	L493-V503 HydrophobicContact CD2-CG1 4.18Å; Y495-V503 HydrophobicContact CD2-CB 3.92Å; Y495-V503 HydrophobicContact CD2-CG1 4.15Å; Y495-V503 HydrophobicContact CD2-CG2 4.02Å; Y495-V503 HydrophobicContact CE1-CB 4.4Å; Y495-V503 HydrophobicContact CE2-CB 3.6Å; Y495-V503 HydrophobicContact CE2-CG1 4.29Å; Y495-V503 HydrophobicContact CE2-CG2 3.82Å; Y495-V503 HydrophobicContact CG-CB 4.47Å; Y495-V503 HydrophobicContact CG-CG1 4.28Å; A497-V503 HydrophobicContact CB-CG2 3.86Å; I501-V503 HydrophobicContact CD1-CG2 4.26Å; I501-V503 HydrophobicContact CG1-CG2 4.25Å; V503-Q558 PolarHBondContact O-NE2 3.06Å; V503-Q558 VanDerWaalsContact O-NE2 3.11Å; V503-Q558 PolarHBondContact O-OE1 2.98Å; V503-V574 HydrophobicContact CG1-CG1 3.5Å; V503-V574 VanDerWaalsContact CG1-CG1 3.5Å; V503-L575 WeakPolarHBondContact CA-O 3.47Å; V503-C589 HydrophobicContact CG2-CB 4.43Å
504	S	94.3	Very high	90.7	Very high	39 Å²	39	39 Å²	39	27%	0.273	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.5	174	56.3	0	0	0	0	110.5	L575	S504-L575 PolarHBondContact N-O 3.22Å; S504-L575 VanDerWaalsContact N-O 3.08Å; S504-L575 PolarHBondContact O-N 3.19Å
505	L	94.9	Very high	88.8	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.5	175.7	-156.3	79.9	0	0	0	110.8	V491 L493 L507 P530 V572 C573 V574 I594	V491-L505 HydrophobicContact CG1-CD2 3.26Å; L493-L505 HydrophobicContact CD1-CD1 4.17Å; L493-L505 HydrophobicContact CD2-CB 4.38Å; L493-L505 HydrophobicContact CD2-CD1 4.39Å; L505-L507 HydrophobicContact CD2-CD2 3.62Å; L505-L507 HydrophobicContact CD2-CG 4.35Å; L505-L507 HydrophobicContact CG-CD2 4.38Å; L505-P530 HydrophobicContact CB-CG 4.38Å; L505-P530 WeakPolarHBondContact O-CD 3.32Å; L505-V572 HydrophobicContact CD1-CG1 3.81Å; L505-V572 HydrophobicContact CD2-CG1 4.18Å; L505-V572 HydrophobicContact CG-CG1 4.21Å; L505-C573 CarbonylContact C-O 3.58Å; L505-C573 WeakPolarHBondContact CA-O 3.48Å; L505-C573 WeakPolarHBondContact CD1-O 3.34Å; L505-V574 HydrophobicContact CD1-CG2 4.03Å; L505-I594 HydrophobicContact CD1-CD1 3.98Å; L505-I594 HydrophobicContact CD1-CG1 4.49Å
506	Q	95.4	Very high	86.6	Confident	25 Å²	25	43.7 Å²	43.7	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.5	164.7	176.5	177.4	98.1	0	0	109.2	S527 C573 L575	Q506-S527 PolarHBondContact OE1-OG 2.9Å; Q506-C573 HydrophobicContact CB-CB 4.27Å; Q506-C573 PolarHBondContact N-O 2.9Å; Q506-C573 PolarHBondContact O-N 3.3Å; Q506-L575 HydrophobicContact CB-CD1 3.95Å; Q506-L575 HydrophobicContact CB-CD2 3.99Å; Q506-L575 HydrophobicContact CB-CG 3.86Å
507	L	95.4	Very high	84.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.5	171.9	-57.9	-174.1	0	0	0	108.9	I489 V491 L505 V528 L562 L569 V572	I489-L507 HydrophobicContact CD1-CD1 3.92Å; V491-L507 HydrophobicContact CG2-CD1 3.91Å; L505-L507 HydrophobicContact CD2-CD2 3.62Å; L505-L507 HydrophobicContact CD2-CG 4.35Å; L505-L507 HydrophobicContact CG-CD2 4.38Å; L507-V528 PolarHBondContact N-O 3.05Å; L507-V528 PolarHBondContact O-N 2.7Å; L507-L562 HydrophobicContact CD1-CD1 4.11Å; L507-L569 HydrophobicContact CB-CD1 3.87Å; L507-L569 HydrophobicContact CD2-CD1 3.95Å; L507-L569 HydrophobicContact CG-CD1 4.32Å; L507-V572 HydrophobicContact CD2-CG1 4.26Å; L507-V572 HydrophobicContact CD2-CG2 4.07Å
508	R	94.8	Very high	81.8	Confident	70 Å²	70	52.3 Å²	52.3	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.8	171.2	-70.3	173.8	177	-173.4	-0.4	109.5	L525 T526 R570 E571	R508-L525 HydrophobicContact CB-CB 4.25Å; R508-L525 HydrophobicContact CB-CD1 4.14Å; R508-T526 WeakPolarHBondContact CA-O 3.44Å; R508-R570 PolarHBondContact O-N 2.8Å; R508-E571 HydrophobicContact CB-CB 3.97Å; R508-E571 HydrophobicContact CB-CG 4.27Å; R508-E571 WeakPolarHBondContact CD-OE2 3.43Å; R508-E571 IonicContact CZ-OE2 3.22Å; R508-E571 PolarHBondContact N-O 3.41Å; R508-E571 IonicContact NE-OE2 3.52Å; R508-E571 IonicContact NH1-OE2 2.73Å; R508-E571 PolarHBondContact NH1-OE2 3.05Å; R508-E571 PolarHBondContact O-N 2.86Å
509	T	92.6	Very high	79.2	Confident	8 Å²	8	56.7 Å²	56.7	5%	0.049	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	164	-174.9	63.8	0	0	0	0	110.9	L485 L525 T526 L564 V568	L485-T509 HydrophobicContact CD1-CG2 4.19Å; T509-L525 CarbonylContact O-C 3.51Å; T509-L525 WeakPolarHBondContact O-CA 3.43Å; T509-T526 PolarHBondContact N-O 2.9Å; T509-T526 PolarHBondContact O-N 2.78Å; T509-T526 PolarHBondContact OG1-O 2.91Å; T509-L564 HydrophobicContact CG2-CD1 4.27Å; T509-V568 CarbonylContact C-O 3.58Å; T509-V568 VanDerWaalsContact CA-O 3.24Å; T509-V568 WeakPolarHBondContact CA-O 3.48Å
510	T	90.3	Very high	76.9	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.9	168.7	-166.8	0	0	0	0	110.2	S512 V523 T524 C567 V568 R570	T510-S512 PolarHBondContact O-N 2.85Å; T510-V523 HydrophobicContact CG2-CG1 4.42Å; T510-V523 WeakPolarHBondContact OG1-CG1 3.2Å; T510-T524 PolarHBondContact OG1-O 3.19Å; T510-C567 CarbonylContact O-C 3.59Å; T510-C567 VanDerWaalsContact O-CA 3.24Å; T510-C567 WeakPolarHBondContact O-CA 3.43Å; T510-C567 WeakPolarHBondContact O-CB 3.32Å; T510-V568 HydrophobicContact CG2-CB 4.38Å; T510-V568 PolarHBondContact N-O 2.95Å; T510-V568 PolarHBondContact O-N 2.86Å; T510-R570 HydrophobicContact CG2-CG 3.77Å
511	D	83.1	Confident	74.5	Confident	76 Å²	76	63.4 Å²	63.4	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.9	178.3	-167.8	-53.2	0	0	0	110.4	S513 Y514	D511-S513 VanDerWaalsContact CG-OG 3.23Å; D511-S513 PolarHBondContact O-N 2.81Å; D511-S513 VanDerWaalsContact OD1-CB 3.28Å; D511-S513 WeakPolarHBondContact OD1-CB 3.36Å; D511-S513 PolarHBondContact OD1-N 2.83Å; D511-S513 PolarHBondContact OD1-OG 2.89Å; D511-Y514 HydrophobicContact CB-CD2 3.61Å; D511-Y514 HydrophobicContact CB-CE2 3.81Å; D511-Y514 PolarHBondContact O-N 2.89Å
512	S	76.6	Confident	72.4	Confident	55 Å²	55	71.9 Å²	71.9	39%	0.385	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-60.7	-29.7	179.8	59.7	0	0	0	0	112.8	T510 Y514 C515 G566	T510-S512 PolarHBondContact O-N 2.85Å; S512-Y514 VanDerWaalsContact C-N 3.34Å; S512-Y514 PolarHBondContact O-N 2.97Å; S512-C515 VanDerWaalsContact O-CB 3.32Å; S512-C515 WeakPolarHBondContact O-CB 3.44Å; S512-C515 PolarHBondContact O-N 2.81Å; S512-C515 VanDerWaalsContact O-N 3.09Å; S512-G566 WeakPolarHBondContact CB-O 3.3Å; S512-G566 PolarHBondContact N-O 3.49Å; S512-G566 PolarHBondContact OG-O 3.4Å
513	S	69.3	Low	70.8	Confident	62 Å²	62	71.8 Å²	71.8	43%	0.434	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-61.9	-38.7	179.1	60.1	0	0	0	0	112.8	D511 C515 S516	D511-S513 VanDerWaalsContact CG-OG 3.23Å; D511-S513 PolarHBondContact O-N 2.81Å; D511-S513 VanDerWaalsContact OD1-CB 3.28Å; D511-S513 WeakPolarHBondContact OD1-CB 3.36Å; D511-S513 PolarHBondContact OD1-N 2.83Å; D511-S513 PolarHBondContact OD1-OG 2.89Å; S513-C515 PolarHBondContact O-N 2.97Å; S513-S516 PolarHBondContact O-N 3.25Å; S513-S516 PolarHBondContact O-OG 2.81Å
514	Y	61.4	Low	69.8	Low	140 Å²	140	77.4 Å²	77.4	55%	0.549	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-72.9	-14.3	177.1	-60.6	-59	0	0	0	113.4	D511 S512 S516 V523	D511-Y514 HydrophobicContact CB-CD2 3.61Å; D511-Y514 HydrophobicContact CB-CE2 3.81Å; D511-Y514 PolarHBondContact O-N 2.89Å; S512-Y514 VanDerWaalsContact C-N 3.34Å; S512-Y514 PolarHBondContact O-N 2.97Å; Y514-S516 PolarHBondContact O-N 3.2Å; Y514-V523 HydrophobicContact CD2-CG1 4.44Å; Y514-V523 HydrophobicContact CG-CG1 4.39Å
515	C	56.3	Low	69.3	Low	32 Å²	32	78.3 Å²	78.3	22%	0.216	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-77.9	-5.2	179.5	-62.3	0	0	0	0	113.7	S512 S513 R570	S512-C515 VanDerWaalsContact O-CB 3.32Å; S512-C515 WeakPolarHBondContact O-CB 3.44Å; S512-C515 PolarHBondContact O-N 2.81Å; S512-C515 VanDerWaalsContact O-N 3.09Å; S513-C515 PolarHBondContact O-N 2.97Å; C515-R570 PolarHBondContact SG-NH2 2.8Å
516	S	51.7	Low	68.9	Low	89 Å²	89	82 Å²	82	62%	0.622	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-84.4	-20.6	176.7	66.2	0	0	0	0	113.7	S513 Y514	S513-S516 PolarHBondContact O-N 3.25Å; S513-S516 PolarHBondContact O-OG 2.81Å; Y514-S516 PolarHBondContact O-N 3.2Å
517	H	46.6	Very low	68.5	Low	140 Å²	140	83.8 Å²	83.8	65%	0.648	46%	0.457	S	S	*	.	S	Bend	trans	-87.9	124.8	178.4	-65.4	-66.5	0	0	0	110.3	D519	H517-D519 PolarHBondContact O-N 2.68Å; H517-D519 VanDerWaalsContact O-N 3.14Å
518	T	45	Very low	68.1	Low	114 Å²	114	85.3 Å²	85.3	70%	0.699	47%	0.466	S	S	*	.			trans	-71.9	2.9	-171.5	26.8	0	0	0	0	115.6
519	D	41.3	Very low	67.6	Low	135 Å²	135	85 Å²	85	72%	0.722	47%	0.473	S	S	*	.			trans	-89	116.2	-178.2	-72.7	-34.3	0	0	0	111.4	H517 H521	H517-D519 PolarHBondContact O-N 2.68Å; H517-D519 VanDerWaalsContact O-N 3.14Å; D519-H521 PolarHBondContact O-N 2.97Å
520	V	44.9	Very low	67	Low	94 Å²	94	85.4 Å²	85.4	57%	0.57	48%	0.475	S	S	*	.			trans	-75.4	13.4	-171.2	178.1	0	0	0	0	112.7	P110	P110-V520 HydrophobicContact CB-CG2 4.32Å
521	H	43.4	Very low	66.1	Low	166 Å²	166	92.7 Å²	92.7	77%	0.769	51%	0.509	S	S	*	.	S	Bend	trans	-116.4	124	-175.5	-71	-64.6	0	0	0	113.5	D519	D519-H521 PolarHBondContact O-N 2.97Å
522	E	52.1	Low	65	Low	190 Å²	190	94.4 Å²	94.4	89%	0.888	52%	0.522	S	S	*	.			trans	54.8	59.8	164.4	-66.6	-171.8	155.9	0	0	117.2	T524	E522-T524 PolarHBondContact O-N 2.9Å
523	V	62.2	Low	63.8	Low	56 Å²	56	95.2 Å²	95.2	34%	0.339	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-76.4	122.8	157.5	-163.7	0	0	0	0	108.6	T510 Y514 L525	T510-V523 HydrophobicContact CG2-CG1 4.42Å; T510-V523 WeakPolarHBondContact OG1-CG1 3.2Å; Y514-V523 HydrophobicContact CD2-CG1 4.44Å; Y514-V523 HydrophobicContact CG-CG1 4.39Å; V523-L525 PolarHBondContact O-N 2.81Å
524	T	74.3	Confident	63.1	Low	122 Å²	122	95.1 Å²	95.1	75%	0.748	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-59.3	126.4	174.7	-50.8	0	0	0	0	109.7	T510 E522	T510-T524 PolarHBondContact OG1-O 3.19Å; E522-T524 PolarHBondContact O-N 2.9Å
525	L	83.9	Confident	62.5	Low	58 Å²	58	93 Å²	93	30%	0.304	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-95.5	135.9	176.9	-61.1	-177.9	0	0	0	110.3	R508 T509 V523 R570 E571	R508-L525 HydrophobicContact CB-CB 4.25Å; R508-L525 HydrophobicContact CB-CD1 4.14Å; T509-L525 CarbonylContact O-C 3.51Å; T509-L525 WeakPolarHBondContact O-CA 3.43Å; V523-L525 PolarHBondContact O-N 2.81Å; L525-R570 HydrophobicContact CD2-CB 3.9Å; L525-R570 HydrophobicContact CD2-CG 3.88Å; L525-E571 HydrophobicContact CD1-CG 3.97Å
526	T	85.5	Confident	62.7	Low	86 Å²	86	92.5 Å²	92.5	53%	0.528	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.6	172.1	-55.1	0	0	0	0	109.2	R508 T509	R508-T526 WeakPolarHBondContact CA-O 3.44Å; T509-T526 PolarHBondContact N-O 2.9Å; T509-T526 PolarHBondContact O-N 2.78Å; T509-T526 PolarHBondContact OG1-O 2.91Å
527	S	88.7	Confident	63.2	Low	62 Å²	62	93.4 Å²	93.4	43%	0.434	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.3	176	-63.8	0	0	0	0	110.9	Q506	Q506-S527 PolarHBondContact OE1-OG 2.9Å
528	V	86.9	Confident	64.1	Low	32 Å²	32	91.7 Å²	91.7	19%	0.194	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.8	175.3	-177.3	0	0	0	0	107.7	L507 L562 L564	L507-V528 PolarHBondContact N-O 3.05Å; L507-V528 PolarHBondContact O-N 2.7Å; V528-L562 HydrophobicContact CG1-CD1 3.97Å; V528-L562 HydrophobicContact CG1-CD2 4.04Å; V528-L564 HydrophobicContact CG1-CD2 4.49Å; V528-L564 HydrophobicContact CG2-CD2 4.21Å
529	T	83.8	Confident	65.2	Low	65 Å²	65	87 Å²	87	40%	0.399	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-96.7	119.3	172.2	-58.4	0	0	0	0	107.3	E531	T529-E531 PolarHBondContact O-N 2.63Å; T529-E531 VanDerWaalsContact O-N 3.17Å
530	P	80.1	Confident	66.5	Low	15 Å²	15	86 Å²	86	10%	0.097	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-60.9	117.9	172.9	-13.9	27.3	0	0	0	109.7	V491 L505 S560 L562	V491-P530 HydrophobicContact CB-CG 4.46Å; V491-P530 HydrophobicContact CG1-CG 4.27Å; L505-P530 HydrophobicContact CB-CG 4.38Å; L505-P530 WeakPolarHBondContact O-CD 3.32Å; P530-S560 VanDerWaalsContact CB-CB 3.44Å; P530-L562 HydrophobicContact CB-CD1 3.74Å; P530-L562 HydrophobicContact CB-CG 4.12Å; P530-L562 HydrophobicContact CG-CD1 3.69Å
531	E	70.2	Confident	67.6	Low	157 Å²	157	84.5 Å²	84.5	73%	0.734	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-76.6	144.6	169.6	-68.1	-173.2	176.2	0	0	109.2	T529 V533 S560	T529-E531 PolarHBondContact O-N 2.63Å; T529-E531 VanDerWaalsContact O-N 3.17Å; E531-V533 VanDerWaalsContact C-N 3.31Å; E531-V533 PolarHBondContact O-N 2.86Å; E531-S560 VanDerWaalsContact O-CB 3.27Å; E531-S560 WeakPolarHBondContact O-CB 3.43Å; E531-S560 PolarHBondContact O-OG 3.08Å
532	T	60.3	Low	68.9	Low	112 Å²	112	77.1 Å²	77.1	69%	0.687	46%	0.457	S	S	*	.			trans	-70.6	91.3	173.4	-43	0	0	0	0	108.2
533	V	51.8	Low	69.8	Low	72 Å²	72	70.8 Å²	70.8	44%	0.436	43%	0.428	S	S	.	.			trans	-68.5	138	177.3	-176.8	0	0	0	0	109.1	E531	E531-V533 VanDerWaalsContact C-N 3.31Å; E531-V533 PolarHBondContact O-N 2.86Å
534	G	53.9	Low	70.2	Confident	60 Å²	60	72 Å²	72	62%	0.619	44%	0.439	S	S	*	.			trans	-55.8	160.7	176.5	0	0	0	0	0	113.8	G536	G534-G536 PolarHBondContact O-N 2.89Å
535	S	50	Low	70.2	Confident	95 Å²	95	68.5 Å²	68.5	66%	0.664	41%	0.414	S	S	*	.			trans	-48.7	96.2	-171.9	45.2	0	0	0	0	114.8	E540	S535-E540 VanDerWaalsContact CB-OE1 3.23Å; S535-E540 WeakPolarHBondContact CB-OE1 3.44Å
536	G	60.5	Low	69.5	Low	22 Å²	22	66.1 Å²	66.1	23%	0.227	40%	0.401	C	S	.	.			trans	-92	146.9	160.9	0	0	0	0	0	111	G534 Q538 L539 E540	G534-G536 PolarHBondContact O-N 2.89Å; G536-Q538 VanDerWaalsContact C-N 3.26Å; G536-Q538 PolarHBondContact O-N 3.4Å; G536-L539 WeakPolarHBondContact O-CB 3.45Å; G536-L539 PolarHBondContact O-N 2.83Å; G536-E540 PolarHBondContact O-N 3Å
537	P	62.4	Low	68.5	Low	109 Å²	109	63 Å²	63	71%	0.708	38%	0.383	S	S	*	.	H	α-helix	trans	-60.4	-30.5	-175.4	20	-31	0	0	0	114	S541	P537-S541 WeakPolarHBondContact O-CB 3.3Å; P537-S541 PolarHBondContact O-N 2.96Å
538	Q	64.9	Low	67.2	Low	103 Å²	103	61.6 Å²	61.6	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-69.1	-39.4	173.9	-71.3	176.3	-15.9	0	0	112.4	G536 S541 Q542 V599	G536-Q538 VanDerWaalsContact C-N 3.26Å; G536-Q538 PolarHBondContact O-N 3.4Å; Q538-S541 PolarHBondContact O-N 3.43Å; Q538-Q542 WeakPolarHBondContact O-CB 3.31Å; Q538-Q542 PolarHBondContact O-N 3.17Å; Q538-V599 VanDerWaalsContact OE1-CG1 3.29Å
539	L	67.9	Low	65.6	Low	16 Å²	16	67.7 Å²	67.7	8%	0.084	41%	0.41	C	S	.	.	H	α-helix	trans	-65.7	-42.8	177.2	-170.6	68.9	0	0	0	110.5	M490 G536 Q542 M543 C559	M490-L539 HydrophobicContact CE-CD1 3.78Å; M490-L539 HydrophobicContact SD-CD1 3.6Å; M490-L539 VanDerWaalsContact SD-CD1 3.6Å; G536-L539 WeakPolarHBondContact O-CB 3.45Å; G536-L539 PolarHBondContact O-N 2.83Å; L539-Q542 PolarHBondContact O-N 3.17Å; L539-M543 VanDerWaalsContact O-CB 3.24Å; L539-M543 WeakPolarHBondContact O-CB 3.17Å; L539-M543 WeakPolarHBondContact O-CG 3.24Å; L539-M543 PolarHBondContact O-N 2.8Å; L539-C559 HydrophobicContact CD1-CB 3.56Å; L539-C559 WeakPolarHBondContact CD1-SG 3.18Å
540	E	67.9	Low	64.3	Low	115 Å²	115	76.3 Å²	76.3	54%	0.537	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-42.6	176.4	-68.3	-177.3	162.4	0	0	112.4	S535 G536 M543 S544	S535-E540 VanDerWaalsContact CB-OE1 3.23Å; S535-E540 WeakPolarHBondContact CB-OE1 3.44Å; G536-E540 PolarHBondContact O-N 3Å; E540-M543 PolarHBondContact O-N 3.46Å; E540-S544 WeakPolarHBondContact O-CB 3.34Å; E540-S544 PolarHBondContact O-N 2.85Å
541	S	69.1	Low	63.9	Low	62 Å²	62	80.3 Å²	80.3	43%	0.434	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-49.6	175.5	-166.2	0	0	0	0	111.4	P537 Q538 M543 S544 E545	P537-S541 WeakPolarHBondContact O-CB 3.3Å; P537-S541 PolarHBondContact O-N 2.96Å; Q538-S541 PolarHBondContact O-N 3.43Å; S541-M543 PolarHBondContact O-N 3.48Å; S541-S544 WeakPolarHBondContact O-CB 3.26Å; S541-S544 PolarHBondContact O-N 3.33Å; S541-S544 VanDerWaalsContact O-N 3.16Å; S541-E545 WeakPolarHBondContact O-CG 3.35Å; S541-E545 PolarHBondContact O-N 2.85Å
