A0A3Q0KN16_SCHMA Loading...

Putative leucine-rich repeat-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KN16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 513 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	41.3	Very low	243 Å²	243	150.7 Å²	150.7	100%	1.197	79%	0.785	S	S	*	*				0	144.2	0	-77.7	-178.1	167	0	0	107.9
2	S	36.1	Very low	41.8	Very low	121 Å²	121	150 Å²	150	85%	0.846	78%	0.775	S	S	*	*			trans	84	85.7	177.3	-47.4	0	0	0	0	116.4
3	N	37.3	Very low	42.2	Very low	169 Å²	169	143.9 Å²	143.9	90%	0.904	75%	0.754	S	S	*	*			trans	-160	77.5	146.8	-119.1	3.7	0	0	0	108.4
4	N	40.1	Very low	42.5	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	73%	0.732	S	S	*	*			trans	-146.4	29.4	177.8	-134	19.5	0	0	0	114.2
5	N	41.7	Very low	42.6	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	71%	0.709	S	S	*	*			trans	-109.7	9.2	-179.1	-77.5	14.1	0	0	0	115.4
6	N	43.6	Very low	42.9	Very low	139 Å²	139	130.3 Å²	130.3	74%	0.743	70%	0.696	S	S	*	*	S	Bend	trans	-97.5	15	-179.4	-84.7	14.2	0	0	0	115
7	K	42.3	Very low	42.9	Very low	172 Å²	172	128.5 Å²	128.5	75%	0.748	69%	0.687	S	S	*	*	S	Bend	trans	-103	-16.9	-178.5	-96.2	-175.7	175.6	-179.6	0	115.5
8	E	46.2	Very low	42.7	Very low	167 Å²	167	127.5 Å²	127.5	78%	0.78	68%	0.681	S	S	*	*	S	Bend	trans	-87.8	-35.8	-178.9	-75.4	-178.7	158.8	0	0	112.8	I10 L11	E8-I10 PolarHBondContact O-N 3.43Å; E8-I10 VanDerWaalsContact O-N 3.16Å; E8-L11 PolarHBondContact O-N 3.28Å; E8-L11 VanDerWaalsContact O-N 3.16Å
9	D	48	Very low	42.6	Very low	120 Å²	120	128.5 Å²	128.5	64%	0.642	68%	0.678	S	S	*	*	H	α-helix	trans	-65.3	-22.9	-178.9	-73.3	-15.6	0	0	0	114.5
10	I	45.8	Very low	42.5	Very low	113 Å²	113	130.9 Å²	130.9	58%	0.579	68%	0.678	S	S	*	*	H	α-helix	trans	-80.1	-26.8	179.7	-64	168	0	0	0	111.5	E8 T14	E8-I10 PolarHBondContact O-N 3.43Å; E8-I10 VanDerWaalsContact O-N 3.16Å; I10-T14 PolarHBondContact O-OG1 3.23Å
11	L	41.3	Very low	42.4	Very low	123 Å²	123	130.6 Å²	130.6	64%	0.644	67%	0.673	S	S	*	*	H	α-helix	trans	-78.1	-35.6	-179.4	-75.3	168.2	0	0	0	111.6	E8 T14 A15	E8-L11 PolarHBondContact O-N 3.28Å; E8-L11 VanDerWaalsContact O-N 3.16Å; L11-T14 PolarHBondContact O-N 2.76Å; L11-T14 PolarHBondContact O-OG1 2.58Å; L11-A15 PolarHBondContact O-N 3.19Å
12	E	48.1	Very low	42.6	Very low	142 Å²	142	122.9 Å²	122.9	66%	0.664	64%	0.64	S	S	*	*	H	α-helix	trans	-71.3	-35.9	-178.9	-155.4	160	-154	0	0	112.1	T14 A15 D16	E12-T14 VanDerWaalsContact C-N 3.3Å; E12-T14 PolarHBondContact O-N 3.32Å; E12-A15 PolarHBondContact O-N 3.35Å; E12-D16 PolarHBondContact O-N 3.3Å