542	Q	69.8	Low	64.4	Low	10 Å²	10	74.9 Å²	74.9	5%	0.047	43%	0.432	C	S	.	.	H	α-helix	trans	-62.8	-42.4	179	-162.3	83	27.3	0	0	111.6	Q538 L539 S544 E545 L546 G706	Q538-Q542 WeakPolarHBondContact O-CB 3.31Å; Q538-Q542 PolarHBondContact O-N 3.17Å; L539-Q542 PolarHBondContact O-N 3.17Å; Q542-S544 VanDerWaalsContact C-N 3.32Å; Q542-S544 PolarHBondContact O-N 3.21Å; Q542-E545 PolarHBondContact O-N 2.7Å; Q542-L546 HydrophobicContact CG-CD1 3.97Å; Q542-L546 HydrophobicContact CG-CG 4.41Å; Q542-L546 WeakPolarHBondContact O-CB 3.44Å; Q542-L546 WeakPolarHBondContact O-CG 3.37Å; Q542-L546 PolarHBondContact O-N 2.94Å; Q542-G706 PolarHBondContact NE2-O 3.18Å
543	M	70.9	Confident	65.5	Low	57 Å²	57	73 Å²	73	28%	0.281	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-41.2	174.8	-75.8	-71.1	-71.9	0	0	110.9	L539 E540 S541 C547 V557 C559	L539-M543 VanDerWaalsContact O-CB 3.24Å; L539-M543 WeakPolarHBondContact O-CB 3.17Å; L539-M543 WeakPolarHBondContact O-CG 3.24Å; L539-M543 PolarHBondContact O-N 2.8Å; E540-M543 PolarHBondContact O-N 3.46Å; S541-M543 PolarHBondContact O-N 3.48Å; M543-C547 WeakPolarHBondContact O-CB 3.22Å; M543-C547 PolarHBondContact O-N 2.91Å; M543-C547 PolarHBondContact O-SG 2.96Å; M543-V557 HydrophobicContact CE-CB 4.21Å; M543-V557 HydrophobicContact CE-CG1 4.24Å; M543-V557 HydrophobicContact SD-CB 4.28Å; M543-V557 HydrophobicContact SD-CG1 3.65Å; M543-C559 HydrophobicContact CG-CB 4.28Å; M543-C559 HydrophobicContact SD-CB 3.7Å
544	S	71.7	Confident	67.3	Low	83 Å²	83	72.5 Å²	72.5	58%	0.58	42%	0.424	S	S	*	.	H	α-helix	trans	-64	-39.9	174.6	-170.2	0	0	0	0	112.2	E540 S541 Q542 G548	E540-S544 WeakPolarHBondContact O-CB 3.34Å; E540-S544 PolarHBondContact O-N 2.85Å; S541-S544 WeakPolarHBondContact O-CB 3.26Å; S541-S544 PolarHBondContact O-N 3.33Å; S541-S544 VanDerWaalsContact O-N 3.16Å; Q542-S544 VanDerWaalsContact C-N 3.32Å; Q542-S544 PolarHBondContact O-N 3.21Å; S544-G548 PolarHBondContact O-N 3.38Å
545	E	73.2	Confident	69.1	Low	47 Å²	47	69.9 Å²	69.9	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-68.3	-47.3	178.4	-74.9	176.4	-172.5	0	0	112	K412 S541 Q542 S708	K412-E545 PolarHBondContact NZ-O 2.67Å; S541-E545 WeakPolarHBondContact O-CG 3.35Å; S541-E545 PolarHBondContact O-N 2.85Å; Q542-E545 PolarHBondContact O-N 2.7Å; E545-S708 VanDerWaalsContact OE2-CA 3.3Å; E545-S708 WeakPolarHBondContact OE2-CA 3.25Å; E545-S708 PolarHBondContact OE2-OG 3.37Å
546	L	69.8	Low	71.2	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-66.4	-47.1	179	-72.3	169.3	0	0	0	111.7	K412 T492 Q542 M595	K412-L546 WeakPolarHBondContact CD-O 3.47Å; T492-L546 HydrophobicContact CG2-CD1 3.8Å; Q542-L546 HydrophobicContact CG-CD1 3.97Å; Q542-L546 HydrophobicContact CG-CG 4.41Å; Q542-L546 WeakPolarHBondContact O-CB 3.44Å; Q542-L546 WeakPolarHBondContact O-CG 3.37Å; Q542-L546 PolarHBondContact O-N 2.94Å; L546-M595 HydrophobicContact CD2-SD 3.99Å
547	C	63.8	Low	72.6	Confident	21 Å²	21	67.8 Å²	67.8	14%	0.142	37%	0.374	C	S	.	.	H	α-helix	trans	-78.5	-26.5	-174.1	-62.5	0	0	0	0	113.6	M543 L552	M543-C547 WeakPolarHBondContact O-CB 3.22Å; M543-C547 PolarHBondContact O-N 2.91Å; M543-C547 PolarHBondContact O-SG 2.96Å; C547-L552 HydrophobicContact CB-CD2 3.67Å
548	G	61.3	Low	73.9	Confident	33 Å²	33	65 Å²	65	34%	0.34	35%	0.352	S	S	.	.			trans	59	-153	-171	0	0	0	0	0	112.6	S544 R550	S544-G548 PolarHBondContact O-N 3.38Å; G548-R550 PolarHBondContact O-N 2.85Å
549	N	54.6	Low	75	Confident	160 Å²	160	60.4 Å²	60.4	86%	0.856	33%	0.331	S	S	*	.	S	Bend	trans	-58.4	136	171.3	-78.7	-23.1	0	0	0	109.8	D551	N549-D551 PolarHBondContact O-N 3.49Å
550	R	56.9	Low	75.8	Confident	246 Å²	246	60.1 Å²	60.1	93%	0.928	33%	0.33	S	S	*	.	S	Bend	trans	-48.2	-2.6	-162	-68.1	-175.5	173.8	-152.6	-2.6	120	G548 L552	G548-R550 PolarHBondContact O-N 2.85Å; R550-L552 PolarHBondContact O-N 3.11Å
551	D	71.1	Confident	76.8	Confident	99 Å²	99	56.6 Å²	56.6	53%	0.529	31%	0.314	S	S	.	.			trans	-86.7	100.4	176.4	-170.5	4.7	0	0	0	110.9	N549 H553	N549-D551 PolarHBondContact O-N 3.49Å; D551-H553 VanDerWaalsContact C-N 3.27Å; D551-H553 PolarHBondContact O-CD2 2.93Å; D551-H553 VanDerWaalsContact O-CD2 3.22Å; D551-H553 PolarHBondContact O-N 2.65Å; D551-H553 PolarHBondContact O-NE2 3.03Å; D551-H553 IonicContact OD1-CE1 3.91Å; D551-H553 PolarHBondContact OD1-N 3.4Å; D551-H553 IonicContact OD1-ND1 3.63Å; D551-H553 IonicContact OD2-CE1 2.9Å; D551-H553 PolarHBondContact OD2-CE1 3.49Å; D551-H553 IonicContact OD2-ND1 3.4Å; D551-H553 IonicContact OD2-NE2 2.82Å
552	L	80.3	Confident	77.6	Confident	43 Å²	43	54.9 Å²	54.9	23%	0.225	30%	0.299	C	S	.	.			trans	-85	5.3	178.2	-65.4	175.7	0	0	0	113	W454 C547 R550 G554 W555 V557	W454-L552 HydrophobicContact CH2-CD2 4.2Å; C547-L552 HydrophobicContact CB-CD2 3.67Å; R550-L552 PolarHBondContact O-N 3.11Å; L552-G554 PolarHBondContact O-N 3.21Å; L552-G554 VanDerWaalsContact O-N 3.08Å; L552-W555 HydrophobicContact CB-CB 4.42Å; L552-W555 WeakPolarHBondContact CB-O 3.19Å; L552-W555 WeakPolarHBondContact CD1-O 3.4Å; L552-W555 VanDerWaalsContact O-CB 3.24Å; L552-W555 WeakPolarHBondContact O-CB 3.46Å; L552-W555 VanDerWaalsContact O-CD1 3.25Å; L552-W555 PolarHBondContact O-N 3.48Å; L552-V557 HydrophobicContact CD1-CG2 4.42Å; L552-V557 HydrophobicContact CD2-CG2 4.25Å
553	H	83.6	Confident	78.4	Confident	72 Å²	72	59.9 Å²	59.9	33%	0.333	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	33.9	177	-62.3	-73	0	0	0	113.7	Q414 K496 D551 W555	Q414-H553 VanDerWaalsContact CG-CD2 3.45Å; Q414-H553 WeakPolarHBondContact CG-CD2 3.43Å; Q414-H553 WeakPolarHBondContact CG-NE2 2.95Å; Q414-H553 PolarHBondContact NE2-CD2 3.05Å; Q414-H553 PolarHBondContact NE2-NE2 3.2Å; K496-H553 WeakPolarHBondContact CE-O 3.49Å; K496-H553 PolarHBondContact NZ-O 2.84Å; D551-H553 VanDerWaalsContact C-N 3.27Å; D551-H553 PolarHBondContact O-CD2 2.93Å; D551-H553 VanDerWaalsContact O-CD2 3.22Å; D551-H553 PolarHBondContact O-N 2.65Å; D551-H553 PolarHBondContact O-NE2 3.03Å; D551-H553 IonicContact OD1-CE1 3.91Å; D551-H553 PolarHBondContact OD1-N 3.4Å; D551-H553 IonicContact OD1-ND1 3.63Å; D551-H553 IonicContact OD2-CE1 2.9Å; D551-H553 PolarHBondContact OD2-CE1 3.49Å; D551-H553 IonicContact OD2-ND1 3.4Å; D551-H553 IonicContact OD2-NE2 2.82Å; H553-W555 VanDerWaalsContact C-N 3.35Å
554	G	88.9	Confident	79	Confident	61 Å²	61	58.2 Å²	58.2	63%	0.629	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-8	-176.1	0	0	0	0	0	115.3	K496 L552	K496-G554 VanDerWaalsContact CE-C 3.44Å; K496-G554 VanDerWaalsContact CG-O 3.25Å; K496-G554 WeakPolarHBondContact CG-O 3.43Å; L552-G554 PolarHBondContact O-N 3.21Å; L552-G554 VanDerWaalsContact O-N 3.08Å
555	W	93.4	Very high	79.6	Confident	6 Å²	6	60.2 Å²	60.2	2%	0.023	32%	0.315	C	S	.	.			trans	-70.8	145.1	172.7	-64.2	97.9	0	0	0	111.5	D452 W454 V494 Y495 K496 L552 H553 R590 G592	D452-W555 WeakPolarHBondContact OD1-CZ2 3.38Å; W454-W555 HydrophobicContact CB-CZ2 4.47Å; W454-W555 HydrophobicContact CE3-CB 4.09Å; W454-W555 AromaticContact CE3-CD1 3.78Å; W454-W555 HydrophobicContact CE3-CD2 4.05Å; W454-W555 AromaticContact CE3-CG 3.72Å; W454-W555 HydrophobicContact CE3-CG 3.72Å; W454-W555 HydrophobicContact CZ3-CB 3.91Å; W454-W555 AromaticContact CZ3-CG 3.96Å; W454-W555 HydrophobicContact CZ3-CG 3.96Å; V494-W555 HydrophobicContact CG1-CB 4.21Å; V494-W555 HydrophobicContact CG1-CD2 4.3Å; V494-W555 HydrophobicContact CG1-CE3 3.84Å; V494-W555 HydrophobicContact CG1-CG 4.49Å; Y495-W555 VanDerWaalsContact C-CE3 3.48Å; Y495-W555 CarbonylContact O-C 3.57Å; K496-W555 HydrophobicContact CB-CE3 4.22Å; K496-W555 HydrophobicContact CB-CZ3 4.32Å; K496-W555 HydrophobicContact CD-CD2 3.7Å; K496-W555 HydrophobicContact CD-CE3 4.1Å; K496-W555 HydrophobicContact CD-CG 4.05Å; K496-W555 HydrophobicContact CD-CH2 4.36Å; K496-W555 HydrophobicContact CD-CZ2 3.99Å; K496-W555 HydrophobicContact CD-CZ3 4.4Å; K496-W555 VanDerWaalsContact CE-NE1 3.35Å; K496-W555 HydrophobicContact CG-CB 4.44Å; K496-W555 HydrophobicContact CG-CD2 3.73Å; K496-W555 HydrophobicContact CG-CE3 3.77Å; K496-W555 HydrophobicContact CG-CG 4.04Å; K496-W555 HydrophobicContact CG-CZ3 4.26Å; K496-W555 VanDerWaalsContact NZ-NE1 3.11Å; L552-W555 HydrophobicContact CB-CB 4.42Å; L552-W555 WeakPolarHBondContact CB-O 3.19Å; L552-W555 WeakPolarHBondContact CD1-O 3.4Å; L552-W555 VanDerWaalsContact O-CB 3.24Å; L552-W555 WeakPolarHBondContact O-CB 3.46Å; L552-W555 VanDerWaalsContact O-CD1 3.25Å; L552-W555 PolarHBondContact O-N 3.48Å; H553-W555 VanDerWaalsContact C-N 3.35Å; W555-R590 HydrophobicContact CH2-CB 4.07Å; W555-R590 HydrophobicContact CZ3-CB 4.24Å; W555-G592 VanDerWaalsContact CZ3-CA 3.49Å
556	T	92.5	Very high	80.1	Confident	58 Å²	58	59.2 Å²	59.2	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.3	171.7	-59.4	0	0	0	0	107.8	V494 Y495 Q558	V494-T556 CarbonylContact C-O 3.47Å; V494-T556 WeakPolarHBondContact CA-O 3.4Å; Y495-T556 HydrophobicContact CD1-CG2 4.46Å; Y495-T556 HydrophobicContact CE1-CG2 3.68Å; Y495-T556 PolarHBondContact N-O 3.5Å; Y495-T556 PolarHBondContact O-N 3.47Å; T556-Q558 HydrophobicContact CG2-CG 4.42Å
557	V	90.8	Very high	81.1	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.085	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.8	174.2	-176.2	0	0	0	0	107.8	W454 T492 V494 M543 L552	W454-V557 HydrophobicContact CH2-CG2 4.35Å; T492-V557 HydrophobicContact CG2-CG1 4.03Å; V494-V557 HydrophobicContact CG1-CG2 4.2Å; V494-V557 HydrophobicContact CG2-CG1 4.28Å; V494-V557 HydrophobicContact CG2-CG2 4.13Å; M543-V557 HydrophobicContact CE-CB 4.21Å; M543-V557 HydrophobicContact CE-CG1 4.24Å; M543-V557 HydrophobicContact SD-CB 4.28Å; M543-V557 HydrophobicContact SD-CG1 3.65Å; L552-V557 HydrophobicContact CD1-CG2 4.42Å; L552-V557 HydrophobicContact CD2-CG2 4.25Å
558	Q	89.4	Confident	82.5	Confident	52 Å²	52	58.7 Å²	58.7	24%	0.243	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.3	170.4	-75.4	177.6	-11.9	0	0	108.8	T492 L493 Y495 V503 T556	T492-Q558 CarbonylContact C-O 3.48Å; T492-Q558 WeakPolarHBondContact CA-O 3.32Å; L493-Q558 HydrophobicContact CB-CB 4.42Å; L493-Q558 PolarHBondContact N-O 3.03Å; L493-Q558 PolarHBondContact O-N 3.16Å; Y495-Q558 HydrophobicContact CE1-CG 3.94Å; Y495-Q558 PolarHBondContact OH-NE2 3.36Å; V503-Q558 PolarHBondContact O-NE2 3.06Å; V503-Q558 VanDerWaalsContact O-NE2 3.11Å; V503-Q558 PolarHBondContact O-OE1 2.98Å; T556-Q558 HydrophobicContact CG2-CG 4.42Å
559	C	87.3	Confident	84	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.6	179.2	-161.3	0	0	0	0	109.6	M490 V491 T492 L539 M543	M490-C559 PolarHBondContact SD-SG 3.27Å; V491-C559 WeakPolarHBondContact O-CA 3.47Å; T492-C559 PolarHBondContact OG1-SG 3.37Å; T492-C559 VanDerWaalsContact OG1-SG 3.4Å; L539-C559 HydrophobicContact CD1-CB 3.56Å; L539-C559 WeakPolarHBondContact CD1-SG 3.18Å; M543-C559 HydrophobicContact CG-CB 4.28Å; M543-C559 HydrophobicContact SD-CB 3.7Å
560	S	86.4	Confident	85.9	Confident	9 Å²	9	51 Å²	51	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.3	-174.3	-69.3	0	0	0	0	110.6	M490 V491 P530 E531	M490-S560 VanDerWaalsContact SD-O 3.39Å; V491-S560 PolarHBondContact N-O 2.79Å; V491-S560 PolarHBondContact O-N 3.16Å; P530-S560 VanDerWaalsContact CB-CB 3.44Å; E531-S560 VanDerWaalsContact O-CB 3.27Å; E531-S560 WeakPolarHBondContact O-CB 3.43Å; E531-S560 PolarHBondContact O-OG 3.08Å
561	Q	87.2	Confident	87.7	Confident	42 Å²	42	40.2 Å²	40.2	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.7	171.6	-71.8	-173.3	-29	0	0	110.4	I489 M490	I489-Q561 WeakPolarHBondContact O-CA 3.37Å; M490-Q561 HydrophobicContact CE-CG 3.57Å; M490-Q561 HydrophobicContact SD-CG 3.41Å; M490-Q561 WeakPolarHBondContact SD-CG 3.31Å
562	L	87.4	Confident	89	Confident	25 Å²	25	35.5 Å²	35.5	13%	0.131	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.5	177.1	-73.5	172.3	0	0	0	109.9	R488 I489 V491 L507 V528 P530 L564	R488-L562 CarbonylContact C-O 3.43Å; R488-L562 WeakPolarHBondContact CA-O 3.39Å; I489-L562 HydrophobicContact CD1-CB 4.25Å; I489-L562 HydrophobicContact CD1-CD1 4.47Å; I489-L562 HydrophobicContact CG1-CB 3.81Å; I489-L562 PolarHBondContact N-O 2.78Å; I489-L562 PolarHBondContact O-N 2.7Å; V491-L562 HydrophobicContact CG2-CD1 4.33Å; L507-L562 HydrophobicContact CD1-CD1 4.11Å; V528-L562 HydrophobicContact CG1-CD1 3.97Å; V528-L562 HydrophobicContact CG1-CD2 4.04Å; P530-L562 HydrophobicContact CB-CD1 3.74Å; P530-L562 HydrophobicContact CB-CG 4.12Å; P530-L562 HydrophobicContact CG-CD1 3.69Å; L562-L564 HydrophobicContact CB-CG 4.36Å
563	E	86.4	Confident	89.8	Confident	116 Å²	116	33.5 Å²	33.5	54%	0.542	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.6	167.6	-70.6	-171.3	166	0	0	108.8	R488	R488-E563 HydrophobicContact CB-CG 4.15Å; R488-E563 HydrophobicContact CG-CG 3.92Å; R488-E563 IonicContact CZ-OE1 3.52Å; R488-E563 IonicContact NE-OE1 3.84Å; R488-E563 PolarHBondContact NE-OE1 3.22Å; R488-E563 IonicContact NH2-OE1 3.43Å; R488-E563 PolarHBondContact NH2-OE1 2.76Å
564	L	83.3	Confident	90.4	Very high	21 Å²	21	30 Å²	30	11%	0.11	17%	0.171	C	C	.	.			trans	-130.6	122.5	179	-67.6	177.1	0	0	0	107.5	L485 S487 I489 T509 V528 L562	L485-L564 HydrophobicContact CB-CB 4.35Å; L485-L564 HydrophobicContact CD1-CB 4.31Å; L485-L564 HydrophobicContact CD1-CD1 3.65Å; S487-L564 PolarHBondContact N-O 2.69Å; I489-L564 HydrophobicContact CD1-CD1 3.75Å; I489-L564 HydrophobicContact CG1-CD1 4.47Å; T509-L564 HydrophobicContact CG2-CD1 4.27Å; V528-L564 HydrophobicContact CG1-CD2 4.49Å; V528-L564 HydrophobicContact CG2-CD2 4.21Å; L562-L564 HydrophobicContact CB-CG 4.36Å
565	H	83.4	Confident	90.8	Very high	126 Å²	126	28 Å²	28	58%	0.583	15%	0.146	S	C	*	.			trans	-124.7	135.8	-176.1	-63.4	-64.2	0	0	0	110.9	D486 C567	D486-H565 PolarHBondContact O-ND1 3.13Å; H565-C567 PolarHBondContact O-N 2.87Å
566	G	84.1	Confident	90.9	Very high	26 Å²	26	27.8 Å²	27.8	27%	0.268	15%	0.145	S	C	.	.	S	Bend	trans	62.8	27.6	172.9	0	0	0	0	0	113.3	L485 S512	L485-G566 PolarHBondContact O-N 2.96Å; S512-G566 WeakPolarHBondContact CB-O 3.3Å; S512-G566 PolarHBondContact N-O 3.49Å; S512-G566 PolarHBondContact OG-O 3.4Å
567	C	90.8	Very high	91	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.081	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	168	178.9	76.4	0	0	0	0	111.3	L485 T510 H565	L485-C567 PolarHBondContact N-O 3.36Å; L485-C567 PolarHBondContact O-N 3.32Å; T510-C567 CarbonylContact O-C 3.59Å; T510-C567 VanDerWaalsContact O-CA 3.24Å; T510-C567 WeakPolarHBondContact O-CA 3.43Å; T510-C567 WeakPolarHBondContact O-CB 3.32Å; H565-C567 PolarHBondContact O-N 2.87Å
568	V	92.6	Very high	91.2	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	-180	-179.8	0	0	0	0	108.5	H482 V483 T509 T510 R570	H482-V568 WeakPolarHBondContact ND1-CG1 3.35Å; V483-V568 CarbonylContact O-C 3.5Å; V483-V568 WeakPolarHBondContact O-CA 2.99Å; T509-V568 CarbonylContact C-O 3.58Å; T509-V568 VanDerWaalsContact CA-O 3.24Å; T509-V568 WeakPolarHBondContact CA-O 3.48Å; T510-V568 HydrophobicContact CG2-CB 4.38Å; T510-V568 PolarHBondContact N-O 2.95Å; T510-V568 PolarHBondContact O-N 2.86Å; V568-R570 PolarHBondContact O-N 3.32Å
569	L	94.4	Very high	91.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122.9	170.5	-178.5	60.6	0	0	0	109.9	L481 V483 L485 L507 E571 V572 V596	L481-L569 CarbonylContact C-O 3.51Å; L481-L569 HydrophobicContact CD1-CD2 4.45Å; V483-L569 HydrophobicContact CB-CB 4.13Å; V483-L569 PolarHBondContact N-O 3.24Å; V483-L569 VanDerWaalsContact N-O 3.17Å; V483-L569 PolarHBondContact O-N 3.17Å; L485-L569 HydrophobicContact CD1-CB 3.97Å; L485-L569 HydrophobicContact CD2-CB 4.35Å; L485-L569 HydrophobicContact CG-CB 4.17Å; L507-L569 HydrophobicContact CB-CD1 3.87Å; L507-L569 HydrophobicContact CD2-CD1 3.95Å; L507-L569 HydrophobicContact CG-CD1 4.32Å; L569-E571 WeakPolarHBondContact CD1-O 3.42Å; L569-V572 HydrophobicContact CD1-CG2 4.23Å; L569-V572 HydrophobicContact CD2-CG2 3.89Å; L569-V572 HydrophobicContact CG-CG2 4.31Å; L569-V596 HydrophobicContact CD2-CG2 4.25Å
570	R	93.5	Very high	91.4	Very high	32 Å²	32	34.6 Å²	34.6	12%	0.121	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-38.1	-178.4	-66.3	-56	-166.3	152.6	5.9	113.3	S480 L481 H482 R508 T510 C515 L525 V568	S480-R570 CarbonylContact C-O 3.56Å; S480-R570 WeakPolarHBondContact CA-O 3.42Å; L481-R570 PolarHBondContact N-O 3.34Å; L481-R570 WeakPolarHBondContact O-CA 3.15Å; H482-R570 PolarHBondContact ND1-NH1 3.28Å; H482-R570 PolarHBondContact ND1-NH2 3.21Å; R508-R570 PolarHBondContact O-N 2.8Å; T510-R570 HydrophobicContact CG2-CG 3.77Å; C515-R570 PolarHBondContact SG-NH2 2.8Å; L525-R570 HydrophobicContact CD2-CB 3.9Å; L525-R570 HydrophobicContact CD2-CG 3.88Å; V568-R570 PolarHBondContact O-N 3.32Å
571	E	95.5	Very high	91.4	Very high	20 Å²	20	41.5 Å²	41.5	9%	0.093	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.3	179.4	-39.4	-174.9	140.2	0	0	110.2	K477 F479 R508 L525 L569	K477-E571 VanDerWaalsContact CE-OE1 3.31Å; K477-E571 WeakPolarHBondContact CE-OE1 3.16Å; K477-E571 IonicContact NZ-OE1 3.19Å; K477-E571 PolarHBondContact NZ-OE1 2.71Å; F479-E571 WeakPolarHBondContact O-CA 3.36Å; R508-E571 HydrophobicContact CB-CB 3.97Å; R508-E571 HydrophobicContact CB-CG 4.27Å; R508-E571 WeakPolarHBondContact CD-OE2 3.43Å; R508-E571 IonicContact CZ-OE2 3.22Å; R508-E571 PolarHBondContact N-O 3.41Å; R508-E571 IonicContact NE-OE2 3.52Å; R508-E571 IonicContact NH1-OE2 2.73Å; R508-E571 PolarHBondContact NH1-OE2 3.05Å; R508-E571 PolarHBondContact O-N 2.86Å; L525-E571 HydrophobicContact CD1-CG 3.97Å; L569-E571 WeakPolarHBondContact CD1-O 3.42Å
572	V	96.9	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.3	169.1	179.9	0	0	0	0	106.9	I478 F479 L481 L505 L507 L569 I594	I478-V572 WeakPolarHBondContact CA-O 3.43Å; I478-V572 WeakPolarHBondContact CB-O 3.49Å; I478-V572 PolarHBondContact N-O 2.99Å; F479-V572 HydrophobicContact CB-CB 4.23Å; F479-V572 HydrophobicContact CB-CG2 4.5Å; F479-V572 HydrophobicContact CD2-CB 4.16Å; F479-V572 HydrophobicContact CD2-CG1 4.48Å; F479-V572 PolarHBondContact N-O 3.22Å; F479-V572 PolarHBondContact O-N 3.38Å; L481-V572 HydrophobicContact CD1-CG2 4.04Å; L505-V572 HydrophobicContact CD1-CG1 3.81Å; L505-V572 HydrophobicContact CD2-CG1 4.18Å; L505-V572 HydrophobicContact CG-CG1 4.21Å; L507-V572 HydrophobicContact CD2-CG1 4.26Å; L507-V572 HydrophobicContact CD2-CG2 4.07Å; L569-V572 HydrophobicContact CD1-CG2 4.23Å; L569-V572 HydrophobicContact CD2-CG2 3.89Å; L569-V572 HydrophobicContact CG-CG2 4.31Å; V572-I594 HydrophobicContact CG1-CD1 4.02Å; V572-I594 HydrophobicContact CG1-CG2 4.18Å
573	C	97.5	Very high	91.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.3	-178.6	-57.5	0	0	0	0	110.5	C475 A476 L505 Q506	C475-C573 VanDerWaalsContact SG-CB 3.55Å; A476-C573 CarbonylContact O-C 3.59Å; A476-C573 WeakPolarHBondContact O-CA 3.48Å; A476-C573 WeakPolarHBondContact O-CB 3.5Å; L505-C573 CarbonylContact C-O 3.58Å; L505-C573 WeakPolarHBondContact CA-O 3.48Å; L505-C573 WeakPolarHBondContact CD1-O 3.34Å; Q506-C573 HydrophobicContact CB-CB 4.27Å; Q506-C573 PolarHBondContact N-O 2.9Å; Q506-C573 PolarHBondContact O-N 3.3Å
574	V	97.4	Very high	92	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.9	167.7	172.5	0	0	0	0	107.6	L462 A476 I478 L493 V503 L505 I576 V591 I594	L462-V574 HydrophobicContact CD1-CB 3.86Å; L462-V574 HydrophobicContact CD1-CG1 3.84Å; L462-V574 HydrophobicContact CD1-CG2 4.38Å; A476-V574 PolarHBondContact N-O 2.88Å; A476-V574 PolarHBondContact O-N 2.89Å; I478-V574 HydrophobicContact CD1-CB 4.2Å; I478-V574 HydrophobicContact CD1-CG2 4.07Å; I478-V574 HydrophobicContact CG1-CB 4.22Å; I478-V574 HydrophobicContact CG1-CG2 3.71Å; L493-V574 HydrophobicContact CD1-CG2 4.36Å; V503-V574 HydrophobicContact CG1-CG1 3.5Å; V503-V574 VanDerWaalsContact CG1-CG1 3.5Å; L505-V574 HydrophobicContact CD1-CG2 4.03Å; V574-I576 HydrophobicContact CG1-CG1 4.23Å; V574-V591 HydrophobicContact CG2-CG2 4.31Å; V574-I594 HydrophobicContact CG2-CD1 4.44Å
575	L	96.8	Very high	92.5	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131	176.3	-56.5	-174.1	0	0	0	109.5	P473 I474 C475 V503 S504 Q506	P473-L575 HydrophobicContact CB-CB 4.29Å; I474-L575 CarbonylContact O-C 3.53Å; I474-L575 VanDerWaalsContact O-CA 3.31Å; I474-L575 WeakPolarHBondContact O-CA 3.41Å; C475-L575 HydrophobicContact CB-CD2 3.84Å; V503-L575 WeakPolarHBondContact CA-O 3.47Å; S504-L575 PolarHBondContact N-O 3.22Å; S504-L575 VanDerWaalsContact N-O 3.08Å; S504-L575 PolarHBondContact O-N 3.19Å; Q506-L575 HydrophobicContact CB-CD1 3.95Å; Q506-L575 HydrophobicContact CB-CD2 3.99Å; Q506-L575 HydrophobicContact CB-CG 3.86Å
576	I	96.4	Very high	93.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.1	179.3	-55.8	177.3	0	0	0	108.1	L462 I466 P473 I474 I501 V574 F587 C589	L462-I576 HydrophobicContact CB-CD1 4.14Å; L462-I576 HydrophobicContact CD1-CD1 4.2Å; I466-I576 HydrophobicContact CD1-CG2 4.18Å; P473-I576 CarbonylContact C-O 3.58Å; P473-I576 WeakPolarHBondContact CA-O 3.46Å; I474-I576 HydrophobicContact CB-CB 4.36Å; I474-I576 PolarHBondContact N-O 3.34Å; I474-I576 PolarHBondContact O-N 2.73Å; I501-I576 HydrophobicContact CB-CG2 4.17Å; I501-I576 HydrophobicContact CD1-CG2 4.01Å; I501-I576 HydrophobicContact CG1-CG2 4.49Å; I501-I576 HydrophobicContact CG2-CG2 4.3Å; V574-I576 HydrophobicContact CG1-CG1 4.23Å; I576-F587 HydrophobicContact CD1-CD2 3.89Å; I576-F587 HydrophobicContact CD1-CE2 3.23Å; I576-F587 HydrophobicContact CD1-CZ 3.83Å; I576-F587 HydrophobicContact CG1-CE2 4.48Å; I576-F587 HydrophobicContact CG2-CD2 4.01Å; I576-F587 HydrophobicContact CG2-CE2 4.2Å; I576-F587 HydrophobicContact CG2-CG 4.28Å; I576-C589 HydrophobicContact CD1-CB 4.48Å
577	H	94.4	Very high	93.8	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.37	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132	-176.7	-179.5	73.9	0	0	0	110.8	P473 I501 T502	P473-H577 HydrophobicContact CB-CB 4.18Å; P473-H577 HydrophobicContact CG-CB 4.21Å; I501-H577 CarbonylContact C-O 3.5Å; I501-H577 WeakPolarHBondContact CA-O 3.36Å; T502-H577 PolarHBondContact N-O 3.49Å; T502-H577 PolarHBondContact O-N 3.42Å; T502-H577 WeakPolarHBondContact OG1-CB 3.45Å; T502-H577 PolarHBondContact OG1-O 3.03Å
578	R	94.8	Very high	94.1	Very high	19 Å²	19	45.3 Å²	45.3	7%	0.072	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.2	176.4	176.6	175.5	63.2	-137.5	-8.5	110.3	I466 P467 A468 L470 Q583 M585	I466-R578 HydrophobicContact CD1-CB 4.26Å; I466-R578 HydrophobicContact CG2-CB 4.48Å; P467-R578 PolarHBondContact O-NH1 2.83Å; A468-R578 VanDerWaalsContact CA-NH1 3.3Å; A468-R578 PolarHBondContact O-NH2 3.18Å; L470-R578 PolarHBondContact O-NH2 3.09Å; L470-R578 VanDerWaalsContact O-NH2 3.09Å; R578-Q583 WeakPolarHBondContact CD-O 3.34Å; R578-Q583 PolarHBondContact NH1-O 2.84Å; R578-M585 HydrophobicContact CG-CE 3.82Å; R578-M585 HydrophobicContact CG-SD 4.01Å
579	E	92.4	Very high	94.4	Very high	103 Å²	103	45.1 Å²	45.1	48%	0.481	25%	0.248	S	C	.	.			trans	-91.7	141.9	167.6	-62	-176.6	151.4	0	0	110.7	G500 T502	G500-E579 PolarHBondContact O-N 2.88Å; T502-E579 HydrophobicContact CG2-CG 3.83Å; T502-E579 WeakPolarHBondContact CG2-OE1 3.42Å
580	G	87.3	Confident	94.5	Very high	70 Å²	70	48.9 Å²	48.9	72%	0.722	26%	0.263	S	S	*	.	S	Bend	trans	84.8	-157.7	174.7	0	0	0	0	0	114.4
581	E	86.6	Confident	94.8	Very high	155 Å²	155	47.3 Å²	47.3	72%	0.724	26%	0.257	S	S	*	.	S	Bend	trans	-67	149.9	-169.7	-67.7	-60.6	144.6	0	0	113.1	Q583	E581-Q583 PolarHBondContact O-N 2.88Å
582	P	88.3	Confident	94.9	Very high	76 Å²	76	46.4 Å²	46.4	49%	0.494	25%	0.252	S	S	.	.	S	Bend	trans	-62.2	97.9	176.2	-22.4	34.1	0	0	0	112.9	A468	A468-P582 WeakPolarHBondContact O-CB 3.43Å
583	Q	91.7	Very high	94.8	Very high	114 Å²	114	46.6 Å²	46.6	53%	0.533	25%	0.253	S	S	.	.			trans	-140.8	152	174.7	67.3	-177.2	15.4	0	0	111.2	R578 E581 M585	R578-Q583 WeakPolarHBondContact CD-O 3.34Å; R578-Q583 PolarHBondContact NH1-O 2.84Å; E581-Q583 PolarHBondContact O-N 2.88Å; Q583-M585 PolarHBondContact O-N 3.46Å
584	D	93.8	Very high	94.8	Very high	81 Å²	81	46.6 Å²	46.6	43%	0.433	25%	0.253	S	S	.	.			trans	-57.5	122	170.8	-76.6	7.8	0	0	0	108.5	L465 I466 P467 A468	L465-D584 HydrophobicContact CD1-CB 4.32Å; I466-D584 WeakPolarHBondContact O-CA 3.42Å; P467-D584 WeakPolarHBondContact CA-OD1 3.47Å; A468-D584 WeakPolarHBondContact CB-OD1 3.48Å; A468-D584 PolarHBondContact N-OD1 3.16Å
585	M	94.6	Very high	94.6	Very high	25 Å²	25	46.6 Å²	46.6	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.1	-173.9	179.9	-178.1	-70.8	0	0	110.2	I466 I501 R578 Q583	I466-M585 PolarHBondContact N-O 2.99Å; I466-M585 PolarHBondContact O-N 2.92Å; I501-M585 HydrophobicContact CG2-SD 3.95Å; R578-M585 HydrophobicContact CG-CE 3.82Å; R578-M585 HydrophobicContact CG-SD 4.01Å; Q583-M585 PolarHBondContact O-N 3.46Å
586	T	96.9	Very high	94.4	Very high	111 Å²	111	45.7 Å²	45.7	68%	0.681	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	143.3	166	57	0	0	0	0	109.5	G464 L465	G464-T586 CarbonylContact O-C 3.56Å; G464-T586 VanDerWaalsContact O-CA 3.26Å; G464-T586 WeakPolarHBondContact O-CA 3.24Å; L465-T586 HydrophobicContact CD1-CG2 3.93Å
587	F	97	Very high	94.1	Very high	9 Å²	9	45.8 Å²	45.8	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.9	-179.9	75.5	-89.7	0	0	0	111.3	V444 D463 G464 I466 I474 I501 I576	V444-F587 HydrophobicContact CB-CZ 4.42Å; V444-F587 HydrophobicContact CG2-CZ 4.01Å; D463-F587 WeakPolarHBondContact CA-O 3.21Å; G464-F587 VanDerWaalsContact CA-CE1 3.46Å; G464-F587 PolarHBondContact N-O 3.49Å; G464-F587 WeakPolarHBondContact O-CD1 3.28Å; G464-F587 PolarHBondContact O-N 2.68Å; I466-F587 HydrophobicContact CD1-CD1 3.91Å; I466-F587 HydrophobicContact CD1-CE1 4.42Å; I466-F587 HydrophobicContact CD1-CG 4.42Å; I466-F587 HydrophobicContact CG1-CD1 3.45Å; I466-F587 VanDerWaalsContact CG1-CD1 3.45Å; I466-F587 HydrophobicContact CG1-CE1 3.86Å; I466-F587 HydrophobicContact CG1-CG 4.38Å; I474-F587 HydrophobicContact CD1-CE1 3.72Å; I474-F587 HydrophobicContact CD1-CZ 4.21Å; I501-F587 HydrophobicContact CD1-CB 3.97Å; I501-F587 HydrophobicContact CD1-CD2 4.25Å; I501-F587 HydrophobicContact CD1-CG 4.49Å; I501-F587 HydrophobicContact CG2-CB 3.85Å; I576-F587 HydrophobicContact CD1-CD2 3.89Å; I576-F587 HydrophobicContact CD1-CE2 3.23Å; I576-F587 HydrophobicContact CD1-CZ 3.83Å; I576-F587 HydrophobicContact CG1-CE2 4.48Å; I576-F587 HydrophobicContact CG2-CD2 4.01Å; I576-F587 HydrophobicContact CG2-CE2 4.2Å; I576-F587 HydrophobicContact CG2-CG 4.28Å
588	S	97.8	Very high	93.8	Very high	32 Å²	32	43.7 Å²	43.7	22%	0.224	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.2	169.2	177	0	0	0	0	109.4	L461 L462 A497 S498	L461-S588 VanDerWaalsContact CD1-OG 3.23Å; L461-S588 WeakPolarHBondContact CD1-OG 3.2Å; L462-S588 CarbonylContact O-C 3.51Å; L462-S588 WeakPolarHBondContact O-CA 3.35Å; A497-S588 CarbonylContact C-O 3.56Å; S498-S588 PolarHBondContact N-O 2.66Å; S498-S588 PolarHBondContact OG-N 2.89Å; S498-S588 PolarHBondContact OG-O 2.74Å
589	C	97.9	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.6	174.4	179.6	0	0	0	0	108.9	L462 K496 I501 V503 I576	L462-C589 HydrophobicContact CB-CB 4.38Å; L462-C589 PolarHBondContact N-O 2.67Å; L462-C589 PolarHBondContact O-N 2.92Å; K496-C589 CarbonylContact O-C 3.58Å; K496-C589 WeakPolarHBondContact O-CA 3.48Å; I501-C589 HydrophobicContact CD1-CB 4.45Å; V503-C589 HydrophobicContact CG2-CB 4.43Å; I576-C589 HydrophobicContact CD1-CB 4.48Å
590	R	97.9	Very high	92.3	Very high	79 Å²	79	41.7 Å²	41.7	30%	0.298	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.3	169	-61.7	176.2	179.7	77.4	1.7	108.4	L460 L461 Y495 K496 W555	L460-R590 CarbonylContact O-C 3.36Å; L460-R590 VanDerWaalsContact O-CA 3.26Å; L460-R590 WeakPolarHBondContact O-CA 3.23Å; L461-R590 HydrophobicContact CD1-CG 4.11Å; Y495-R590 CarbonylContact C-O 3.59Å; Y495-R590 WeakPolarHBondContact CA-O 3.26Å; Y495-R590 VanDerWaalsContact CB-O 3.26Å; Y495-R590 WeakPolarHBondContact CB-O 3.19Å; K496-R590 HydrophobicContact CB-CB 4.2Å; K496-R590 PolarHBondContact N-O 3.39Å; K496-R590 PolarHBondContact O-N 2.96Å; W555-R590 HydrophobicContact CH2-CB 4.07Å; W555-R590 HydrophobicContact CZ3-CB 4.24Å
591	V	98.4	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.8	173.5	-168.2	0	0	0	0	107.3	F401 S459 L460 L462 L493 V494 V574 I594	F401-V591 VanDerWaalsContact CD2-O 3.23Å; F401-V591 WeakPolarHBondContact CD2-O 3.28Å; F401-V591 HydrophobicContact CE2-CB 4.05Å; F401-V591 HydrophobicContact CE2-CG1 3.72Å; F401-V591 WeakPolarHBondContact CE2-O 3.18Å; F401-V591 HydrophobicContact CZ-CB 4.3Å; F401-V591 HydrophobicContact CZ-CG1 3.88Å; S459-V591 WeakPolarHBondContact CB-O 3.33Å; L460-V591 HydrophobicContact CB-CB 4.27Å; L460-V591 PolarHBondContact N-O 3.4Å; L460-V591 PolarHBondContact O-N 2.9Å; L462-V591 HydrophobicContact CD1-CG2 3.96Å; L462-V591 HydrophobicContact CG-CG2 4.39Å; L493-V591 HydrophobicContact CD1-CG1 3.53Å; V494-V591 CarbonylContact O-C 3.31Å; V574-V591 HydrophobicContact CG2-CG2 4.31Å; V591-I594 HydrophobicContact CG1-CD1 4.19Å; V591-I594 HydrophobicContact CG1-CG1 3.99Å
592	G	97.1	Very high	90.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-33.7	-175	0	0	0	0	0	112.9	S400 V494 W555	S400-G592 CarbonylContact C-O 3.59Å; S400-G592 VanDerWaalsContact CA-O 3.28Å; S400-G592 WeakPolarHBondContact CA-O 3.47Å; V494-G592 PolarHBondContact O-N 2.82Å; W555-G592 VanDerWaalsContact CZ3-CA 3.49Å
593	E	96	Very high	89.5	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	143.2	-178.6	-176	166.7	-123.9	0	0	111.6	S399 W454 V494 M595 R650	S399-E593 CarbonylContact O-C 3.56Å; S399-E593 WeakPolarHBondContact O-CA 3.33Å; W454-E593 HydrophobicContact CG-CB 4.39Å; W454-E593 PolarHBondContact NE1-OE2 2.63Å; V494-E593 HydrophobicContact CB-CB 4.06Å; V494-E593 HydrophobicContact CG2-CB 3.99Å; V494-E593 PolarHBondContact N-O 3.08Å; V494-E593 PolarHBondContact O-N 2.73Å; E593-M595 HydrophobicContact CG-CG 3.83Å; E593-M595 HydrophobicContact CG-SD 4.33Å; E593-R650 IonicContact OE1-CZ 3.02Å; E593-R650 IonicContact OE1-NH1 2.77Å; E593-R650 PolarHBondContact OE1-NH1 2.76Å; E593-R650 IonicContact OE1-NH2 3.94Å; E593-R650 PolarHBondContact OE1-NH2 3.02Å
594	I	96.4	Very high	88.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.9	166.5	-64.3	176.8	0	0	0	108.7	I398 S399 F401 I478 F479 T492 L493 L505 V572 V574 V591	I398-I594 WeakPolarHBondContact CA-O 3.46Å; S399-I594 PolarHBondContact N-O 3.31Å; S399-I594 PolarHBondContact O-N 2.73Å; F401-I594 HydrophobicContact CZ-CD1 3.92Å; F401-I594 HydrophobicContact CZ-CG1 4Å; I478-I594 HydrophobicContact CG2-CD1 4.35Å; F479-I594 HydrophobicContact CE2-CD1 4.22Å; T492-I594 WeakPolarHBondContact O-CA 3.32Å; L493-I594 HydrophobicContact CD1-CD1 4.3Å; L493-I594 HydrophobicContact CD1-CG1 3.85Å; L505-I594 HydrophobicContact CD1-CD1 3.98Å; L505-I594 HydrophobicContact CD1-CG1 4.49Å; V572-I594 HydrophobicContact CG1-CD1 4.02Å; V572-I594 HydrophobicContact CG1-CG2 4.18Å; V574-I594 HydrophobicContact CG2-CD1 4.44Å; V591-I594 HydrophobicContact CG1-CD1 4.19Å; V591-I594 HydrophobicContact CG1-CG1 3.99Å
595	M	93.9	Very high	87	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138	175.3	-49.8	174.3	69.4	0	0	110.4	F397 I398 V491 T492 L546 E593 L597 R705	F397-M595 CarbonylContact O-C 3.53Å; F397-M595 WeakPolarHBondContact O-CA 3.48Å; I398-M595 HydrophobicContact CD1-CE 4.23Å; I398-M595 HydrophobicContact CG1-CB 4.32Å; I398-M595 HydrophobicContact CG1-CE 4.06Å; I398-M595 HydrophobicContact CG1-CG 4.18Å; I398-M595 HydrophobicContact CG2-CG 4.45Å; V491-M595 CarbonylContact C-O 3.53Å; V491-M595 WeakPolarHBondContact CA-O 3.25Å; T492-M595 PolarHBondContact N-O 2.82Å; T492-M595 PolarHBondContact O-N 3.05Å; L546-M595 HydrophobicContact CD2-SD 3.99Å; E593-M595 HydrophobicContact CG-CG 3.83Å; E593-M595 HydrophobicContact CG-SD 4.33Å; M595-L597 HydrophobicContact CB-CD2 4.27Å; M595-L597 HydrophobicContact CB-CG 4.23Å; M595-L597 HydrophobicContact CE-CD1 3.87Å; M595-L597 HydrophobicContact CE-CD2 4.01Å; M595-L597 HydrophobicContact CE-CG 4.39Å; M595-R705 WeakPolarHBondContact CE-O 3.26Å
596	V	93	Very high	85.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.3	166.3	-171.9	0	0	0	0	106.9	L395 P396 F397 L485 I489 M490 V491 L569	L395-V596 HydrophobicContact CD2-CB 4.08Å; L395-V596 HydrophobicContact CD2-CG1 3.69Å; L395-V596 VanDerWaalsContact CD2-O 3.29Å; L395-V596 WeakPolarHBondContact CD2-O 3.47Å; P396-V596 WeakPolarHBondContact CA-O 3.41Å; F397-V596 HydrophobicContact CB-CB 4.33Å; F397-V596 HydrophobicContact CD1-CG2 4.29Å; F397-V596 PolarHBondContact N-O 2.92Å; F397-V596 PolarHBondContact O-N 2.94Å; L485-V596 HydrophobicContact CD2-CG1 4.49Å; I489-V596 HydrophobicContact CB-CG1 4.36Å; I489-V596 HydrophobicContact CD1-CG1 3.91Å; M490-V596 CarbonylContact O-C 3.54Å; M490-V596 WeakPolarHBondContact O-CA 3.19Å; V491-V596 HydrophobicContact CG2-CG1 4.48Å; L569-V596 HydrophobicContact CD2-CG2 4.25Å