13	S	47.1	Very low	42.7	Very low	71 Å²	71	124.8 Å²	124.8	50%	0.497	63%	0.633	S	S	.	*	H	α-helix	trans	-68.2	-28.2	177.1	93.9	0	0	0	0	113.4
14	T	45.8	Very low	42.6	Very low	72 Å²	72	123.5 Å²	123.5	44%	0.442	62%	0.622	S	S	.	*	H	α-helix	trans	-76.5	-32.3	177.4	54.4	0	0	0	0	112.8	I10 L11 E12 L18	I10-T14 PolarHBondContact O-OG1 3.23Å; L11-T14 PolarHBondContact O-N 2.76Å; L11-T14 PolarHBondContact O-OG1 2.58Å; E12-T14 VanDerWaalsContact C-N 3.3Å; E12-T14 PolarHBondContact O-N 3.32Å; T14-L18 PolarHBondContact O-N 2.95Å
15	A	44.6	Very low	42.4	Very low	48 Å²	48	120.7 Å²	120.7	40%	0.397	61%	0.609	S	S	.	*	H	α-helix	trans	-70.5	-36.3	178.5	0	0	0	0	0	112.4	L11 E12 L18 K19	L11-A15 PolarHBondContact O-N 3.19Å; E12-A15 PolarHBondContact O-N 3.35Å; A15-L18 PolarHBondContact O-N 3.33Å; A15-K19 PolarHBondContact O-N 3.32Å
16	D	46.7	Very low	41.9	Very low	94 Å²	94	119.1 Å²	119.1	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-73.1	-32.3	178.3	-86.3	-12.7	0	0	0	113.2	E12 K19 R20	E12-D16 PolarHBondContact O-N 3.3Å; D16-K19 PolarHBondContact O-N 2.86Å; D16-R20 PolarHBondContact O-N 3.19Å; D16-R20 VanDerWaalsContact O-N 3.17Å
17	N	42.9	Very low	41.3	Very low	100 Å²	100	116.5 Å²	116.5	54%	0.535	59%	0.59	S	S	.	*	H	α-helix	trans	-67.1	-40.3	172.9	-90.7	-9.6	0	0	0	112.1	K19 R20 E21	N17-K19 VanDerWaalsContact C-N 3.31Å; N17-K19 PolarHBondContact O-N 2.88Å; N17-R20 PolarHBondContact O-N 2.81Å; N17-R20 VanDerWaalsContact O-N 3.16Å; N17-E21 PolarHBondContact O-N 3.34Å
18	L	39.5	Very low	40.7	Very low	110 Å²	110	113.8 Å²	113.8	58%	0.576	58%	0.581	S	S	*	*	H	α-helix	trans	-65.6	-32.1	176.4	-79.1	159.5	0	0	0	112.7	T14 A15 T22	T14-L18 PolarHBondContact O-N 2.95Å; A15-L18 PolarHBondContact O-N 3.33Å; L18-T22 PolarHBondContact O-N 3.13Å; L18-T22 PolarHBondContact O-OG1 2.72Å
19	K	40.9	Very low	39.9	Very low	146 Å²	146	112.2 Å²	112.2	64%	0.635	57%	0.574	S	S	*	*	H	α-helix	trans	-73.4	-26.9	174.1	-81.2	-178.2	-179.3	171	0	113.4	A15 D16 N17 T22 K23	A15-K19 PolarHBondContact O-N 3.32Å; D16-K19 PolarHBondContact O-N 2.86Å; N17-K19 VanDerWaalsContact C-N 3.31Å; N17-K19 PolarHBondContact O-N 2.88Å; K19-T22 WeakPolarHBondContact CA-OG1 3.5Å; K19-T22 PolarHBondContact O-OG1 3.31Å; K19-K23 PolarHBondContact O-N 3.24Å