597	L	90	Very high	85	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.1	-171.5	-47.7	173.9	0	0	0	109.6	P396 I398 I489 M490 M595 L602	P396-L597 HydrophobicContact CB-CD2 3.35Å; I398-L597 HydrophobicContact CD1-CD2 4.23Å; I398-L597 HydrophobicContact CG1-CD2 4.17Å; I489-L597 CarbonylContact C-O 3.58Å; I489-L597 WeakPolarHBondContact CA-O 3.31Å; I489-L597 WeakPolarHBondContact CB-O 3.43Å; M490-L597 HydrophobicContact CB-CB 4.33Å; M490-L597 PolarHBondContact N-O 3.4Å; M490-L597 PolarHBondContact O-N 3.42Å; M595-L597 HydrophobicContact CB-CD2 4.27Å; M595-L597 HydrophobicContact CB-CG 4.23Å; M595-L597 HydrophobicContact CE-CD1 3.87Å; M595-L597 HydrophobicContact CE-CD2 4.01Å; M595-L597 HydrophobicContact CE-CG 4.39Å; L597-L602 HydrophobicContact CB-CD2 3.9Å; L597-L602 HydrophobicContact CD1-CD2 3.57Å; L597-L602 HydrophobicContact CG-CD2 4.33Å
598	D	88.1	Confident	84.7	Confident	35 Å²	35	40.4 Å²	40.4	19%	0.187	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.3	167.4	-176.2	-25.6	0	0	0	109	L395 S487 G600 T601 L602	L395-D598 HydrophobicContact CB-CB 4.33Å; L395-D598 HydrophobicContact CD1-CB 3.88Å; S487-D598 PolarHBondContact OG-OD1 3.17Å; S487-D598 PolarHBondContact OG-OD2 2.81Å; D598-G600 PolarHBondContact O-N 2.9Å; D598-G600 WeakPolarHBondContact OD1-CA 3.4Å; D598-G600 PolarHBondContact OD1-N 3.31Å; D598-T601 HydrophobicContact CB-CG2 4.22Å; D598-T601 PolarHBondContact O-N 2.73Å; D598-T601 VanDerWaalsContact O-N 3.13Å; D598-T601 PolarHBondContact O-OG1 2.97Å; D598-L602 WeakPolarHBondContact O-CG 3.42Å; D598-L602 PolarHBondContact O-N 2.73Å
599	V	82	Confident	84.4	Confident	16 Å²	16	39.5 Å²	39.5	10%	0.097	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61.5	-33.5	-179.8	175.1	0	0	0	0	111.9	R488 M490 Q538 T601 L602	R488-V599 HydrophobicContact CB-CB 4.41Å; R488-V599 HydrophobicContact CG-CB 4.34Å; R488-V599 HydrophobicContact CG-CG2 4.03Å; R488-V599 WeakPolarHBondContact O-CB 3.41Å; R488-V599 WeakPolarHBondContact O-CG2 3.43Å; R488-V599 PolarHBondContact O-N 3.47Å; M490-V599 HydrophobicContact CB-CG2 3.98Å; Q538-V599 VanDerWaalsContact OE1-CG1 3.29Å; V599-T601 PolarHBondContact O-N 3.06Å; V599-L602 HydrophobicContact CB-CD1 4.48Å; V599-L602 HydrophobicContact CG2-CD1 4.43Å; V599-L602 PolarHBondContact O-N 2.91Å
600	G	74.3	Confident	84.2	Confident	64 Å²	64	46.1 Å²	46.1	66%	0.66	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-67.7	-22.4	178.5	0	0	0	0	0	113.6	D598	D598-G600 PolarHBondContact O-N 2.9Å; D598-G600 WeakPolarHBondContact OD1-CA 3.4Å; D598-G600 PolarHBondContact OD1-N 3.31Å
601	T	71.6	Confident	83.8	Confident	93 Å²	93	43 Å²	43	57%	0.571	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-107.1	6.7	-178.2	70	0	0	0	0	113.5	D598 V599 Q603	D598-T601 HydrophobicContact CB-CG2 4.22Å; D598-T601 PolarHBondContact O-N 2.73Å; D598-T601 VanDerWaalsContact O-N 3.13Å; D598-T601 PolarHBondContact O-OG1 2.97Å; V599-T601 PolarHBondContact O-N 3.06Å; T601-Q603 PolarHBondContact O-N 2.9Å
602	L	68	Low	83.6	Confident	34 Å²	34	43.3 Å²	43.3	18%	0.178	25%	0.251	C	S	.	.			trans	-69.1	13.8	178.1	-74.4	175.7	0	0	0	114.4	M490 L597 D598 V599	M490-L602 HydrophobicContact CB-CD1 4.44Å; L597-L602 HydrophobicContact CB-CD2 3.9Å; L597-L602 HydrophobicContact CD1-CD2 3.57Å; L597-L602 HydrophobicContact CG-CD2 4.33Å; D598-L602 WeakPolarHBondContact O-CG 3.42Å; D598-L602 PolarHBondContact O-N 2.73Å; V599-L602 HydrophobicContact CB-CD1 4.48Å; V599-L602 HydrophobicContact CG2-CD1 4.43Å; V599-L602 PolarHBondContact O-N 2.91Å
603	Q	64.1	Low	83.5	Confident	154 Å²	154	43.4 Å²	43.4	72%	0.72	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-71.5	136.9	176.1	-65.2	-155.5	-15.2	0	0	110	T601	T601-Q603 PolarHBondContact O-N 2.9Å
604	P	63.3	Low	83.5	Confident	75 Å²	75	43.8 Å²	43.8	49%	0.487	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-57	146.2	172.6	23.8	-31.6	0	0	0	109	T606	P604-T606 PolarHBondContact O-N 2.78Å
605	P	69.4	Low	83.3	Confident	34 Å²	34	45.9 Å²	45.9	22%	0.221	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-49.9	140.7	174.7	-21.9	30.7	0	0	0	109.5	Y644 T704 I710 W714	P605-Y644 WeakPolarHBondContact CB-OH 3.1Å; P605-Y644 WeakPolarHBondContact CG-OH 3.32Å; P605-T704 HydrophobicContact CG-CG2 3.55Å; P605-I710 HydrophobicContact CG-CD1 4.13Å; P605-W714 WeakPolarHBondContact O-CZ3 3.24Å
606	T	67.5	Low	83.3	Confident	103 Å²	103	49 Å²	49	63%	0.632	28%	0.282	S	S	*	.			trans	-94.5	-8.4	-176.7	45.5	0	0	0	0	113	P604 W714	P604-T606 PolarHBondContact O-N 2.78Å; T606-W714 WeakPolarHBondContact O-CH2 3.4Å; T606-W714 VanDerWaalsContact O-CZ3 3.27Å; T606-W714 WeakPolarHBondContact O-CZ3 3.4Å
607	D	82.3	Confident	83.3	Confident	76 Å²	76	50.6 Å²	50.6	41%	0.406	29%	0.292	S	S	.	.			trans	-105.3	133.3	-176.9	-76.7	-56.6	0	0	0	112.6	R610	D607-R610 IonicContact OD1-CZ 2.73Å; D607-R610 IonicContact OD1-NH2 3.2Å; D607-R610 PolarHBondContact OD1-NH2 2.86Å
608	P	89.9	Confident	83.5	Confident	45 Å²	45	51.1 Å²	51.1	29%	0.292	30%	0.295	S	S	.	.			trans	-73	160.6	169.1	32.3	-35.1	0	0	0	110.8	R610 W714	P608-R610 HydrophobicContact CG-CG 4.41Å; P608-R610 WeakPolarHBondContact O-CG 3.26Å; P608-R610 PolarHBondContact O-N 2.87Å; P608-W714 WeakPolarHBondContact CA-O 3.18Å; P608-W714 HydrophobicContact CB-CB 4.01Å; P608-W714 HydrophobicContact CB-CG 4.22Å
609	V	92.1	Very high	83.7	Confident	13 Å²	13	49.8 Å²	49.8	8%	0.079	29%	0.287	C	S	.	.			trans	-66.1	127.4	167.3	-179.6	0	0	0	0	109.1	W642 Y644 P702 W714	V609-W642 HydrophobicContact CG1-CB 3.73Å; V609-W642 HydrophobicContact CG1-CG 3.94Å; V609-Y644 HydrophobicContact CB-CD2 4.39Å; V609-Y644 HydrophobicContact CG2-CD2 3.74Å; V609-Y644 HydrophobicContact CG2-CE2 4.21Å; V609-Y644 HydrophobicContact CG2-CG 4.46Å; V609-P702 HydrophobicContact CG2-CG 3.45Å; V609-P702 VanDerWaalsContact CG2-CG 3.45Å; V609-W714 PolarHBondContact N-O 2.82Å
610	R	92.3	Very high	84.1	Confident	139 Å²	139	51.5 Å²	51.5	53%	0.525	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.5	-175.9	-60.1	-175.2	-168.4	-174.6	7.3	111.9	D607 P608 L612 D643	D607-R610 IonicContact OD1-CZ 2.73Å; D607-R610 IonicContact OD1-NH2 3.2Å; D607-R610 PolarHBondContact OD1-NH2 2.86Å; P608-R610 HydrophobicContact CG-CG 4.41Å; P608-R610 WeakPolarHBondContact O-CG 3.26Å; P608-R610 PolarHBondContact O-N 2.87Å; R610-L612 VanDerWaalsContact C-N 3.3Å; R610-L612 PolarHBondContact O-N 3.17Å; R610-D643 PolarHBondContact N-O 2.83Å; R610-D643 VanDerWaalsContact N-O 3.16Å; R610-D643 PolarHBondContact O-N 3.25Å
611	G	89.8	Confident	84.7	Confident	15 Å²	15	52.7 Å²	52.7	16%	0.155	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	43.2	171.9	0	0	0	0	0	115.2	F45 C613	F45-G611 WeakPolarHBondContact CD1-O 3.39Å; G611-C613 PolarHBondContact O-N 3.37Å; G611-C613 VanDerWaalsContact O-N 3.15Å
612	L	94.8	Very high	84.7	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	115.9	169.6	179.2	63.8	0	0	0	109.3	R610 L640 R641 W642 V700 G716 R718	R610-L612 VanDerWaalsContact C-N 3.3Å; R610-L612 PolarHBondContact O-N 3.17Å; L612-L640 HydrophobicContact CD1-CB 4.24Å; L612-R641 CarbonylContact C-O 3.55Å; L612-R641 VanDerWaalsContact CA-O 3.28Å; L612-R641 WeakPolarHBondContact CA-O 3.34Å; L612-W642 HydrophobicContact CB-CB 4.36Å; L612-W642 HydrophobicContact CD1-CB 4.03Å; L612-W642 HydrophobicContact CD1-CD2 4.45Å; L612-W642 HydrophobicContact CD1-CE3 3.83Å; L612-V700 HydrophobicContact CD1-CG2 3.79Å; L612-V700 HydrophobicContact CD2-CG2 3.98Å; L612-G716 VanDerWaalsContact CD2-C 3.48Å; L612-R718 HydrophobicContact CD2-CB 4.13Å; L612-R718 HydrophobicContact CG-CB 4.21Å; L612-R718 VanDerWaalsContact O-CD 3.28Å; L612-R718 WeakPolarHBondContact O-CD 3.33Å; L612-R718 PolarHBondContact O-NE 2.84Å; L612-R718 PolarHBondContact O-NH1 2.89Å
613	C	94.7	Very high	84.3	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	160.7	176.4	67.5	0	0	0	0	112.8	C44 G611 D615 L640 R641	C44-C613 HydrophobicContact CB-CB 4.02Å; C44-C613 WeakPolarHBondContact SG-CB 3.2Å; G611-C613 PolarHBondContact O-N 3.37Å; G611-C613 VanDerWaalsContact O-N 3.15Å; C613-D615 PolarHBondContact SG-OD2 3.3Å; C613-L640 WeakPolarHBondContact O-CA 3.41Å; C613-R641 PolarHBondContact N-O 3.13Å; C613-R641 PolarHBondContact O-N 2.97Å; C613-R641 VanDerWaalsContact SG-CB 3.55Å; C613-R641 PolarHBondContact SG-O 3.17Å
614	I	95.4	Very high	83.9	Confident	11 Å²	11	45 Å²	45	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.1	172.6	-55.6	173.6	0	0	0	106.7	V53 V617 A638 T639 L640 L698 R718 L720	V53-I614 HydrophobicContact CG2-CB 4.46Å; I614-V617 HydrophobicContact CG2-CG2 3.88Å; I614-A638 HydrophobicContact CG2-CB 3.81Å; I614-T639 WeakPolarHBondContact CA-O 3.19Å; I614-L640 HydrophobicContact CB-CD2 4.38Å; I614-L640 HydrophobicContact CG1-CD2 3.76Å; I614-L640 HydrophobicContact CG2-CD2 4.43Å; I614-L698 HydrophobicContact CD1-CD1 3.93Å; I614-L698 HydrophobicContact CG1-CD1 4.34Å; I614-R718 HydrophobicContact CD1-CB 3.92Å; I614-R718 HydrophobicContact CD1-CG 3.88Å; I614-R718 HydrophobicContact CG1-CB 4.11Å; I614-R718 HydrophobicContact CG1-CG 3.98Å; I614-L720 HydrophobicContact CD1-CB 4.02Å
615	D	93.3	Very high	83.3	Confident	44 Å²	44	47.3 Å²	47.3	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	171.5	-179.2	-61.9	-51.5	0	0	0	110.6	C613 V617 T639 R641	C613-D615 PolarHBondContact SG-OD2 3.3Å; D615-V617 VanDerWaalsContact C-N 3.28Å; D615-V617 PolarHBondContact O-N 3.09Å; D615-V617 VanDerWaalsContact O-N 3.17Å; D615-T639 PolarHBondContact N-O 2.92Å; D615-T639 PolarHBondContact O-N 3.4Å; D615-R641 IonicContact OD2-CZ 3.05Å; D615-R641 IonicContact OD2-NH1 3.92Å; D615-R641 PolarHBondContact OD2-NH1 3.49Å
616	D	92.8	Very high	82.2	Confident	67 Å²	67	48.1 Å²	48.1	36%	0.358	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.4	44.7	170.2	-51.8	-46.1	0	0	0	114	L64 T639 R641 R683	L64-D616 HydrophobicContact CD2-CB 4.09Å; D616-T639 PolarHBondContact OD2-OG1 2.77Å; D616-R641 IonicContact OD2-NH2 3.35Å; D616-R683 PolarHBondContact O-NH1 3.42Å
617	V	94.1	Very high	81.4	Confident	33 Å²	33	50 Å²	50	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.1	-178.9	178.2	0	0	0	0	110.3	E55 I614 D615 W619 L636 N637 A638	E55-V617 HydrophobicContact CG-CB 4.5Å; E55-V617 HydrophobicContact CG-CG1 4.21Å; E55-V617 HydrophobicContact CG-CG2 4.35Å; I614-V617 HydrophobicContact CG2-CG2 3.88Å; D615-V617 VanDerWaalsContact C-N 3.28Å; D615-V617 PolarHBondContact O-N 3.09Å; D615-V617 VanDerWaalsContact O-N 3.17Å; V617-W619 HydrophobicContact CG1-CZ2 4.32Å; V617-L636 HydrophobicContact CG1-CD1 3.68Å; V617-N637 CarbonylContact C-O 3.51Å; V617-N637 WeakPolarHBondContact CA-O 3.47Å; V617-A638 HydrophobicContact CG2-CB 4.19Å
618	V	93.6	Very high	79.8	Confident	14 Å²	14	55.1 Å²	55.1	9%	0.085	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.9	175.6	-178.5	0	0	0	0	108.9	L620 N637	V618-L620 HydrophobicContact CG1-CD2 4.15Å; V618-L620 HydrophobicContact CG1-CG 4.45Å; V618-N637 HydrophobicContact CB-CB 4.2Å; V618-N637 PolarHBondContact N-O 3.33Å; V618-N637 PolarHBondContact O-N 2.83Å
619	W	93.1	Very high	77.9	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.4	179.3	-66	99.8	0	0	0	110.8	E55 I57 Y59 V617 L634 L636 V689 L720 Y722	E55-W619 HydrophobicContact CB-CZ2 4.23Å; I57-W619 HydrophobicContact CB-CG 4.36Å; I57-W619 HydrophobicContact CG1-CD2 3.85Å; I57-W619 HydrophobicContact CG1-CE3 4.2Å; I57-W619 HydrophobicContact CG1-CG 4.18Å; I57-W619 HydrophobicContact CG1-CZ2 4.29Å; I57-W619 HydrophobicContact CG2-CB 3.9Å; I57-W619 HydrophobicContact CG2-CD2 4.37Å; I57-W619 HydrophobicContact CG2-CG 3.93Å; Y59-W619 HydrophobicContact CD1-CB 4.4Å; Y59-W619 HydrophobicContact CE1-CB 4.32Å; V617-W619 HydrophobicContact CG1-CZ2 4.32Å; W619-L634 HydrophobicContact CE3-CD1 3.82Å; W619-L634 HydrophobicContact CE3-CD2 4.01Å; W619-L634 HydrophobicContact CE3-CG 3.89Å; W619-L634 HydrophobicContact CZ3-CD1 4.38Å; W619-L634 HydrophobicContact CZ3-CD2 3.75Å; W619-L634 HydrophobicContact CZ3-CG 3.98Å; W619-L636 HydrophobicContact CD2-CD1 4.48Å; W619-L636 HydrophobicContact CE3-CB 4.49Å; W619-L636 HydrophobicContact CE3-CD1 4.41Å; W619-L636 HydrophobicContact CH2-CD1 3.98Å; W619-L636 HydrophobicContact CZ2-CD1 4.03Å; W619-L636 HydrophobicContact CZ3-CB 4.11Å; W619-L636 HydrophobicContact CZ3-CD1 4.19Å; W619-V689 HydrophobicContact CZ3-CG2 3.84Å; W619-L720 HydrophobicContact CZ2-CD2 4.41Å; W619-Y722 AromaticContact CH2-CD1 3.62Å; W619-Y722 HydrophobicContact CH2-CD1 3.62Å; W619-Y722 AromaticContact CH2-CD2 3.65Å; W619-Y722 HydrophobicContact CH2-CD2 3.65Å; W619-Y722 HydrophobicContact CH2-CE1 4.01Å; W619-Y722 HydrophobicContact CH2-CE2 4.02Å; W619-Y722 AromaticContact CH2-CG 3.41Å; W619-Y722 HydrophobicContact CH2-CG 3.41Å; W619-Y722 VanDerWaalsContact CH2-CG 3.41Å; W619-Y722 HydrophobicContact CZ2-CD1 4.2Å; W619-Y722 HydrophobicContact CZ2-CD2 4.26Å; W619-Y722 AromaticContact CZ2-CG 3.79Å; W619-Y722 HydrophobicContact CZ2-CG 3.79Å; W619-Y722 HydrophobicContact CZ3-CD2 4.17Å; W619-Y722 HydrophobicContact CZ3-CE2 4.24Å; W619-Y722 HydrophobicContact CZ3-CG 4.36Å
620	L	89.8	Confident	75.9	Confident	52 Å²	52	61 Å²	61	27%	0.272	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.4	179.1	-56.1	173.1	0	0	0	110.3	V618 R635	V618-L620 HydrophobicContact CG1-CD2 4.15Å; V618-L620 HydrophobicContact CG1-CG 4.45Å; L620-R635 HydrophobicContact CB-CB 4.27Å; L620-R635 PolarHBondContact N-O 3.14Å; L620-R635 PolarHBondContact O-N 3.03Å
621	R	87.6	Confident	74.4	Confident	89 Å²	89	58 Å²	58	34%	0.336	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.6	164.1	-84.9	-169.1	-178.5	-75.4	-0.1	109.1	Y59 S632 C633 L634 E691	Y59-R621 HydrophobicContact CE1-CB 4.45Å; Y59-R621 HydrophobicContact CE1-CG 3.77Å; Y59-R621 PolarHBondContact OH-NE 2.87Å; R621-S632 PolarHBondContact NH1-O 2.67Å; R621-S632 VanDerWaalsContact NH1-O 3.17Å; R621-C633 WeakPolarHBondContact CA-O 3.47Å; R621-L634 HydrophobicContact CG-CD1 4.44Å; R621-E691 IonicContact CZ-OE1 3.96Å; R621-E691 IonicContact CZ-OE2 3.26Å; R621-E691 IonicContact NH1-OE1 3.99Å; R621-E691 PolarHBondContact NH1-OE1 2.9Å; R621-E691 IonicContact NH1-OE2 3.05Å; R621-E691 PolarHBondContact NH1-OE2 3.35Å; R621-E691 IonicContact NH2-OE1 2.97Å; R621-E691 IonicContact NH2-OE2 2.73Å; R621-E691 PolarHBondContact NH2-OE2 2.73Å
622	G	70	Confident	73.7	Confident	22 Å²	22	59.9 Å²	59.9	23%	0.227	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	170.8	179.7	0	0	0	0	0	112.4	S632 C633	G622-S632 CarbonylContact O-C 3.57Å; G622-S632 VanDerWaalsContact O-CA 3.25Å; G622-S632 WeakPolarHBondContact O-CA 3.46Å; G622-C633 PolarHBondContact N-O 2.65Å; G622-C633 VanDerWaalsContact N-O 3.16Å; G622-C633 PolarHBondContact O-N 2.96Å
623	A	60.5	Low	73.3	Confident	84 Å²	84	60.9 Å²	60.9	69%	0.694	38%	0.382	S	S	*	.			trans	-60.3	143.7	172	0	0	0	0	0	110.7	R635	A623-R635 PolarHBondContact O-NH2 2.89Å
624	G	56.6	Low	73.2	Confident	15 Å²	15	60.8 Å²	60.8	16%	0.155	38%	0.381	C	S	.	.			trans	-63.7	161.6	176.7	0	0	0	0	0	112.5	S626 C633	G624-S626 PolarHBondContact O-N 2.83Å; G624-S626 VanDerWaalsContact O-N 3.16Å; G624-C633 VanDerWaalsContact CA-SG 3.58Å
625	S	49.6	Very low	73.1	Confident	123 Å²	123	63.3 Å²	63.3	86%	0.86	39%	0.39	S	S	*	.	S	Bend	trans	-69.7	-5.8	-179.8	54	0	0	0	0	114.2
626	S	46.7	Very low	73.2	Confident	51 Å²	51	61.2 Å²	61.2	36%	0.357	38%	0.379	S	S	.	.	S	Bend	trans	-113.8	132	176.2	179.5	0	0	0	0	110.7	G624 E628 S629	G624-S626 PolarHBondContact O-N 2.83Å; G624-S626 VanDerWaalsContact O-N 3.16Å; S626-E628 PolarHBondContact O-N 3.38Å; S626-E628 PolarHBondContact OG-N 2.79Å; S626-S629 PolarHBondContact O-N 2.83Å; S626-S629 VanDerWaalsContact O-N 3.14Å; S626-S629 PolarHBondContact O-OG 2.83Å; S626-S629 VanDerWaalsContact O-OG 3.09Å
627	P	50.4	Low	73.4	Confident	142 Å²	142	58 Å²	58	92%	0.922	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.6	173.2	-21.2	31.2	0	0	0	114.1
628	E	48.8	Very low	73.4	Confident	184 Å²	184	56.5 Å²	56.5	86%	0.86	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-10	-177.8	-62.2	-175.5	169.1	0	0	113.9	S626	S626-E628 PolarHBondContact O-N 3.38Å; S626-E628 PolarHBondContact OG-N 2.79Å
629	S	50.9	Low	73.6	Confident	46 Å²	46	55.8 Å²	55.8	32%	0.322	35%	0.348	S	S	.	.			trans	-91.4	110.5	178.1	65.4	0	0	0	0	111.1	S626 S631	S626-S629 PolarHBondContact O-N 2.83Å; S626-S629 VanDerWaalsContact O-N 3.14Å; S626-S629 PolarHBondContact O-OG 2.83Å; S626-S629 VanDerWaalsContact O-OG 3.09Å; S629-S631 PolarHBondContact O-N 3.4Å
630	S	49.2	Very low	73.8	Confident	134 Å²	134	55.5 Å²	55.5	94%	0.937	35%	0.347	S	S	*	.			trans	-75.7	-3.4	173.7	55.3	0	0	0	0	114.2
631	S	61	Low	74.2	Confident	76 Å²	76	55.4 Å²	55.4	53%	0.531	34%	0.343	S	S	.	.	S	Bend	trans	-86.8	121.7	179.9	58.2	0	0	0	0	111.6	S629 C633	S629-S631 PolarHBondContact O-N 3.4Å; S631-C633 PolarHBondContact O-N 2.82Å
632	S	75.1	Confident	74.6	Confident	55 Å²	55	51.4 Å²	51.4	39%	0.385	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62	129	170.3	58.7	0	0	0	0	110.8	R621 G622	R621-S632 PolarHBondContact NH1-O 2.67Å; R621-S632 VanDerWaalsContact NH1-O 3.17Å; G622-S632 CarbonylContact O-C 3.57Å; G622-S632 VanDerWaalsContact O-CA 3.25Å; G622-S632 WeakPolarHBondContact O-CA 3.46Å
633	C	86.9	Confident	75.8	Confident	27 Å²	27	54.8 Å²	54.8	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.2	177.5	-61.7	0	0	0	0	111.9	R621 G622 G624 S631 L688	R621-C633 WeakPolarHBondContact CA-O 3.47Å; G622-C633 PolarHBondContact N-O 2.65Å; G622-C633 VanDerWaalsContact N-O 3.16Å; G622-C633 PolarHBondContact O-N 2.96Å; G624-C633 VanDerWaalsContact CA-SG 3.58Å; S631-C633 PolarHBondContact O-N 2.82Å; C633-L688 HydrophobicContact CB-CD1 3.39Å
634	L	92.4	Very high	77.3	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.7	173.2	-171.5	65.8	0	0	0	111	I57 Y59 W619 R621 V689 Y722	I57-L634 HydrophobicContact CD1-CD1 4.33Å; I57-L634 HydrophobicContact CD1-CD2 3.71Å; I57-L634 HydrophobicContact CG2-CD1 4.48Å; Y59-L634 HydrophobicContact CE1-CD1 4.15Å; W619-L634 HydrophobicContact CE3-CD1 3.82Å; W619-L634 HydrophobicContact CE3-CD2 4.01Å; W619-L634 HydrophobicContact CE3-CG 3.89Å; W619-L634 HydrophobicContact CZ3-CD1 4.38Å; W619-L634 HydrophobicContact CZ3-CD2 3.75Å; W619-L634 HydrophobicContact CZ3-CG 3.98Å; R621-L634 HydrophobicContact CG-CD1 4.44Å; L634-V689 HydrophobicContact CB-CG2 4.29Å; L634-V689 HydrophobicContact CD2-CG2 3.98Å; L634-V689 HydrophobicContact CG-CG2 3.92Å; L634-V689 PolarHBondContact O-N 3.03Å; L634-V689 VanDerWaalsContact O-N 3.09Å; L634-Y722 HydrophobicContact CD2-CD2 4.37Å; L634-Y722 HydrophobicContact CD2-CE2 3.82Å
635	R	93.8	Very high	78.9	Confident	64 Å²	64	52.8 Å²	52.8	24%	0.242	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.4	175.7	-59.7	-178.9	-174.8	-172.7	-1.8	111.2	L620 A623 E686 L687	L620-R635 HydrophobicContact CB-CB 4.27Å; L620-R635 PolarHBondContact N-O 3.14Å; L620-R635 PolarHBondContact O-N 3.03Å; A623-R635 PolarHBondContact O-NH2 2.89Å; R635-E686 IonicContact CZ-OE1 3.72Å; R635-E686 IonicContact NH1-OE1 3.74Å; R635-E686 PolarHBondContact NH1-OE1 3.08Å; R635-L687 CarbonylContact C-O 3.54Å; R635-L687 WeakPolarHBondContact CA-O 3.39Å
636	L	94.7	Very high	80.7	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.7	178.3	172.8	65.8	0	0	0	110.3	V617 W619 A638 L687 V689 L696 L720	V617-L636 HydrophobicContact CG1-CD1 3.68Å; W619-L636 HydrophobicContact CD2-CD1 4.48Å; W619-L636 HydrophobicContact CE3-CB 4.49Å; W619-L636 HydrophobicContact CE3-CD1 4.41Å; W619-L636 HydrophobicContact CH2-CD1 3.98Å; W619-L636 HydrophobicContact CZ2-CD1 4.03Å; W619-L636 HydrophobicContact CZ3-CB 4.11Å; W619-L636 HydrophobicContact CZ3-CD1 4.19Å; L636-A638 HydrophobicContact CD1-CB 4.34Å; L636-A638 HydrophobicContact CG-CB 4.49Å; L636-L687 HydrophobicContact CB-CB 4.43Å; L636-L687 PolarHBondContact N-O 2.84Å; L636-L687 WeakPolarHBondContact O-CB 3.32Å; L636-L687 PolarHBondContact O-N 2.78Å; L636-V689 HydrophobicContact CB-CG1 3.95Å; L636-V689 HydrophobicContact CB-CG2 4.32Å; L636-V689 HydrophobicContact CD2-CG1 4.48Å; L636-L696 HydrophobicContact CD2-CD2 3.93Å; L636-L720 HydrophobicContact CD1-CD2 4.01Å; L636-L720 HydrophobicContact CD2-CD2 3.59Å; L636-L720 HydrophobicContact CG-CD2 4.49Å
637	N	95.8	Very high	82.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	161.9	-52.4	-2.8	0	0	0	108.3	T73 T74 V617 V618 V684 E686	T73-N637 PolarHBondContact O-ND2 2.94Å; T74-N637 PolarHBondContact OG1-ND2 3.13Å; V617-N637 CarbonylContact C-O 3.51Å; V617-N637 WeakPolarHBondContact CA-O 3.47Å; V618-N637 HydrophobicContact CB-CB 4.2Å; V618-N637 PolarHBondContact N-O 3.33Å; V618-N637 PolarHBondContact O-N 2.83Å; N637-V684 CarbonylContact C-O 3.52Å; N637-V684 WeakPolarHBondContact CA-O 3.43Å; N637-E686 WeakPolarHBondContact OD1-CA 3.47Å; N637-E686 PolarHBondContact OD1-N 3.44Å
638	A	96	Very high	84.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	148.4	179.3	0	0	0	0	0	111.2	I614 V617 L636 R683 V684	I614-A638 HydrophobicContact CG2-CB 3.81Å; V617-A638 HydrophobicContact CG2-CB 4.19Å; L636-A638 HydrophobicContact CD1-CB 4.34Å; L636-A638 HydrophobicContact CG-CB 4.49Å; A638-R683 CarbonylContact O-C 3.59Å; A638-R683 WeakPolarHBondContact O-CA 3.24Å; A638-V684 PolarHBondContact N-O 2.89Å; A638-V684 PolarHBondContact O-N 2.84Å
639	T	97.2	Very high	86.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.8	173.3	-61.6	0	0	0	0	109.5	F98 I614 D615 D616 R641 R683	F98-T639 HydrophobicContact CE2-CG2 4.05Å; F98-T639 HydrophobicContact CZ-CG2 3.91Å; I614-T639 WeakPolarHBondContact CA-O 3.19Å; D615-T639 PolarHBondContact N-O 2.92Å; D615-T639 PolarHBondContact O-N 3.4Å; D616-T639 PolarHBondContact OD2-OG1 2.77Å; T639-R641 HydrophobicContact CG2-CG 4.17Å; T639-R683 PolarHBondContact OG1-NH1 2.88Å
640	L	97.9	Very high	88.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.4	171.9	-54	-176.7	0	0	0	109.5	L612 C613 I614 W642 V654 Q681 F682 V684 L698	L612-L640 HydrophobicContact CD1-CB 4.24Å; C613-L640 WeakPolarHBondContact O-CA 3.41Å; I614-L640 HydrophobicContact CB-CD2 4.38Å; I614-L640 HydrophobicContact CG1-CD2 3.76Å; I614-L640 HydrophobicContact CG2-CD2 4.43Å; L640-W642 HydrophobicContact CB-CE3 4.26Å; L640-W642 HydrophobicContact CB-CZ3 3.94Å; L640-V654 HydrophobicContact CD1-CG1 3.76Å; L640-Q681 CarbonylContact O-C 3.48Å; L640-Q681 WeakPolarHBondContact O-CA 3.47Å; L640-F682 WeakPolarHBondContact CA-O 3.42Å; L640-F682 WeakPolarHBondContact CB-O 3.39Å; L640-F682 PolarHBondContact N-O 2.91Å; L640-F682 PolarHBondContact O-N 3.03Å; L640-V684 HydrophobicContact CD1-CG2 3.85Å; L640-V684 HydrophobicContact CG-CG2 4.13Å; L640-L698 HydrophobicContact CD1-CB 4.42Å; L640-L698 HydrophobicContact CD1-CD1 4.41Å; L640-L698 HydrophobicContact CD2-CD1 3.76Å
641	R	97.3	Very high	90.3	Very high	51 Å²	51	33.8 Å²	33.8	19%	0.192	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.8	168	-45.8	179.2	177	111.4	1.9	109.7	L612 C613 D615 D616 T639 N680 Q681	L612-R641 CarbonylContact C-O 3.55Å; L612-R641 VanDerWaalsContact CA-O 3.28Å; L612-R641 WeakPolarHBondContact CA-O 3.34Å; C613-R641 PolarHBondContact N-O 3.13Å; C613-R641 PolarHBondContact O-N 2.97Å; C613-R641 VanDerWaalsContact SG-CB 3.55Å; C613-R641 PolarHBondContact SG-O 3.17Å; D615-R641 IonicContact OD2-CZ 3.05Å; D615-R641 IonicContact OD2-NH1 3.92Å; D615-R641 PolarHBondContact OD2-NH1 3.49Å; D616-R641 IonicContact OD2-NH2 3.35Å; T639-R641 HydrophobicContact CG2-CG 4.17Å; R641-N680 WeakPolarHBondContact CA-O 3.23Å; R641-Q681 HydrophobicContact CG-CB 4.13Å
642	W	96.2	Very high	92	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	168.7	179.2	58	90.6	0	0	0	110.6	V609 L612 L640 F652 V654 A677 S679 N680 F682 V700	V609-W642 HydrophobicContact CG1-CB 3.73Å; V609-W642 HydrophobicContact CG1-CG 3.94Å; L612-W642 HydrophobicContact CB-CB 4.36Å; L612-W642 HydrophobicContact CD1-CB 4.03Å; L612-W642 HydrophobicContact CD1-CD2 4.45Å; L612-W642 HydrophobicContact CD1-CE3 3.83Å; L640-W642 HydrophobicContact CB-CE3 4.26Å; L640-W642 HydrophobicContact CB-CZ3 3.94Å; W642-F652 HydrophobicContact CZ2-CB 3.92Å; W642-F652 HydrophobicContact CZ2-CD1 4.26Å; W642-F652 AromaticContact CZ2-CD2 3.64Å; W642-F652 HydrophobicContact CZ2-CD2 3.64Å; W642-F652 HydrophobicContact CZ2-CE2 4.19Å; W642-F652 AromaticContact CZ2-CG 3.67Å; W642-F652 HydrophobicContact CZ2-CG 3.67Å; W642-F652 AromaticContact NE1-CD1 3.55Å; W642-F652 AromaticContact NE1-CD2 3.87Å; W642-F652 AromaticContact NE1-CE1 3.36Å; W642-F652 AromaticContact NE1-CE2 3.69Å; W642-F652 AromaticContact NE1-CG 3.8Å; W642-F652 AromaticContact NE1-CZ 3.43Å; W642-V654 HydrophobicContact CH2-CG2 4.44Å; W642-A677 HydrophobicContact CH2-CB 3.9Å; W642-A677 HydrophobicContact CZ2-CB 4.24Å; W642-S679 WeakPolarHBondContact CZ2-O 3.25Å; W642-N680 PolarHBondContact N-O 2.87Å; W642-N680 PolarHBondContact NE1-OD1 2.92Å; W642-N680 WeakPolarHBondContact O-CB 3.33Å; W642-F682 HydrophobicContact CH2-CB 3.79Å; W642-F682 HydrophobicContact CZ3-CB 3.9Å; W642-V700 HydrophobicContact CD2-CG1 3.96Å; W642-V700 HydrophobicContact CD2-CG2 4.25Å; W642-V700 HydrophobicContact CE3-CG1 4.42Å; W642-V700 HydrophobicContact CE3-CG2 3.96Å; W642-V700 HydrophobicContact CG-CG1 4.4Å; W642-V700 HydrophobicContact CH2-CG1 4.37Å; W642-V700 HydrophobicContact CZ2-CG1 3.89Å; W642-V700 HydrophobicContact CZ3-CG2 4.14Å
643	D	94.3	Very high	93	Very high	92 Å²	92	28.3 Å²	28.3	49%	0.492	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.8	174.3	-174.3	37.3	0	0	0	110.8	F45 R610	F45-D643 HydrophobicContact CD1-CB 4.37Å; F45-D643 HydrophobicContact CE1-CB 4.12Å; R610-D643 PolarHBondContact N-O 2.83Å; R610-D643 VanDerWaalsContact N-O 3.16Å; R610-D643 PolarHBondContact O-N 3.25Å
644	Y	92.6	Very high	93.5	Very high	7 Å²	7	27 Å²	27	3%	0.027	13%	0.134	C	C	.	.			trans	-168.3	143	178.2	-162.1	-88.6	0	0	0	110.8	P605 V609 V646 S648 V649 F652 N680 P702	P605-Y644 WeakPolarHBondContact CB-OH 3.1Å; P605-Y644 WeakPolarHBondContact CG-OH 3.32Å; V609-Y644 HydrophobicContact CB-CD2 4.39Å; V609-Y644 HydrophobicContact CG2-CD2 3.74Å; V609-Y644 HydrophobicContact CG2-CE2 4.21Å; V609-Y644 HydrophobicContact CG2-CG 4.46Å; Y644-V646 PolarHBondContact O-N 2.67Å; Y644-S648 VanDerWaalsContact CE1-OG 3.3Å; Y644-S648 WeakPolarHBondContact CE1-OG 3.34Å; Y644-V649 HydrophobicContact CD1-CG1 4.08Å; Y644-V649 HydrophobicContact CD1-CG2 4.38Å; Y644-V649 HydrophobicContact CE1-CG1 3.41Å; Y644-V649 VanDerWaalsContact CE1-CG1 3.41Å; Y644-V649 HydrophobicContact CE1-CG2 4.45Å; Y644-F652 AromaticContact CD1-CE1 3.66Å; Y644-F652 HydrophobicContact CD1-CE1 3.66Å; Y644-F652 AromaticContact CD1-CZ 3.77Å; Y644-F652 HydrophobicContact CD1-CZ 3.77Å; Y644-F652 HydrophobicContact CE1-CE1 4.46Å; Y644-F652 AromaticContact CG-CE1 3.77Å; Y644-F652 HydrophobicContact CG-CE1 3.77Å; Y644-F652 HydrophobicContact CG-CZ 4.08Å; Y644-N680 PolarHBondContact N-ND2 2.78Å; Y644-N680 PolarHBondContact O-ND2 3.16Å; Y644-N680 PolarHBondContact O-OD1 2.85Å; Y644-P702 HydrophobicContact CD1-CB 4.36Å; Y644-P702 HydrophobicContact CD2-CG 4.17Å; Y644-P702 HydrophobicContact CE1-CB 3.88Å; Y644-P702 HydrophobicContact CE1-CG 4.43Å; Y644-P702 HydrophobicContact CE2-CB 4.04Å; Y644-P702 HydrophobicContact CE2-CG 3.68Å
645	P	90.4	Very high	93.7	Very high	51 Å²	51	27.9 Å²	27.9	33%	0.331	14%	0.137	S	C	.	.			trans	-68.2	100.4	176.8	25	-32.9	0	0	0	112	E647 S648	P645-E647 WeakPolarHBondContact CB-OE1 3.39Å; P645-E647 PolarHBondContact O-N 3.37Å; P645-S648 WeakPolarHBondContact O-CB 3.09Å; P645-S648 PolarHBondContact O-N 3.04Å; P645-S648 VanDerWaalsContact O-N 3.1Å; P645-S648 PolarHBondContact O-OG 3.21Å
646	V	87.9	Confident	93.9	Very high	42 Å²	42	25.9 Å²	25.9	26%	0.255	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-59.6	-33.9	-174.1	-179.6	0	0	0	0	112	Y644 S648 V649 F652 N680	Y644-V646 PolarHBondContact O-N 2.67Å; V646-S648 PolarHBondContact O-N 2.79Å; V646-V649 WeakPolarHBondContact O-CG2 3.45Å; V646-V649 PolarHBondContact O-N 2.72Å; V646-F652 HydrophobicContact CG2-CE2 4.41Å; V646-N680 HydrophobicContact CG2-CB 4.42Å; V646-N680 VanDerWaalsContact CG2-OD1 3.25Å; V646-N680 WeakPolarHBondContact CG2-OD1 3.36Å
647	E	86.1	Confident	93.9	Very high	140 Å²	140	28.7 Å²	28.7	65%	0.654	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-63.7	-20.9	179.3	66.3	-81	-171.9	0	0	114	P645 R705	P645-E647 WeakPolarHBondContact CB-OE1 3.39Å; P645-E647 PolarHBondContact O-N 3.37Å; E647-R705 WeakPolarHBondContact O-CD 3.33Å; E647-R705 PolarHBondContact O-NH1 2.72Å
648	S	86.1	Confident	93.9	Very high	40 Å²	40	31.7 Å²	31.7	28%	0.28	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-87	-11.3	-179.8	75.5	0	0	0	0	113.9	Y644 P645 V646 R705	Y644-S648 VanDerWaalsContact CE1-OG 3.3Å; Y644-S648 WeakPolarHBondContact CE1-OG 3.34Å; P645-S648 WeakPolarHBondContact O-CB 3.09Å; P645-S648 PolarHBondContact O-N 3.04Å; P645-S648 VanDerWaalsContact O-N 3.1Å; P645-S648 PolarHBondContact O-OG 3.21Å; V646-S648 PolarHBondContact O-N 2.79Å; S648-R705 PolarHBondContact O-N 3.22Å
649	V	90.3	Very high	93.8	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159	-177.8	-72	0	0	0	0	111.5	Y644 V646 F652 P702 V703	Y644-V649 HydrophobicContact CD1-CG1 4.08Å; Y644-V649 HydrophobicContact CD1-CG2 4.38Å; Y644-V649 HydrophobicContact CE1-CG1 3.41Å; Y644-V649 VanDerWaalsContact CE1-CG1 3.41Å; Y644-V649 HydrophobicContact CE1-CG2 4.45Å; V646-V649 WeakPolarHBondContact O-CG2 3.45Å; V646-V649 PolarHBondContact O-N 2.72Å; V649-F652 HydrophobicContact CG2-CE1 4.2Å; V649-F652 HydrophobicContact CG2-CE2 3.88Å; V649-F652 HydrophobicContact CG2-CZ 3.67Å; V649-P702 HydrophobicContact CG1-CB 3.61Å; V649-V703 CarbonylContact C-O 3.51Å; V649-V703 VanDerWaalsContact CA-O 3.27Å; V649-V703 WeakPolarHBondContact CA-O 3.48Å; V649-V703 VanDerWaalsContact CB-O 3.24Å; V649-V703 WeakPolarHBondContact CB-O 3.49Å
650	R	90.6	Very high	93.6	Very high	41 Å²	41	40.6 Å²	40.6	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-41.2	167.7	-57.5	-163.8	-173.5	-172.5	10.1	111.1	I398 E428 E593 V703 R705	I398-R650 VanDerWaalsContact CG2-NH2 3.26Å; E428-R650 IonicContact OE1-NH1 3.57Å; E593-R650 IonicContact OE1-CZ 3.02Å; E593-R650 IonicContact OE1-NH1 2.77Å; E593-R650 PolarHBondContact OE1-NH1 2.76Å; E593-R650 IonicContact OE1-NH2 3.94Å; E593-R650 PolarHBondContact OE1-NH2 3.02Å; R650-V703 PolarHBondContact N-O 2.58Å; R650-R705 HydrophobicContact CG-CB 4.46Å; R650-R705 HydrophobicContact CG-CG 4.05Å; R650-R705 PolarHBondContact NE-O 2.95Å; R650-R705 VanDerWaalsContact NE-O 3.09Å; R650-R705 PolarHBondContact NH2-O 3.36Å
651	H	94.5	Very high	93.1	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.032	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	175.6	-179.4	58.5	-89.5	0	0	0	109.2	A677 Y678 V703	H651-A677 CarbonylContact C-O 3.47Å; H651-A677 WeakPolarHBondContact CA-O 3.25Å; H651-A677 WeakPolarHBondContact CB-O 3.4Å; H651-Y678 HydrophobicContact CB-CD1 3.74Å; H651-Y678 HydrophobicContact CB-CE1 3.57Å; H651-Y678 HydrophobicContact CB-CG 4.49Å; H651-V703 WeakPolarHBondContact O-CB 3.46Å; H651-V703 PolarHBondContact O-N 3.08Å