20	R	39.7	Very low	39	Very low	176 Å²	176	114.1 Å²	114.1	66%	0.664	58%	0.579	S	S	*	*	H	α-helix	trans	-76.8	-44	174.6	-79.3	-175.9	176.9	154.6	1.4	111.6	D16 N17 T22 K23 E24	D16-R20 PolarHBondContact O-N 3.19Å; D16-R20 VanDerWaalsContact O-N 3.17Å; N17-R20 PolarHBondContact O-N 2.81Å; N17-R20 VanDerWaalsContact O-N 3.16Å; R20-T22 VanDerWaalsContact C-N 3.33Å; R20-T22 PolarHBondContact O-N 2.96Å; R20-K23 PolarHBondContact O-N 2.98Å; R20-K23 VanDerWaalsContact O-N 3.15Å; R20-E24 PolarHBondContact O-N 3.1Å; R20-E24 VanDerWaalsContact O-N 3.12Å
21	E	40.5	Very low	38.1	Very low	125 Å²	125	115.8 Å²	115.8	58%	0.584	59%	0.586	S	S	*	*	H	α-helix	trans	-61.8	-39.3	176.4	-76.1	-178.7	163.3	0	0	112.3	N17 K23 E24 T25	N17-E21 PolarHBondContact O-N 3.34Å; E21-K23 VanDerWaalsContact C-N 3.31Å; E21-K23 PolarHBondContact O-N 3.48Å; E21-E24 PolarHBondContact O-N 3.39Å; E21-T25 PolarHBondContact O-N 2.61Å; E21-T25 VanDerWaalsContact O-N 3.1Å; E21-T25 PolarHBondContact O-OG1 2.77Å
22	T	37.3	Very low	37.6	Very low	81 Å²	81	116.3 Å²	116.3	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-69.8	-24.8	177	42.8	0	0	0	0	114	L18 K19 R20 T25 N26	L18-T22 PolarHBondContact O-N 3.13Å; L18-T22 PolarHBondContact O-OG1 2.72Å; K19-T22 WeakPolarHBondContact CA-OG1 3.5Å; K19-T22 PolarHBondContact O-OG1 3.31Å; R20-T22 VanDerWaalsContact C-N 3.33Å; R20-T22 PolarHBondContact O-N 2.96Å; T22-T25 WeakPolarHBondContact CA-OG1 3.12Å; T22-T25 PolarHBondContact O-OG1 2.81Å; T22-T25 VanDerWaalsContact O-OG1 3.05Å; T22-N26 PolarHBondContact O-N 2.87Å
23	K	37.1	Very low	36.6	Very low	162 Å²	162	113.6 Å²	113.6	70%	0.704	58%	0.58	S	S	*	*	H	α-helix	trans	-74.9	-38.2	171.4	-92.4	-175.2	173.6	-176.6	0	112	K19 R20 E21 N26 V27	K19-K23 PolarHBondContact O-N 3.24Å; R20-K23 PolarHBondContact O-N 2.98Å; R20-K23 VanDerWaalsContact O-N 3.15Å; E21-K23 VanDerWaalsContact C-N 3.31Å; E21-K23 PolarHBondContact O-N 3.48Å; K23-N26 PolarHBondContact O-N 2.71Å; K23-V27 VanDerWaalsContact O-CG2 3.28Å; K23-V27 WeakPolarHBondContact O-CG2 3.46Å; K23-V27 PolarHBondContact O-N 2.76Å
24	E	35.1	Very low	35.6	Very low	142 Å²	142	117.4 Å²	117.4	66%	0.664	60%	0.595	S	S	*	*	H	α-helix	trans	-68.5	-35.5	178.2	-73.7	-179.3	173	0	0	112.1	R20 E21 N26 V27 M28	R20-E24 PolarHBondContact O-N 3.1Å; R20-E24 VanDerWaalsContact O-N 3.12Å; E21-E24 PolarHBondContact O-N 3.39Å; E24-N26 PolarHBondContact O-N 2.76Å; E24-V27 PolarHBondContact O-N 3.07Å; E24-M28 PolarHBondContact O-N 2.91Å