652	F	96.2	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.7	167.8	-56.7	-89.9	0	0	0	109.7	W642 Y644 V646 V649 R676 A677 N680 V700 E701 P702	W642-F652 HydrophobicContact CZ2-CB 3.92Å; W642-F652 HydrophobicContact CZ2-CD1 4.26Å; W642-F652 AromaticContact CZ2-CD2 3.64Å; W642-F652 HydrophobicContact CZ2-CD2 3.64Å; W642-F652 HydrophobicContact CZ2-CE2 4.19Å; W642-F652 AromaticContact CZ2-CG 3.67Å; W642-F652 HydrophobicContact CZ2-CG 3.67Å; W642-F652 AromaticContact NE1-CD1 3.55Å; W642-F652 AromaticContact NE1-CD2 3.87Å; W642-F652 AromaticContact NE1-CE1 3.36Å; W642-F652 AromaticContact NE1-CE2 3.69Å; W642-F652 AromaticContact NE1-CG 3.8Å; W642-F652 AromaticContact NE1-CZ 3.43Å; Y644-F652 AromaticContact CD1-CE1 3.66Å; Y644-F652 HydrophobicContact CD1-CE1 3.66Å; Y644-F652 AromaticContact CD1-CZ 3.77Å; Y644-F652 HydrophobicContact CD1-CZ 3.77Å; Y644-F652 HydrophobicContact CE1-CE1 4.46Å; Y644-F652 AromaticContact CG-CE1 3.77Å; Y644-F652 HydrophobicContact CG-CE1 3.77Å; Y644-F652 HydrophobicContact CG-CZ 4.08Å; V646-F652 HydrophobicContact CG2-CE2 4.41Å; V649-F652 HydrophobicContact CG2-CE1 4.2Å; V649-F652 HydrophobicContact CG2-CE2 3.88Å; V649-F652 HydrophobicContact CG2-CZ 3.67Å; F652-R676 CarbonylContact O-C 3.54Å; F652-R676 VanDerWaalsContact O-CA 3.26Å; F652-R676 WeakPolarHBondContact O-CA 3.49Å; F652-A677 HydrophobicContact CB-CB 4.35Å; F652-A677 PolarHBondContact N-O 3.48Å; F652-A677 PolarHBondContact O-N 2.88Å; F652-N680 WeakPolarHBondContact CE2-OD1 3.48Å; F652-N680 WeakPolarHBondContact CZ-OD1 3.12Å; F652-V700 HydrophobicContact CB-CG1 3.81Å; F652-V700 HydrophobicContact CD1-CG1 3.78Å; F652-V700 HydrophobicContact CG-CG1 4.07Å; F652-E701 CarbonylContact C-O 3.51Å; F652-E701 WeakPolarHBondContact CA-O 3.05Å; F652-P702 HydrophobicContact CD1-CB 4.04Å; F652-P702 HydrophobicContact CE1-CB 3.99Å
653	R	96.2	Very high	92	Very high	16 Å²	16	44.6 Å²	44.6	6%	0.06	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.3	170.6	-68.9	171.9	76.2	-128.1	-0.8	107.7	R411 E416 Y655 L673 R676 V700 E701 V703	R411-R653 VanDerWaalsContact CZ-NH1 3.28Å; E416-R653 IonicContact OE1-CZ 2.76Å; E416-R653 VanDerWaalsContact OE1-CZ 3.26Å; E416-R653 IonicContact OE1-NE 2.81Å; E416-R653 PolarHBondContact OE1-NE 3.14Å; E416-R653 IonicContact OE1-NH2 3.62Å; E416-R653 PolarHBondContact OE1-NH2 2.89Å; R653-Y655 HydrophobicContact CB-CD2 4.23Å; R653-Y655 HydrophobicContact CB-CE2 3.6Å; R653-Y655 PolarHBondContact NH1-OH 3.23Å; R653-Y655 PolarHBondContact NH2-OH 2.86Å; R653-Y655 VanDerWaalsContact NH2-OH 3.08Å; R653-Y655 WeakPolarHBondContact O-CD2 3.2Å; R653-L673 HydrophobicContact CB-CD1 3.76Å; R653-L673 HydrophobicContact CG-CD1 4.2Å; R653-R676 HydrophobicContact CG-CG 4.49Å; R653-V700 WeakPolarHBondContact O-CA 3.24Å; R653-E701 HydrophobicContact CB-CB 4.21Å; R653-E701 WeakPolarHBondContact CD-OE2 3.26Å; R653-E701 IonicContact CZ-OE2 2.9Å; R653-E701 PolarHBondContact N-O 2.82Å; R653-E701 IonicContact NE-OE2 3.68Å; R653-E701 IonicContact NH1-OE1 3.23Å; R653-E701 IonicContact NH1-OE2 3.38Å; R653-E701 PolarHBondContact NH1-OE2 2.81Å; R653-E701 PolarHBondContact O-N 3.24Å; R653-V703 HydrophobicContact CG-CG2 3.74Å
654	V	97.4	Very high	91.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.9	-178.8	-175.3	0	0	0	0	108.1	L640 W642 L674 A675 A677 F682 L699	L640-V654 HydrophobicContact CD1-CG1 3.76Å; W642-V654 HydrophobicContact CH2-CG2 4.44Å; V654-L674 HydrophobicContact CG1-CD1 4.25Å; V654-L674 WeakPolarHBondContact O-CB 3.39Å; V654-L674 PolarHBondContact O-N 2.99Å; V654-A675 PolarHBondContact N-O 2.78Å; V654-A675 PolarHBondContact O-N 3.16Å; V654-A677 HydrophobicContact CG2-CB 4Å; V654-F682 HydrophobicContact CB-CD1 4.33Å; V654-F682 HydrophobicContact CG1-CD1 4.02Å; V654-F682 HydrophobicContact CG1-CE1 4.36Å; V654-F682 HydrophobicContact CG2-CB 4.23Å; V654-F682 HydrophobicContact CG2-CD1 4.06Å; V654-F682 HydrophobicContact CG2-CG 4.02Å; V654-L699 WeakPolarHBondContact CA-O 3.45Å
655	Y	97.3	Very high	91.3	Very high	20 Å²	20	55.3 Å²	55.3	8%	0.078	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.5	-172.1	-74.8	-82.4	0	0	0	111.8	R653 L671 E672 L673 L698 L699 E701 W715	R653-Y655 HydrophobicContact CB-CD2 4.23Å; R653-Y655 HydrophobicContact CB-CE2 3.6Å; R653-Y655 PolarHBondContact NH1-OH 3.23Å; R653-Y655 PolarHBondContact NH2-OH 2.86Å; R653-Y655 VanDerWaalsContact NH2-OH 3.08Å; R653-Y655 WeakPolarHBondContact O-CD2 3.2Å; Y655-L671 HydrophobicContact CD1-CD1 4.2Å; Y655-L671 HydrophobicContact CD1-CD2 3.94Å; Y655-L671 HydrophobicContact CD1-CG 3.68Å; Y655-L671 HydrophobicContact CE1-CD2 4.14Å; Y655-L671 HydrophobicContact CE1-CG 4.21Å; Y655-L671 HydrophobicContact CG-CD1 4.22Å; Y655-L671 HydrophobicContact CG-CD2 4.22Å; Y655-L671 HydrophobicContact CG-CG 4.13Å; Y655-E672 VanDerWaalsContact CA-O 3.32Å; Y655-E672 WeakPolarHBondContact CA-O 3.32Å; Y655-E672 WeakPolarHBondContact CD1-O 3.43Å; Y655-L673 HydrophobicContact CD1-CB 4.12Å; Y655-L673 HydrophobicContact CD1-CD1 4.26Å; Y655-L673 HydrophobicContact CE1-CB 3.78Å; Y655-L673 HydrophobicContact CE1-CD1 3.89Å; Y655-L673 HydrophobicContact CE1-CG 4.47Å; Y655-L673 HydrophobicContact CE2-CD1 4.2Å; Y655-L698 WeakPolarHBondContact O-CA 3.33Å; Y655-L699 PolarHBondContact N-O 2.81Å; Y655-L699 PolarHBondContact O-N 2.68Å; Y655-E701 HydrophobicContact CD2-CB 4.4Å; Y655-E701 HydrophobicContact CE2-CB 3.99Å; Y655-E701 WeakPolarHBondContact CE2-OE2 3.45Å; Y655-E701 PolarHBondContact OH-OE2 2.94Å; Y655-W715 HydrophobicContact CD2-CZ3 4.03Å; Y655-W715 HydrophobicContact CE2-CH2 4.11Å; Y655-W715 AromaticContact CE2-CZ3 3.89Å; Y655-W715 HydrophobicContact CE2-CZ3 3.89Å
656	W	97.2	Very high	91.1	Very high	22 Å²	22	56.6 Å²	56.6	8%	0.083	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.9	165.6	86.3	-64.3	0	0	0	112.3	E672 L674 L687 L688 V689 L696 E697 L698	W656-E672 PolarHBondContact N-O 2.71Å; W656-E672 PolarHBondContact NE1-OE2 3.44Å; W656-E672 PolarHBondContact O-N 3.48Å; W656-L674 HydrophobicContact CB-CD1 3.96Å; W656-L674 HydrophobicContact CB-CG 4.26Å; W656-L674 HydrophobicContact CG-CD1 4.31Å; W656-L674 HydrophobicContact CG-CD2 4.03Å; W656-L674 HydrophobicContact CG-CG 4.25Å; W656-L687 HydrophobicContact CB-CD2 4.27Å; W656-L687 HydrophobicContact CD2-CD1 4.07Å; W656-L687 HydrophobicContact CD2-CD2 3.99Å; W656-L687 HydrophobicContact CD2-CG 4.46Å; W656-L687 HydrophobicContact CE3-CD2 4.23Å; W656-L687 HydrophobicContact CG-CD1 4.24Å; W656-L687 HydrophobicContact CG-CD2 4.01Å; W656-L687 HydrophobicContact CZ2-CD1 4.25Å; W656-L688 WeakPolarHBondContact CH2-O 3.12Å; W656-V689 HydrophobicContact CZ3-CG1 4.23Å; W656-L696 HydrophobicContact CE3-CB 4.26Å; W656-L696 HydrophobicContact CE3-CD2 4.43Å; W656-L696 HydrophobicContact CZ3-CB 4.43Å; W656-E697 CarbonylContact C-O 3.45Å; W656-E697 WeakPolarHBondContact CA-O 3.31Å; W656-L698 HydrophobicContact CB-CD2 3.63Å
657	R	95.5	Very high	91.2	Very high	58 Å²	58	58.8 Å²	58.8	22%	0.219	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	151	163.6	61.1	-179.2	176.6	-157.2	-4.9	111.4	L659 Q670 L671 L696 E697 E712	R657-L659 HydrophobicContact CG-CD2 4.13Å; R657-Q670 WeakPolarHBondContact CB-O 3.37Å; R657-L671 HydrophobicContact CB-CD1 4.42Å; R657-L671 HydrophobicContact CG-CD1 4.38Å; R657-L696 WeakPolarHBondContact O-CA 3.35Å; R657-E697 HydrophobicContact CG-CB 4.17Å; R657-E697 IonicContact CZ-OE2 2.71Å; R657-E697 PolarHBondContact N-O 2.86Å; R657-E697 IonicContact NE-OE2 3.62Å; R657-E697 PolarHBondContact NE-OE2 2.96Å; R657-E697 IonicContact NH2-OE1 2.82Å; R657-E697 IonicContact NH2-OE2 3.85Å; R657-E697 PolarHBondContact NH2-OE2 2.93Å; R657-E697 PolarHBondContact O-N 2.93Å; R657-E712 IonicContact NH1-OE1 2.67Å
658	R	94.9	Very high	91.4	Very high	63 Å²	63	56.1 Å²	56.1	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.6	164.6	-178.5	-174	69.5	-145.8	-11.4	109.6	I666 P667 P668 G669 P690	R658-I666 VanDerWaalsContact CZ-CG2 3.46Å; R658-P667 PolarHBondContact NH2-O 3.18Å; R658-P668 CarbonylContact O-C 3.49Å; R658-P668 VanDerWaalsContact O-CA 3.25Å; R658-P668 WeakPolarHBondContact O-CA 3.15Å; R658-G669 PolarHBondContact O-N 3.08Å; R658-P690 HydrophobicContact CB-CG 4.28Å; R658-P690 HydrophobicContact CG-CG 3.9Å
659	L	93.8	Very high	91.6	Very high	31 Å²	31	55.3 Å²	55.3	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-47.5	170.1	-64.5	-175.9	0	0	0	111.9	R657 V695 E697 Q719	R657-L659 HydrophobicContact CG-CD2 4.13Å; L659-V695 WeakPolarHBondContact CA-O 3.35Å; L659-V695 HydrophobicContact CB-CB 4.42Å; L659-V695 HydrophobicContact CB-CG1 4.33Å; L659-V695 WeakPolarHBondContact CB-O 3.44Å; L659-V695 HydrophobicContact CD1-CG1 4.25Å; L659-V695 PolarHBondContact N-O 2.84Å; L659-E697 HydrophobicContact CD1-CB 3.85Å; L659-E697 HydrophobicContact CD2-CB 4.22Å; L659-E697 HydrophobicContact CG-CB 3.91Å; L659-Q719 VanDerWaalsContact CD1-CD 3.47Å; L659-Q719 HydrophobicContact CD1-CG 3.74Å
660	R	92.2	Very high	91.8	Very high	157 Å²	157	62.9 Å²	62.9	59%	0.592	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.3	-179.1	-68.8	-178.2	-77.6	-172.7	-3.9	110.1	S694 V695	R660-S694 WeakPolarHBondContact O-CA 3.27Å; R660-V695 HydrophobicContact CB-CB 4.13Å; R660-V695 HydrophobicContact CB-CG2 4.22Å; R660-V695 PolarHBondContact N-O 3.46Å; R660-V695 PolarHBondContact O-N 2.98Å
661	G	87.7	Confident	92	Very high	21 Å²	21	63.7 Å²	63.7	22%	0.216	32%	0.324	C	S	.	.			trans	-139.8	-173.4	174	0	0	0	0	0	112.2	D663 P693 S694	G661-D663 PolarHBondContact O-N 2.68Å; G661-P693 CarbonylContact C-O 3.44Å; G661-P693 VanDerWaalsContact C-O 3.29Å; G661-S694 WeakPolarHBondContact CA-OG 3.37Å
662	P	83.9	Confident	92	Very high	75 Å²	75	68.1 Å²	68.1	49%	0.487	34%	0.344	S	S	.	.	S	Bend	trans	-64.5	-30.5	-176.8	22.7	-32.9	0	0	0	112.4	P664 E691 P693 S694	P662-P664 WeakPolarHBondContact O-CD 3.4Å; P662-E691 WeakPolarHBondContact CD-O 3.24Å; P662-P693 WeakPolarHBondContact CD-O 3.34Å; P662-S694 WeakPolarHBondContact CD-OG 3.37Å
663	D	87.8	Confident	92	Very high	43 Å²	43	70.6 Å²	70.6	23%	0.23	36%	0.357	C	S	.	.	S	Bend	trans	-96.3	107.7	171.2	-172.8	-11.4	0	0	0	110.4	G661 R665 I666	G661-D663 PolarHBondContact O-N 2.68Å; D663-R665 PolarHBondContact O-N 2.81Å; D663-R665 VanDerWaalsContact O-N 3.13Å; D663-R665 VanDerWaalsContact OD1-CB 3.25Å; D663-R665 WeakPolarHBondContact OD1-CB 3.26Å; D663-R665 WeakPolarHBondContact OD1-CG 3.43Å; D663-R665 IonicContact OD1-CZ 2.79Å; D663-R665 PolarHBondContact OD1-N 2.92Å; D663-R665 IonicContact OD1-NE 2.66Å; D663-R665 PolarHBondContact OD1-NE 3.12Å; D663-R665 IonicContact OD1-NH2 2.96Å; D663-R665 IonicContact OD2-CZ 3.6Å; D663-R665 IonicContact OD2-NE 3.15Å; D663-R665 PolarHBondContact OD2-NE 3.04Å; D663-R665 IonicContact OD2-NH2 3.31Å; D663-R665 PolarHBondContact OD2-NH2 3.31Å; D663-I666 HydrophobicContact CB-CD1 3.83Å; D663-I666 HydrophobicContact CB-CG1 3.89Å; D663-I666 PolarHBondContact O-N 2.9Å; D663-I666 VanDerWaalsContact O-N 3.17Å
664	P	82.8	Confident	91.9	Very high	120 Å²	120	72.5 Å²	72.5	78%	0.779	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10	-177.8	30	-36.5	0	0	0	113.5	P662 I666	P662-P664 WeakPolarHBondContact O-CD 3.4Å; P664-I666 VanDerWaalsContact C-N 3.29Å
665	R	88.5	Confident	91.7	Very high	204 Å²	204	73.7 Å²	73.7	77%	0.77	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.7	176.2	-58.9	170.9	-66.5	-178.8	3.6	112.3	D663 P667	D663-R665 PolarHBondContact O-N 2.81Å; D663-R665 VanDerWaalsContact O-N 3.13Å; D663-R665 VanDerWaalsContact OD1-CB 3.25Å; D663-R665 WeakPolarHBondContact OD1-CB 3.26Å; D663-R665 WeakPolarHBondContact OD1-CG 3.43Å; D663-R665 IonicContact OD1-CZ 2.79Å; D663-R665 PolarHBondContact OD1-N 2.92Å; D663-R665 IonicContact OD1-NE 2.66Å; D663-R665 PolarHBondContact OD1-NE 3.12Å; D663-R665 IonicContact OD1-NH2 2.96Å; D663-R665 IonicContact OD2-CZ 3.6Å; D663-R665 IonicContact OD2-NE 3.15Å; D663-R665 PolarHBondContact OD2-NE 3.04Å; D663-R665 IonicContact OD2-NH2 3.31Å; D663-R665 PolarHBondContact OD2-NH2 3.31Å; R665-P667 WeakPolarHBondContact O-CD 3.43Å
666	I	87.3	Confident	91.6	Very high	79 Å²	79	73.9 Å²	73.9	41%	0.405	38%	0.379	S	S	.	.	S	Bend	trans	-81.9	120.6	179.6	-52.5	179.8	0	0	0	108.2	R658 D663 P664	R658-I666 VanDerWaalsContact CZ-CG2 3.46Å; D663-I666 HydrophobicContact CB-CD1 3.83Å; D663-I666 HydrophobicContact CB-CG1 3.89Å; D663-I666 PolarHBondContact O-N 2.9Å; D663-I666 VanDerWaalsContact O-N 3.17Å; P664-I666 VanDerWaalsContact C-N 3.29Å
667	P	88.9	Confident	91.6	Very high	88 Å²	88	73 Å²	73	57%	0.571	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-66.5	164.3	179.7	28.2	-34.9	0	0	0	112	R658 R665 G669	R658-P667 PolarHBondContact NH2-O 3.18Å; R665-P667 WeakPolarHBondContact O-CD 3.43Å; P667-G669 PolarHBondContact O-N 3.04Å
668	P	90.8	Very high	91.6	Very high	83 Å²	83	72.3 Å²	72.3	54%	0.539	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-48.6	141.6	168.4	-26.3	34.3	0	0	0	111.6	R658	R658-P668 CarbonylContact O-C 3.49Å; R658-P668 VanDerWaalsContact O-CA 3.25Å; R658-P668 WeakPolarHBondContact O-CA 3.15Å
669	G	90.9	Very high	91.6	Very high	24 Å²	24	70.7 Å²	70.7	25%	0.247	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.2	165.1	175.6	0	0	0	0	0	111.7	R658 P667	R658-G669 PolarHBondContact O-N 3.08Å; P667-G669 PolarHBondContact O-N 3.04Å
670	Q	94	Very high	91.7	Very high	169 Å²	169	71 Å²	71	79%	0.79	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-68.4	158.7	168.1	-66.7	-173.9	-2.2	0	0	110	R657 E672	R657-Q670 WeakPolarHBondContact CB-O 3.37Å; Q670-E672 PolarHBondContact O-N 2.99Å
671	L	94.6	Very high	91.9	Very high	57 Å²	57	64.9 Å²	64.9	30%	0.298	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-75.9	120.1	174.1	-173.6	71.8	0	0	0	109.5	Y655 R657 L699 W715	Y655-L671 HydrophobicContact CD1-CD1 4.2Å; Y655-L671 HydrophobicContact CD1-CD2 3.94Å; Y655-L671 HydrophobicContact CD1-CG 3.68Å; Y655-L671 HydrophobicContact CE1-CD2 4.14Å; Y655-L671 HydrophobicContact CE1-CG 4.21Å; Y655-L671 HydrophobicContact CG-CD1 4.22Å; Y655-L671 HydrophobicContact CG-CD2 4.22Å; Y655-L671 HydrophobicContact CG-CG 4.13Å; R657-L671 HydrophobicContact CB-CD1 4.42Å; R657-L671 HydrophobicContact CG-CD1 4.38Å; L671-L699 HydrophobicContact CD1-CD1 3.71Å; L671-W715 HydrophobicContact CD2-CH2 4.46Å; L671-W715 HydrophobicContact CD2-CZ3 3.86Å
672	E	95.3	Very high	92.3	Very high	100 Å²	100	64.7 Å²	64.7	47%	0.467	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.9	-175.6	-69.8	178	-168.7	0	0	110.9	Y655 W656 Q670 L674	Y655-E672 VanDerWaalsContact CA-O 3.32Å; Y655-E672 WeakPolarHBondContact CA-O 3.32Å; Y655-E672 WeakPolarHBondContact CD1-O 3.43Å; W656-E672 PolarHBondContact N-O 2.71Å; W656-E672 PolarHBondContact NE1-OE2 3.44Å; W656-E672 PolarHBondContact O-N 3.48Å; Q670-E672 PolarHBondContact O-N 2.99Å; E672-L674 PolarHBondContact O-N 2.89Å
673	L	94.8	Very high	93	Very high	52 Å²	52	61.1 Å²	61.1	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.8	175	-179.4	71.2	0	0	0	109.4	E416 R653 Y655	E416-L673 HydrophobicContact CG-CD2 3.52Å; E416-L673 WeakPolarHBondContact OE1-CD2 3.44Å; R653-L673 HydrophobicContact CB-CD1 3.76Å; R653-L673 HydrophobicContact CG-CD1 4.2Å; Y655-L673 HydrophobicContact CD1-CB 4.12Å; Y655-L673 HydrophobicContact CD1-CD1 4.26Å; Y655-L673 HydrophobicContact CE1-CB 3.78Å; Y655-L673 HydrophobicContact CE1-CD1 3.89Å; Y655-L673 HydrophobicContact CE1-CG 4.47Å; Y655-L673 HydrophobicContact CE2-CD1 4.2Å
674	L	94.2	Very high	93.4	Very high	57 Å²	57	59.3 Å²	59.3	30%	0.298	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-53.8	173.6	-67	-179.4	0	0	0	111.4	V654 W656 E672 V684 L687 L698	V654-L674 HydrophobicContact CG1-CD1 4.25Å; V654-L674 WeakPolarHBondContact O-CB 3.39Å; V654-L674 PolarHBondContact O-N 2.99Å; W656-L674 HydrophobicContact CB-CD1 3.96Å; W656-L674 HydrophobicContact CB-CG 4.26Å; W656-L674 HydrophobicContact CG-CD1 4.31Å; W656-L674 HydrophobicContact CG-CD2 4.03Å; W656-L674 HydrophobicContact CG-CG 4.25Å; E672-L674 PolarHBondContact O-N 2.89Å; L674-V684 HydrophobicContact CD1-CG1 4.32Å; L674-V684 HydrophobicContact CD1-CG2 4.2Å; L674-L687 HydrophobicContact CD1-CD2 4.14Å; L674-L687 HydrophobicContact CD2-CD1 3.49Å; L674-L687 VanDerWaalsContact CD2-CD1 3.49Å; L674-L687 HydrophobicContact CD2-CD2 4.37Å; L674-L687 HydrophobicContact CD2-CG 4.48Å; L674-L698 HydrophobicContact CD1-CD2 4.01Å
675	A	93.9	Very high	94	Very high	24 Å²	24	55.7 Å²	55.7	20%	0.198	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	170.1	-171.8	0	0	0	0	0	112.4	V654 F682	V654-A675 PolarHBondContact N-O 2.78Å; V654-A675 PolarHBondContact O-N 3.16Å; A675-F682 HydrophobicContact CB-CE1 4.1Å; A675-F682 HydrophobicContact CB-CE2 3.59Å; A675-F682 HydrophobicContact CB-CZ 3.26Å
676	R	95.2	Very high	94.2	Very high	25 Å²	25	49.6 Å²	49.6	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.4	162.1	-62.6	-177.9	-176.8	-164.9	0.2	109	V409 Y410 E416 D455 F652 R653 Y678	V409-R676 VanDerWaalsContact CG1-CZ 3.5Å; Y410-R676 PolarHBondContact O-NH2 3.47Å; E416-R676 IonicContact OE2-CZ 2.9Å; E416-R676 IonicContact OE2-NE 3.73Å; E416-R676 PolarHBondContact OE2-NE 3.45Å; E416-R676 IonicContact OE2-NH2 3.53Å; E416-R676 PolarHBondContact OE2-NH2 3.21Å; D455-R676 IonicContact OD1-CZ 3.74Å; D455-R676 IonicContact OD1-NH1 2.68Å; D455-R676 PolarHBondContact OD1-NH1 3.09Å; D455-R676 IonicContact OD1-NH2 3.58Å; F652-R676 CarbonylContact O-C 3.54Å; F652-R676 VanDerWaalsContact O-CA 3.26Å; F652-R676 WeakPolarHBondContact O-CA 3.49Å; R653-R676 HydrophobicContact CG-CG 4.49Å; R676-Y678 HydrophobicContact CB-CE2 4.08Å
677	A	96.4	Very high	94.5	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.1	173.9	0	0	0	0	0	110.4	W642 H651 F652 V654 F682	W642-A677 HydrophobicContact CH2-CB 3.9Å; W642-A677 HydrophobicContact CZ2-CB 4.24Å; H651-A677 CarbonylContact C-O 3.47Å; H651-A677 WeakPolarHBondContact CA-O 3.25Å; H651-A677 WeakPolarHBondContact CB-O 3.4Å; F652-A677 HydrophobicContact CB-CB 4.35Å; F652-A677 PolarHBondContact N-O 3.48Å; F652-A677 PolarHBondContact O-N 2.88Å; V654-A677 HydrophobicContact CG2-CB 4Å; A677-F682 HydrophobicContact CB-CB 4.02Å; A677-F682 HydrophobicContact CB-CD2 3.8Å; A677-F682 HydrophobicContact CB-CG 4.19Å
678	Y	95.4	Very high	94.8	Very high	42 Å²	42	46.5 Å²	46.5	17%	0.165	25%	0.248	C	C	.	.	S	Bend	trans	-109.3	15.6	-177.7	-61.7	-86.1	0	0	0	112.7	A425 A426 H651 R676	A425-Y678 HydrophobicContact CB-CD2 4.06Å; A425-Y678 HydrophobicContact CB-CG 3.92Å; A426-Y678 VanDerWaalsContact CA-CE1 3.49Å; A426-Y678 HydrophobicContact CB-CE1 3.83Å; A426-Y678 HydrophobicContact CB-CE2 3.75Å; A426-Y678 WeakPolarHBondContact CB-OH 3.42Å; H651-Y678 HydrophobicContact CB-CD1 3.74Å; H651-Y678 HydrophobicContact CB-CE1 3.57Å; H651-Y678 HydrophobicContact CB-CG 4.49Å; R676-Y678 HydrophobicContact CB-CE2 4.08Å
679	S	95.1	Very high	94.9	Very high	29 Å²	29	43.1 Å²	43.1	20%	0.203	23%	0.226	C	C	.	.	S	Bend	trans	-149.3	173.2	175.6	77.3	0	0	0	0	109.3	W642 Q681	W642-S679 WeakPolarHBondContact CZ2-O 3.25Å; S679-Q681 PolarHBondContact O-N 2.88Å; S679-Q681 VanDerWaalsContact O-N 3.1Å; S679-Q681 WeakPolarHBondContact OG-CG 3.34Å; S679-Q681 PolarHBondContact OG-N 2.89Å; S679-Q681 PolarHBondContact OG-O 3.17Å; S679-Q681 VanDerWaalsContact OG-O 3.1Å
680	N	95.7	Very high	94.9	Very high	38 Å²	38	43.3 Å²	43.3	20%	0.203	22%	0.223	C	C	.	.	S	Bend	trans	-77	16.2	179	-82.3	-1.8	0	0	0	115	R641 W642 Y644 V646 F652	R641-N680 WeakPolarHBondContact CA-O 3.23Å; W642-N680 PolarHBondContact N-O 2.87Å; W642-N680 PolarHBondContact NE1-OD1 2.92Å; W642-N680 WeakPolarHBondContact O-CB 3.33Å; Y644-N680 PolarHBondContact N-ND2 2.78Å; Y644-N680 PolarHBondContact O-ND2 3.16Å; Y644-N680 PolarHBondContact O-OD1 2.85Å; V646-N680 HydrophobicContact CG2-CB 4.42Å; V646-N680 VanDerWaalsContact CG2-OD1 3.25Å; V646-N680 WeakPolarHBondContact CG2-OD1 3.36Å; F652-N680 WeakPolarHBondContact CE2-OD1 3.48Å; F652-N680 WeakPolarHBondContact CZ-OD1 3.12Å
681	Q	96.1	Very high	94.8	Very high	29 Å²	29	38.8 Å²	38.8	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.6	176.6	62.9	-171.9	-10.2	0	0	109.8	P97 F98 L640 R641 S679	P97-Q681 PolarHBondContact O-NE2 3.23Å; F98-Q681 VanDerWaalsContact CA-NE2 3.35Å; F98-Q681 HydrophobicContact CD1-CG 3.97Å; F98-Q681 HydrophobicContact CE1-CB 4.24Å; F98-Q681 HydrophobicContact CE1-CG 3.81Å; F98-Q681 HydrophobicContact CZ-CB 4.49Å; F98-Q681 HydrophobicContact CZ-CG 4.41Å; L640-Q681 CarbonylContact O-C 3.48Å; L640-Q681 WeakPolarHBondContact O-CA 3.47Å; R641-Q681 HydrophobicContact CG-CB 4.13Å; S679-Q681 PolarHBondContact O-N 2.88Å; S679-Q681 VanDerWaalsContact O-N 3.1Å; S679-Q681 WeakPolarHBondContact OG-CG 3.34Å; S679-Q681 PolarHBondContact OG-N 2.89Å; S679-Q681 PolarHBondContact OG-O 3.17Å; S679-Q681 VanDerWaalsContact OG-O 3.1Å
682	F	97.6	Very high	94.7	Very high	17 Å²	17	36.9 Å²	36.9	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	128.9	178.8	-177	-98	0	0	0	110.3	Q136 L640 W642 V654 A675 A677 V684	Q136-F682 HydrophobicContact CB-CE2 4.45Å; L640-F682 WeakPolarHBondContact CA-O 3.42Å; L640-F682 WeakPolarHBondContact CB-O 3.39Å; L640-F682 PolarHBondContact N-O 2.91Å; L640-F682 PolarHBondContact O-N 3.03Å; W642-F682 HydrophobicContact CH2-CB 3.79Å; W642-F682 HydrophobicContact CZ3-CB 3.9Å; V654-F682 HydrophobicContact CB-CD1 4.33Å; V654-F682 HydrophobicContact CG1-CD1 4.02Å; V654-F682 HydrophobicContact CG1-CE1 4.36Å; V654-F682 HydrophobicContact CG2-CB 4.23Å; V654-F682 HydrophobicContact CG2-CD1 4.06Å; V654-F682 HydrophobicContact CG2-CG 4.02Å; A675-F682 HydrophobicContact CB-CE1 4.1Å; A675-F682 HydrophobicContact CB-CE2 3.59Å; A675-F682 HydrophobicContact CB-CZ 3.26Å; A677-F682 HydrophobicContact CB-CB 4.02Å; A677-F682 HydrophobicContact CB-CD2 3.8Å; A677-F682 HydrophobicContact CB-CG 4.19Å; F682-V684 HydrophobicContact CD1-CG2 4.02Å; F682-V684 HydrophobicContact CE1-CG2 4.03Å
683	R	97.4	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.9	171.6	-174.6	153.7	-179.5	83.3	5	109.6	L64 T74 P76 F98 Q136 D616 A638 T639 T685	L64-R683 VanDerWaalsContact CD1-NH2 3.25Å; T74-R683 VanDerWaalsContact CB-NH2 3.31Å; T74-R683 WeakPolarHBondContact O-CD 3.43Å; T74-R683 PolarHBondContact O-NE 2.91Å; T74-R683 PolarHBondContact OG1-NE 3.11Å; T74-R683 PolarHBondContact OG1-NH2 2.87Å; P76-R683 HydrophobicContact CG-CB 4.33Å; F98-R683 HydrophobicContact CE1-CB 4.15Å; F98-R683 HydrophobicContact CE2-CB 4.3Å; F98-R683 HydrophobicContact CZ-CB 3.67Å; Q136-R683 PolarHBondContact NE2-O 3.48Å; D616-R683 PolarHBondContact O-NH1 3.42Å; A638-R683 CarbonylContact O-C 3.59Å; A638-R683 WeakPolarHBondContact O-CA 3.24Å; T639-R683 PolarHBondContact OG1-NH1 2.88Å; R683-T685 HydrophobicContact CG-CG2 4.04Å
684	V	97.1	Very high	94.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126	166	-179.7	0	0	0	0	107.5	N637 A638 L640 L674 F682 L687	N637-V684 CarbonylContact C-O 3.52Å; N637-V684 WeakPolarHBondContact CA-O 3.43Å; A638-V684 PolarHBondContact N-O 2.89Å; A638-V684 PolarHBondContact O-N 2.84Å; L640-V684 HydrophobicContact CD1-CG2 3.85Å; L640-V684 HydrophobicContact CG-CG2 4.13Å; L674-V684 HydrophobicContact CD1-CG1 4.32Å; L674-V684 HydrophobicContact CD1-CG2 4.2Å; F682-V684 HydrophobicContact CD1-CG2 4.02Å; F682-V684 HydrophobicContact CE1-CG2 4.03Å; V684-L687 HydrophobicContact CG1-CB 3.54Å; V684-L687 HydrophobicContact CG1-CD2 3.94Å; V684-L687 HydrophobicContact CG1-CG 4.36Å
685	T	94.3	Very high	94.7	Very high	45 Å²	45	31.6 Å²	31.6	28%	0.276	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.6	178.1	49.8	0	0	0	0	110	E75 R683 L687	E75-T685 HydrophobicContact CB-CG2 4.05Å; E75-T685 HydrophobicContact CG-CG2 4.35Å; R683-T685 HydrophobicContact CG-CG2 4.04Å; T685-L687 PolarHBondContact O-N 3.11Å; T685-L687 VanDerWaalsContact O-N 3.09Å
686	E	92.8	Very high	94.8	Very high	76 Å²	76	30.5 Å²	30.5	36%	0.355	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	31.6	173	-57.7	-158.7	87.9	0	0	115.1	R635 N637 L688	R635-E686 IonicContact CZ-OE1 3.72Å; R635-E686 IonicContact NH1-OE1 3.74Å; R635-E686 PolarHBondContact NH1-OE1 3.08Å; N637-E686 WeakPolarHBondContact OD1-CA 3.47Å; N637-E686 PolarHBondContact OD1-N 3.44Å; E686-L688 PolarHBondContact O-N 3.4Å; E686-L688 VanDerWaalsContact O-N 3.14Å
687	L	94.6	Very high	94.8	Very high	15 Å²	15	29.7 Å²	29.7	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	116.7	178.9	175.7	56.8	0	0	0	109.9	R635 L636 W656 L674 V684 T685 V689 L698	R635-L687 CarbonylContact C-O 3.54Å; R635-L687 WeakPolarHBondContact CA-O 3.39Å; L636-L687 HydrophobicContact CB-CB 4.43Å; L636-L687 PolarHBondContact N-O 2.84Å; L636-L687 WeakPolarHBondContact O-CB 3.32Å; L636-L687 PolarHBondContact O-N 2.78Å; W656-L687 HydrophobicContact CB-CD2 4.27Å; W656-L687 HydrophobicContact CD2-CD1 4.07Å; W656-L687 HydrophobicContact CD2-CD2 3.99Å; W656-L687 HydrophobicContact CD2-CG 4.46Å; W656-L687 HydrophobicContact CE3-CD2 4.23Å; W656-L687 HydrophobicContact CG-CD1 4.24Å; W656-L687 HydrophobicContact CG-CD2 4.01Å; W656-L687 HydrophobicContact CZ2-CD1 4.25Å; L674-L687 HydrophobicContact CD1-CD2 4.14Å; L674-L687 HydrophobicContact CD2-CD1 3.49Å; L674-L687 VanDerWaalsContact CD2-CD1 3.49Å; L674-L687 HydrophobicContact CD2-CD2 4.37Å; L674-L687 HydrophobicContact CD2-CG 4.48Å; V684-L687 HydrophobicContact CG1-CB 3.54Å; V684-L687 HydrophobicContact CG1-CD2 3.94Å; V684-L687 HydrophobicContact CG1-CG 4.36Å; T685-L687 PolarHBondContact O-N 3.11Å; T685-L687 VanDerWaalsContact O-N 3.09Å; L687-V689 HydrophobicContact CD2-CG1 4.12Å; L687-V689 HydrophobicContact CG-CG1 3.83Å; L687-V689 PolarHBondContact O-N 3.4Å; L687-L698 HydrophobicContact CD2-CD2 4.42Å
688	L	94.3	Very high	94.8	Very high	87 Å²	87	29.5 Å²	29.5	46%	0.455	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	120	174.1	-171.1	74.5	0	0	0	109.9	C633 W656 E686	C633-L688 HydrophobicContact CB-CD1 3.39Å; W656-L688 WeakPolarHBondContact CH2-O 3.12Å; E686-L688 PolarHBondContact O-N 3.4Å; E686-L688 VanDerWaalsContact O-N 3.14Å
689	V	93.4	Very high	94.9	Very high	11 Å²	11	27.5 Å²	27.5	7%	0.067	15%	0.152	C	C	.	.			trans	-126.1	158.7	-177.4	-62.1	0	0	0	0	112.3	W619 L634 L636 W656 L687 L696	W619-V689 HydrophobicContact CZ3-CG2 3.84Å; L634-V689 HydrophobicContact CB-CG2 4.29Å; L634-V689 HydrophobicContact CD2-CG2 3.98Å; L634-V689 HydrophobicContact CG-CG2 3.92Å; L634-V689 PolarHBondContact O-N 3.03Å; L634-V689 VanDerWaalsContact O-N 3.09Å; L636-V689 HydrophobicContact CB-CG1 3.95Å; L636-V689 HydrophobicContact CB-CG2 4.32Å; L636-V689 HydrophobicContact CD2-CG1 4.48Å; W656-V689 HydrophobicContact CZ3-CG1 4.23Å; L687-V689 HydrophobicContact CD2-CG1 4.12Å; L687-V689 HydrophobicContact CG-CG1 3.83Å; L687-V689 PolarHBondContact O-N 3.4Å; V689-L696 HydrophobicContact CB-CD2 4.24Å; V689-L696 HydrophobicContact CG1-CD2 3.59Å
690	P	91.8	Very high	95	Very high	29 Å²	29	26.1 Å²	26.1	19%	0.188	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-61.8	154.6	177.1	-21.1	31.8	0	0	0	113.3	R658 Y722	R658-P690 HydrophobicContact CB-CG 4.28Å; R658-P690 HydrophobicContact CG-CG 3.9Å; P690-Y722 WeakPolarHBondContact CD-OH 3.48Å; P690-Y722 WeakPolarHBondContact O-CE2 3.41Å; P690-Y722 PolarHBondContact O-OH 2.82Å
691	E	91.9	Very high	95	Very high	74 Å²	74	24.9 Å²	24.9	35%	0.346	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-61.5	147.9	172.8	-68.4	-64.7	150.8	0	0	111.7	R621 P662 S694	R621-E691 IonicContact CZ-OE1 3.96Å; R621-E691 IonicContact CZ-OE2 3.26Å; R621-E691 IonicContact NH1-OE1 3.99Å; R621-E691 PolarHBondContact NH1-OE1 2.9Å; R621-E691 IonicContact NH1-OE2 3.05Å; R621-E691 PolarHBondContact NH1-OE2 3.35Å; R621-E691 IonicContact NH2-OE1 2.97Å; R621-E691 IonicContact NH2-OE2 2.73Å; R621-E691 PolarHBondContact NH2-OE2 2.73Å; P662-E691 WeakPolarHBondContact CD-O 3.24Å; E691-S694 PolarHBondContact O-OG 2.76Å
692	P	91.9	Very high	94.9	Very high	16 Å²	16	23.6 Å²	23.6	10%	0.104	13%	0.13	C	C	.	.	S	Bend	trans	-69.8	161.4	179.2	31.2	-37.3	0	0	0	112.4	I57 Y722 E724	I57-P692 HydrophobicContact CD1-CB 3.86Å; I57-P692 HydrophobicContact CD1-CG 3.7Å; P692-Y722 HydrophobicContact CB-CD2 4.11Å; P692-Y722 HydrophobicContact CB-CE2 4.32Å; P692-E724 HydrophobicContact CB-CG 4.2Å; P692-E724 HydrophobicContact CG-CG 3.44Å; P692-E724 VanDerWaalsContact CG-CG 3.44Å
693	P	93.9	Very high	94.6	Very high	81 Å²	81	23.9 Å²	23.9	53%	0.526	13%	0.132	S	C	.	.	S	Bend	cis	-72.6	135.8	-12	30.8	-35.8	0	0	0	111	G661 P662 Y722 T723	G661-P693 CarbonylContact C-O 3.44Å; G661-P693 VanDerWaalsContact C-O 3.29Å; P662-P693 WeakPolarHBondContact CD-O 3.34Å; P693-Y722 WeakPolarHBondContact CA-O 3.38Å; P693-T723 HydrophobicContact CB-CG2 4.14Å
694	S	94.6	Very high	94.2	Very high	5 Å²	5	24.2 Å²	24.2	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.4	-175.9	-82.7	0	0	0	0	111.7	R660 G661 P662 E691 S721 Y722	R660-S694 WeakPolarHBondContact O-CA 3.27Å; G661-S694 WeakPolarHBondContact CA-OG 3.37Å; P662-S694 WeakPolarHBondContact CD-OG 3.37Å; E691-S694 PolarHBondContact O-OG 2.76Å; S694-S721 WeakPolarHBondContact O-CA 3.49Å; S694-Y722 WeakPolarHBondContact CB-OH 3.04Å; S694-Y722 PolarHBondContact N-O 2.74Å; S694-Y722 VanDerWaalsContact N-O 3.08Å; S694-Y722 PolarHBondContact O-N 3.15Å
695	V	95.1	Very high	93.5	Very high	13 Å²	13	28.1 Å²	28.1	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.7	173.3	-173.1	0	0	0	0	108.3	L659 R660 Q719 L720 S721	L659-V695 WeakPolarHBondContact CA-O 3.35Å; L659-V695 HydrophobicContact CB-CB 4.42Å; L659-V695 HydrophobicContact CB-CG1 4.33Å; L659-V695 WeakPolarHBondContact CB-O 3.44Å; L659-V695 HydrophobicContact CD1-CG1 4.25Å; L659-V695 PolarHBondContact N-O 2.84Å; R660-V695 HydrophobicContact CB-CB 4.13Å; R660-V695 HydrophobicContact CB-CG2 4.22Å; R660-V695 PolarHBondContact N-O 3.46Å; R660-V695 PolarHBondContact O-N 2.98Å; V695-Q719 HydrophobicContact CG1-CB 4.43Å; V695-L720 WeakPolarHBondContact CA-O 3.21Å; V695-S721 WeakPolarHBondContact CG2-OG 3.49Å
696	L	95.9	Very high	92.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	164.9	171.8	65.3	80.1	0	0	0	110.8	L636 W656 R657 V689 L698 Q719 L720 Y722	L636-L696 HydrophobicContact CD2-CD2 3.93Å; W656-L696 HydrophobicContact CE3-CB 4.26Å; W656-L696 HydrophobicContact CE3-CD2 4.43Å; W656-L696 HydrophobicContact CZ3-CB 4.43Å; R657-L696 WeakPolarHBondContact O-CA 3.35Å; V689-L696 HydrophobicContact CB-CD2 4.24Å; V689-L696 HydrophobicContact CG1-CD2 3.59Å; L696-L698 HydrophobicContact CD1-CD1 4.22Å; L696-L698 HydrophobicContact CD1-CG 3.9Å; L696-Q719 CarbonylContact O-C 3.59Å; L696-Q719 WeakPolarHBondContact O-CA 3.13Å; L696-L720 HydrophobicContact CD1-CB 3.76Å; L696-L720 HydrophobicContact CD1-CD2 4.38Å; L696-L720 HydrophobicContact CG-CB 4.14Å; L696-L720 PolarHBondContact N-O 3.08Å; L696-L720 PolarHBondContact O-N 3.4Å; L696-Y722 HydrophobicContact CD2-CE1 3.86Å; L696-Y722 HydrophobicContact CG-CE1 4.21Å
697	E	95.8	Very high	91.8	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.1	174.7	-167.8	177.2	-140.9	0	0	109.2	W656 R657 L659 L699 R718 Q719	W656-E697 CarbonylContact C-O 3.45Å; W656-E697 WeakPolarHBondContact CA-O 3.31Å; R657-E697 HydrophobicContact CG-CB 4.17Å; R657-E697 IonicContact CZ-OE2 2.71Å; R657-E697 PolarHBondContact N-O 2.86Å; R657-E697 IonicContact NE-OE2 3.62Å; R657-E697 PolarHBondContact NE-OE2 2.96Å; R657-E697 IonicContact NH2-OE1 2.82Å; R657-E697 IonicContact NH2-OE2 3.85Å; R657-E697 PolarHBondContact NH2-OE2 2.93Å; R657-E697 PolarHBondContact O-N 2.93Å; L659-E697 HydrophobicContact CD1-CB 3.85Å; L659-E697 HydrophobicContact CD2-CB 4.22Å; L659-E697 HydrophobicContact CG-CB 3.91Å; E697-L699 HydrophobicContact CB-CD1 4.15Å; E697-L699 HydrophobicContact CG-CD1 3.69Å; E697-L699 HydrophobicContact CG-CG 4.13Å; E697-R718 WeakPolarHBondContact CA-O 3.48Å; E697-Q719 HydrophobicContact CB-CG 4.5Å; E697-Q719 HydrophobicContact CG-CG 4.28Å
698	L	97.1	Very high	91	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.4	171.3	-67.8	165.8	0	0	0	108.3	I614 L640 Y655 W656 L674 L687 L696 R717 R718	I614-L698 HydrophobicContact CD1-CD1 3.93Å; I614-L698 HydrophobicContact CG1-CD1 4.34Å; L640-L698 HydrophobicContact CD1-CB 4.42Å; L640-L698 HydrophobicContact CD1-CD1 4.41Å; L640-L698 HydrophobicContact CD2-CD1 3.76Å; Y655-L698 WeakPolarHBondContact O-CA 3.33Å; W656-L698 HydrophobicContact CB-CD2 3.63Å; L674-L698 HydrophobicContact CD1-CD2 4.01Å; L687-L698 HydrophobicContact CD2-CD2 4.42Å; L696-L698 HydrophobicContact CD1-CD1 4.22Å; L696-L698 HydrophobicContact CD1-CG 3.9Å; L698-R717 WeakPolarHBondContact O-CA 2.97Å; L698-R718 PolarHBondContact N-O 3.22Å; L698-R718 PolarHBondContact O-N 2.81Å
699	L	96.8	Very high	90.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.9	-177.6	-55.9	90	0	0	0	111.8	V654 Y655 L671 E697 W715 G716 R717	V654-L699 WeakPolarHBondContact CA-O 3.45Å; Y655-L699 PolarHBondContact N-O 2.81Å; Y655-L699 PolarHBondContact O-N 2.68Å; L671-L699 HydrophobicContact CD1-CD1 3.71Å; E697-L699 HydrophobicContact CB-CD1 4.15Å; E697-L699 HydrophobicContact CG-CD1 3.69Å; E697-L699 HydrophobicContact CG-CG 4.13Å; L699-W715 HydrophobicContact CB-CE3 4.42Å; L699-W715 HydrophobicContact CD2-CE3 4.39Å; L699-G716 CarbonylContact C-O 3.57Å; L699-G716 WeakPolarHBondContact CA-O 3.42Å; L699-R717 HydrophobicContact CD2-CB 4.34Å; L699-R717 HydrophobicContact CG-CB 4.24Å
700	V	97.2	Very high	89.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	112.8	179	-179.1	0	0	0	0	109.4	L612 W642 F652 R653 W715 G716	L612-V700 HydrophobicContact CD1-CG2 3.79Å; L612-V700 HydrophobicContact CD2-CG2 3.98Å; W642-V700 HydrophobicContact CD2-CG1 3.96Å; W642-V700 HydrophobicContact CD2-CG2 4.25Å; W642-V700 HydrophobicContact CE3-CG1 4.42Å; W642-V700 HydrophobicContact CE3-CG2 3.96Å; W642-V700 HydrophobicContact CG-CG1 4.4Å; W642-V700 HydrophobicContact CH2-CG1 4.37Å; W642-V700 HydrophobicContact CZ2-CG1 3.89Å; W642-V700 HydrophobicContact CZ3-CG2 4.14Å; F652-V700 HydrophobicContact CB-CG1 3.81Å; F652-V700 HydrophobicContact CD1-CG1 3.78Å; F652-V700 HydrophobicContact CG-CG1 4.07Å; R653-V700 WeakPolarHBondContact O-CA 3.24Å; V700-W715 WeakPolarHBondContact O-CA 3.26Å; V700-W715 WeakPolarHBondContact O-CB 3.22Å; V700-G716 PolarHBondContact N-O 3.03Å; V700-G716 PolarHBondContact O-N 3.07Å
701	E	95.3	Very high	89.7	Confident	12 Å²	12	27 Å²	27	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.5	174.4	173	-171.7	-158.4	0	0	109.5	R411 F652 R653 Y655 W715	R411-E701 IonicContact NH2-OE1 2.86Å; F652-E701 CarbonylContact C-O 3.51Å; F652-E701 WeakPolarHBondContact CA-O 3.05Å; R653-E701 HydrophobicContact CB-CB 4.21Å; R653-E701 WeakPolarHBondContact CD-OE2 3.26Å; R653-E701 IonicContact CZ-OE2 2.9Å; R653-E701 PolarHBondContact N-O 2.82Å; R653-E701 IonicContact NE-OE2 3.68Å; R653-E701 IonicContact NH1-OE1 3.23Å; R653-E701 IonicContact NH1-OE2 3.38Å; R653-E701 PolarHBondContact NH1-OE2 2.81Å; R653-E701 PolarHBondContact O-N 3.24Å; Y655-E701 HydrophobicContact CD2-CB 4.4Å; Y655-E701 HydrophobicContact CE2-CB 3.99Å; Y655-E701 WeakPolarHBondContact CE2-OE2 3.45Å; Y655-E701 PolarHBondContact OH-OE2 2.94Å; E701-W715 HydrophobicContact CB-CD2 3.68Å; E701-W715 HydrophobicContact CB-CE3 3.94Å; E701-W715 HydrophobicContact CB-CG 4.22Å; E701-W715 HydrophobicContact CB-CH2 4.05Å; E701-W715 HydrophobicContact CB-CZ2 3.81Å; E701-W715 HydrophobicContact CB-CZ3 4.1Å; E701-W715 HydrophobicContact CG-CD2 4.14Å; E701-W715 HydrophobicContact CG-CH2 4.14Å; E701-W715 HydrophobicContact CG-CZ2 3.53Å; E701-W715 WeakPolarHBondContact OE1-CZ2 3.23Å
702	P	94.3	Very high	89.5	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.5	167.4	3.3	11.4	0	0	0	110.6	V609 Y644 V649 F652 I710	V609-P702 HydrophobicContact CG2-CG 3.45Å; V609-P702 VanDerWaalsContact CG2-CG 3.45Å; Y644-P702 HydrophobicContact CD1-CB 4.36Å; Y644-P702 HydrophobicContact CD2-CG 4.17Å; Y644-P702 HydrophobicContact CE1-CB 3.88Å; Y644-P702 HydrophobicContact CE1-CG 4.43Å; Y644-P702 HydrophobicContact CE2-CB 4.04Å; Y644-P702 HydrophobicContact CE2-CG 3.68Å; V649-P702 HydrophobicContact CG1-CB 3.61Å; F652-P702 HydrophobicContact CD1-CB 4.04Å; F652-P702 HydrophobicContact CE1-CB 3.99Å; P702-I710 HydrophobicContact CB-CD1 3.63Å; P702-I710 HydrophobicContact CG-CD1 3.52Å; P702-I710 WeakPolarHBondContact O-CD1 3.34Å
703	V	91.5	Very high	89.4	Confident	22 Å²	22	30.7 Å²	30.7	13%	0.133	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.3	172.9	-178.2	0	0	0	0	108.9	V649 R650 H651 R653	V649-V703 CarbonylContact C-O 3.51Å; V649-V703 VanDerWaalsContact CA-O 3.27Å; V649-V703 WeakPolarHBondContact CA-O 3.48Å; V649-V703 VanDerWaalsContact CB-O 3.24Å; V649-V703 WeakPolarHBondContact CB-O 3.49Å; R650-V703 PolarHBondContact N-O 2.58Å; H651-V703 WeakPolarHBondContact O-CB 3.46Å; H651-V703 PolarHBondContact O-N 3.08Å; R653-V703 HydrophobicContact CG-CG2 3.74Å
704	T	88.2	Confident	89.3	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	151	-175.7	67.9	0	0	0	0	112.2	P605 G706 G707 S708 I710	P605-T704 HydrophobicContact CG-CG2 3.55Å; T704-G706 VanDerWaalsContact C-N 3.32Å; T704-G706 PolarHBondContact O-N 3.44Å; T704-G707 PolarHBondContact O-N 3.48Å; T704-G707 PolarHBondContact OG1-N 3.44Å; T704-S708 WeakPolarHBondContact CG2-O 2.88Å; T704-S708 PolarHBondContact OG1-N 3.5Å; T704-S708 PolarHBondContact OG1-O 2.71Å; T704-I710 HydrophobicContact CG2-CD1 3.7Å; T704-I710 HydrophobicContact CG2-CG1 3.86Å
705	R	84	Confident	89.3	Confident	86 Å²	86	32.4 Å²	32.4	33%	0.325	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-43.4	176	-72.2	-177.8	71.7	151.1	-0.9	112.4	P396 I398 M595 E647 S648 R650 G707	P396-R705 HydrophobicContact CG-CB 4.06Å; P396-R705 PolarHBondContact O-NH2 2.95Å; P396-R705 VanDerWaalsContact O-NH2 3.11Å; I398-R705 HydrophobicContact CD1-CB 3.6Å; I398-R705 HydrophobicContact CD1-CG 4.43Å; I398-R705 WeakPolarHBondContact CD1-O 3.48Å; M595-R705 WeakPolarHBondContact CE-O 3.26Å; E647-R705 WeakPolarHBondContact O-CD 3.33Å; E647-R705 PolarHBondContact O-NH1 2.72Å; S648-R705 PolarHBondContact O-N 3.22Å; R650-R705 HydrophobicContact CG-CB 4.46Å; R650-R705 HydrophobicContact CG-CG 4.05Å; R650-R705 PolarHBondContact NE-O 2.95Å; R650-R705 VanDerWaalsContact NE-O 3.09Å; R650-R705 PolarHBondContact NH2-O 3.36Å; R705-G707 VanDerWaalsContact C-N 3.26Å; R705-G707 PolarHBondContact O-N 3.22Å
706	G	75.8	Confident	89.2	Confident	14 Å²	14	31.9 Å²	31.9	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.3	179	0	0	0	0	0	115.4	Q542 T704 S708	Q542-G706 PolarHBondContact NE2-O 3.18Å; T704-G706 VanDerWaalsContact C-N 3.32Å; T704-G706 PolarHBondContact O-N 3.44Å; G706-S708 VanDerWaalsContact C-N 3.32Å
707	G	75	Confident	89.2	Confident	23 Å²	23	35 Å²	35	24%	0.237	19%	0.185	C	C	.	.			trans	83.1	2.8	-179	0	0	0	0	0	115.1	T704 R705	T704-G707 PolarHBondContact O-N 3.48Å; T704-G707 PolarHBondContact OG1-N 3.44Å; R705-G707 VanDerWaalsContact C-N 3.26Å; R705-G707 PolarHBondContact O-N 3.22Å
708	S	77.2	Confident	89.1	Confident	15 Å²	15	34.9 Å²	34.9	11%	0.105	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-62.5	135.7	174.2	-55.3	0	0	0	0	112	E545 T704 G706	E545-S708 VanDerWaalsContact OE2-CA 3.3Å; E545-S708 WeakPolarHBondContact OE2-CA 3.25Å; E545-S708 PolarHBondContact OE2-OG 3.37Å; T704-S708 WeakPolarHBondContact CG2-O 2.88Å; T704-S708 PolarHBondContact OG1-N 3.5Å; T704-S708 PolarHBondContact OG1-O 2.71Å; G706-S708 VanDerWaalsContact C-N 3.32Å
709	L	79.5	Confident	89.1	Confident	102 Å²	102	38 Å²	38	53%	0.534	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-77.7	130.4	-179.8	-66.9	171.5	0	0	0	110.4
710	I	84.9	Confident	89	Confident	11 Å²	11	38 Å²	38	6%	0.056	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-95.5	125.7	172.1	-61.8	-179.1	0	0	0	108.1	P605 P702 T704 W714 W715	P605-I710 HydrophobicContact CG-CD1 4.13Å; P702-I710 HydrophobicContact CB-CD1 3.63Å; P702-I710 HydrophobicContact CG-CD1 3.52Å; P702-I710 WeakPolarHBondContact O-CD1 3.34Å; T704-I710 HydrophobicContact CG2-CD1 3.7Å; T704-I710 HydrophobicContact CG2-CG1 3.86Å; I710-W714 HydrophobicContact CG2-CB 3.72Å; I710-W715 PolarHBondContact O-NE1 3.08Å
711	P	87.3	Confident	88.9	Confident	75 Å²	75	38.8 Å²	38.8	49%	0.487	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-54.4	140.7	176.4	-24.8	33.8	0	0	0	111.8	S713 W714 W715	P711-S713 PolarHBondContact O-N 2.83Å; P711-W714 WeakPolarHBondContact O-CB 3.39Å; P711-W714 PolarHBondContact O-N 2.82Å; P711-W715 VanDerWaalsContact O-CD1 3.28Å
712	E	89.2	Confident	88.9	Confident	82 Å²	82	38.3 Å²	38.3	38%	0.383	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-55	-31.3	180	-173.1	-176.9	149.1	0	0	112.4	R657 W714 W715 R717	R657-E712 IonicContact NH1-OE1 2.67Å; E712-W714 PolarHBondContact O-N 2.91Å; E712-W715 HydrophobicContact CB-CD2 4.29Å; E712-W715 HydrophobicContact CG-CD2 4.02Å; E712-W715 HydrophobicContact CG-CE3 3.92Å; E712-W715 HydrophobicContact CG-CZ3 4.27Å; E712-W715 VanDerWaalsContact O-CB 3.31Å; E712-W715 WeakPolarHBondContact O-CB 3.41Å; E712-W715 PolarHBondContact O-N 3.09Å; E712-R717 PolarHBondContact O-NH2 3.06Å
713	S	89.1	Confident	88.9	Confident	86 Å²	86	39.9 Å²	39.9	60%	0.601	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-58.9	-18.1	176.2	53.9	0	0	0	0	114.2	P711	P711-S713 PolarHBondContact O-N 2.83Å
714	W	91	Very high	88.7	Confident	95 Å²	95	47 Å²	47	36%	0.36	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-103.4	-1.1	-179.8	-69.5	23.5	0	0	0	112.9	P605 T606 P608 V609 I710 P711 E712	P605-W714 WeakPolarHBondContact O-CZ3 3.24Å; T606-W714 WeakPolarHBondContact O-CH2 3.4Å; T606-W714 VanDerWaalsContact O-CZ3 3.27Å; T606-W714 WeakPolarHBondContact O-CZ3 3.4Å; P608-W714 WeakPolarHBondContact CA-O 3.18Å; P608-W714 HydrophobicContact CB-CB 4.01Å; P608-W714 HydrophobicContact CB-CG 4.22Å; V609-W714 PolarHBondContact N-O 2.82Å; I710-W714 HydrophobicContact CG2-CB 3.72Å; P711-W714 WeakPolarHBondContact O-CB 3.39Å; P711-W714 PolarHBondContact O-N 2.82Å; E712-W714 PolarHBondContact O-N 2.91Å
715	W	94.4	Very high	88.7	Confident	26 Å²	26	49.1 Å²	49.1	10%	0.098	25%	0.254	C	S	.	.	S	Bend	trans	-72.6	147.6	174.4	-62.3	7.9	0	0	0	110.5	Y655 L671 L699 V700 E701 I710 P711 E712 R717	Y655-W715 HydrophobicContact CD2-CZ3 4.03Å; Y655-W715 HydrophobicContact CE2-CH2 4.11Å; Y655-W715 AromaticContact CE2-CZ3 3.89Å; Y655-W715 HydrophobicContact CE2-CZ3 3.89Å; L671-W715 HydrophobicContact CD2-CH2 4.46Å; L671-W715 HydrophobicContact CD2-CZ3 3.86Å; L699-W715 HydrophobicContact CB-CE3 4.42Å; L699-W715 HydrophobicContact CD2-CE3 4.39Å; V700-W715 WeakPolarHBondContact O-CA 3.26Å; V700-W715 WeakPolarHBondContact O-CB 3.22Å; E701-W715 HydrophobicContact CB-CD2 3.68Å; E701-W715 HydrophobicContact CB-CE3 3.94Å; E701-W715 HydrophobicContact CB-CG 4.22Å; E701-W715 HydrophobicContact CB-CH2 4.05Å; E701-W715 HydrophobicContact CB-CZ2 3.81Å; E701-W715 HydrophobicContact CB-CZ3 4.1Å; E701-W715 HydrophobicContact CG-CD2 4.14Å; E701-W715 HydrophobicContact CG-CH2 4.14Å; E701-W715 HydrophobicContact CG-CZ2 3.53Å; E701-W715 WeakPolarHBondContact OE1-CZ2 3.23Å; I710-W715 PolarHBondContact O-NE1 3.08Å; P711-W715 VanDerWaalsContact O-CD1 3.28Å; E712-W715 HydrophobicContact CB-CD2 4.29Å; E712-W715 HydrophobicContact CG-CD2 4.02Å; E712-W715 HydrophobicContact CG-CE3 3.92Å; E712-W715 HydrophobicContact CG-CZ3 4.27Å; E712-W715 VanDerWaalsContact O-CB 3.31Å; E712-W715 WeakPolarHBondContact O-CB 3.41Å; E712-W715 PolarHBondContact O-N 3.09Å; W715-R717 PolarHBondContact O-N 3.27Å
716	G	94.9	Very high	88.9	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.7	173	0	0	0	0	0	107.8	L612 L699 V700	L612-G716 VanDerWaalsContact CD2-C 3.48Å; L699-G716 CarbonylContact C-O 3.57Å; L699-G716 WeakPolarHBondContact CA-O 3.42Å; V700-G716 PolarHBondContact N-O 3.03Å; V700-G716 PolarHBondContact O-N 3.07Å
717	R	94.3	Very high	89.7	Confident	67 Å²	67	48.9 Å²	48.9	25%	0.253	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.3	-179.2	64.1	-174.6	66.8	-158.5	-5.6	111.5	V49 L698 L699 E712 W715	V49-R717 HydrophobicContact CG1-CG 3.95Å; L698-R717 WeakPolarHBondContact O-CA 2.97Å; L699-R717 HydrophobicContact CD2-CB 4.34Å; L699-R717 HydrophobicContact CG-CB 4.24Å; E712-R717 PolarHBondContact O-NH2 3.06Å; W715-R717 PolarHBondContact O-N 3.27Å
718	R	95.1	Very high	90.5	Very high	6 Å²	6	50.5 Å²	50.5	2%	0.023	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	134.3	175.5	-151.4	64.5	166.3	-154.4	-2.8	111.3	P48 S51 V53 L612 I614 E697 L698	P48-R718 PolarHBondContact O-NH1 3.36Å; S51-R718 PolarHBondContact OG-NH2 2.82Å; V53-R718 HydrophobicContact CG2-CG 4.38Å; L612-R718 HydrophobicContact CD2-CB 4.13Å; L612-R718 HydrophobicContact CG-CB 4.21Å; L612-R718 VanDerWaalsContact O-CD 3.28Å; L612-R718 WeakPolarHBondContact O-CD 3.33Å; L612-R718 PolarHBondContact O-NE 2.84Å; L612-R718 PolarHBondContact O-NH1 2.89Å; I614-R718 HydrophobicContact CD1-CB 3.92Å; I614-R718 HydrophobicContact CD1-CG 3.88Å; I614-R718 HydrophobicContact CG1-CB 4.11Å; I614-R718 HydrophobicContact CG1-CG 3.98Å; E697-R718 WeakPolarHBondContact CA-O 3.48Å; L698-R718 PolarHBondContact N-O 3.22Å; L698-R718 PolarHBondContact O-N 2.81Å
719	Q	95.2	Very high	91.4	Very high	66 Å²	66	52.7 Å²	52.7	31%	0.308	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138	175.6	-65	-175	14.4	0	0	110.7	V53 L659 V695 L696 E697	V53-Q719 PolarHBondContact N-O 3.26Å; L659-Q719 VanDerWaalsContact CD1-CD 3.47Å; L659-Q719 HydrophobicContact CD1-CG 3.74Å; V695-Q719 HydrophobicContact CG1-CB 4.43Å; L696-Q719 CarbonylContact O-C 3.59Å; L696-Q719 WeakPolarHBondContact O-CA 3.13Å; E697-Q719 HydrophobicContact CB-CG 4.5Å; E697-Q719 HydrophobicContact CG-CG 4.28Å
720	L	95.6	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.7	172	-176	67.4	0	0	0	108.6	V53 E55 I614 W619 L636 V695 L696	V53-L720 HydrophobicContact CB-CD1 3.78Å; V53-L720 HydrophobicContact CG1-CD1 3.67Å; E55-L720 HydrophobicContact CB-CD1 4.34Å; E55-L720 HydrophobicContact CG-CD1 3.69Å; I614-L720 HydrophobicContact CD1-CB 4.02Å; W619-L720 HydrophobicContact CZ2-CD2 4.41Å; L636-L720 HydrophobicContact CD1-CD2 4.01Å; L636-L720 HydrophobicContact CD2-CD2 3.59Å; L636-L720 HydrophobicContact CG-CD2 4.49Å; V695-L720 WeakPolarHBondContact CA-O 3.21Å; L696-L720 HydrophobicContact CD1-CB 3.76Å; L696-L720 HydrophobicContact CD1-CD2 4.38Å; L696-L720 HydrophobicContact CG-CB 4.14Å; L696-L720 PolarHBondContact N-O 3.08Å; L696-L720 PolarHBondContact O-N 3.4Å
721	S	94.9	Very high	92.7	Very high	16 Å²	16	52.1 Å²	52.1	11%	0.112	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.5	172.3	-57.9	0	0	0	0	109.1	V53 Y54 E55 S694 V695	V53-S721 PolarHBondContact O-N 2.68Å; Y54-S721 CarbonylContact C-O 3.49Å; Y54-S721 WeakPolarHBondContact CA-O 3.32Å; E55-S721 PolarHBondContact N-O 2.8Å; S694-S721 WeakPolarHBondContact O-CA 3.49Å; V695-S721 WeakPolarHBondContact CG2-OG 3.49Å
722	Y	94.8	Very high	93.1	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147	-178.6	58.2	-88.2	0	0	0	113.6	E55 I57 W619 L634 P690 P692 P693 S694 L696	E55-Y722 WeakPolarHBondContact O-CA 3.29Å; I57-Y722 HydrophobicContact CD1-CD2 3.93Å; I57-Y722 HydrophobicContact CG1-CD2 4.4Å; W619-Y722 AromaticContact CH2-CD1 3.62Å; W619-Y722 HydrophobicContact CH2-CD1 3.62Å; W619-Y722 AromaticContact CH2-CD2 3.65Å; W619-Y722 HydrophobicContact CH2-CD2 3.65Å; W619-Y722 HydrophobicContact CH2-CE1 4.01Å; W619-Y722 HydrophobicContact CH2-CE2 4.02Å; W619-Y722 AromaticContact CH2-CG 3.41Å; W619-Y722 HydrophobicContact CH2-CG 3.41Å; W619-Y722 VanDerWaalsContact CH2-CG 3.41Å; W619-Y722 HydrophobicContact CZ2-CD1 4.2Å; W619-Y722 HydrophobicContact CZ2-CD2 4.26Å; W619-Y722 AromaticContact CZ2-CG 3.79Å; W619-Y722 HydrophobicContact CZ2-CG 3.79Å; W619-Y722 HydrophobicContact CZ3-CD2 4.17Å; W619-Y722 HydrophobicContact CZ3-CE2 4.24Å; W619-Y722 HydrophobicContact CZ3-CG 4.36Å; L634-Y722 HydrophobicContact CD2-CD2 4.37Å; L634-Y722 HydrophobicContact CD2-CE2 3.82Å; P690-Y722 WeakPolarHBondContact CD-OH 3.48Å; P690-Y722 WeakPolarHBondContact O-CE2 3.41Å; P690-Y722 PolarHBondContact O-OH 2.82Å; P692-Y722 HydrophobicContact CB-CD2 4.11Å; P692-Y722 HydrophobicContact CB-CE2 4.32Å; P693-Y722 WeakPolarHBondContact CA-O 3.38Å; S694-Y722 WeakPolarHBondContact CB-OH 3.04Å; S694-Y722 PolarHBondContact N-O 2.74Å; S694-Y722 VanDerWaalsContact N-O 3.08Å; S694-Y722 PolarHBondContact O-N 3.15Å; L696-Y722 HydrophobicContact CD2-CE1 3.86Å; L696-Y722 HydrophobicContact CG-CE1 4.21Å
723	T	94.1	Very high	93.4	Very high	35 Å²	35	47.8 Å²	47.8	22%	0.215	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	167.9	177.9	69.4	0	0	0	0	111	Y54 E55 I57 P693	Y54-T723 HydrophobicContact CE2-CG2 3.9Å; Y54-T723 VanDerWaalsContact OH-CG2 3.24Å; Y54-T723 WeakPolarHBondContact OH-CG2 3.33Å; Y54-T723 PolarHBondContact OH-OG1 2.9Å; E55-T723 PolarHBondContact O-N 3.23Å; E55-T723 VanDerWaalsContact O-N 3.14Å; I57-T723 VanDerWaalsContact CG1-O 3.28Å; I57-T723 WeakPolarHBondContact CG1-O 3.4Å; I57-T723 PolarHBondContact N-O 2.9Å; P693-T723 HydrophobicContact CB-CG2 4.14Å
724	E	87.4	Confident	93.8	Very high	172 Å²	172	44.3 Å²	44.3	80%	0.804	20%	0.2	S	C	*	.			trans	-63.6	0	163.8	-64.5	-167.5	154.4	0	0	112.3	P692	P692-E724 HydrophobicContact CB-CG 4.2Å; P692-E724 HydrophobicContact CG-CG 3.44Å; P692-E724 VanDerWaalsContact CG-CG 3.44Å

Retrieved 724 of 724 residues in 1305.1 ms (Link to these results)

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