25	T	36.1	Very low	34.7	Very low	85 Å²	85	121.3 Å²	121.3	52%	0.521	61%	0.613	S	S	.	*	H	α-helix	trans	-66.7	-35.2	175	51	0	0	0	0	113.2	E21 T22 M28 H29	E21-T25 PolarHBondContact O-N 2.61Å; E21-T25 VanDerWaalsContact O-N 3.1Å; E21-T25 PolarHBondContact O-OG1 2.77Å; T22-T25 WeakPolarHBondContact CA-OG1 3.12Å; T22-T25 PolarHBondContact O-OG1 2.81Å; T22-T25 VanDerWaalsContact O-OG1 3.05Å; T25-M28 PolarHBondContact O-N 3.5Å; T25-H29 PolarHBondContact O-N 3.02Å
26	N	32.3	Very low	33.7	Very low	114 Å²	114	124.2 Å²	124.2	61%	0.61	63%	0.63	S	S	*	*	H	α-helix	trans	-74.6	-33	178.4	-82.7	1.1	0	0	0	112.9	T22 K23 E24 M28 H29 E30	T22-N26 PolarHBondContact O-N 2.87Å; K23-N26 PolarHBondContact O-N 2.71Å; E24-N26 PolarHBondContact O-N 2.76Å; N26-M28 VanDerWaalsContact C-N 3.28Å; N26-M28 PolarHBondContact O-N 2.87Å; N26-H29 PolarHBondContact O-N 3.33Å; N26-E30 PolarHBondContact O-N 3.15Å
27	V	30.5	Very low	32.6	Very low	83 Å²	83	130.8 Å²	130.8	50%	0.503	65%	0.648	S	S	.	*	H	α-helix	trans	-66.5	-34.2	175.3	176.1	0	0	0	0	110.9	K23 E24 H29 E30 M31	K23-V27 VanDerWaalsContact O-CG2 3.28Å; K23-V27 WeakPolarHBondContact O-CG2 3.46Å; K23-V27 PolarHBondContact O-N 2.76Å; E24-V27 PolarHBondContact O-N 3.07Å; V27-H29 VanDerWaalsContact C-N 3.34Å; V27-H29 PolarHBondContact O-N 3.25Å; V27-E30 PolarHBondContact O-N 3.25Å; V27-M31 PolarHBondContact O-N 3.25Å
28	M	28.8	Very low	31.8	Very low	116 Å²	116	131 Å²	131	57%	0.571	66%	0.657	S	S	*	*	H	α-helix	trans	-67	-32.6	174.2	-74.7	-74	-80.5	0	0	112.5	E24 T25 N26 F32	E24-M28 PolarHBondContact O-N 2.91Å; T25-M28 PolarHBondContact O-N 3.5Å; N26-M28 VanDerWaalsContact C-N 3.28Å; N26-M28 PolarHBondContact O-N 2.87Å; M28-F32 HydrophobicContact CE-CE2 4.29Å; M28-F32 VanDerWaalsContact O-CD2 3.22Å; M28-F32 WeakPolarHBondContact O-CD2 3.21Å
29	H	29.1	Very low	31.1	Very low	134 Å²	134	133.7 Å²	133.7	62%	0.62	67%	0.672	S	S	*	*	H	α-helix	trans	-72.8	-34.5	176.2	-100.7	23.7	0	0	0	113.5	T25 N26 V27 S33	T25-H29 PolarHBondContact O-N 3.02Å; N26-H29 PolarHBondContact O-N 3.33Å; V27-H29 VanDerWaalsContact C-N 3.34Å; V27-H29 PolarHBondContact O-N 3.25Å; H29-S33 PolarHBondContact O-OG 2.89Å; H29-S33 VanDerWaalsContact O-OG 3.08Å
30	E	30.1	Very low	30.3	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	68%	0.68	S	S	*	*	H	α-helix	trans	-71.6	-32	178	-77.9	-173.9	165.7	0	0	112.9	N26 V27 F32	N26-E30 PolarHBondContact O-N 3.15Å; V27-E30 PolarHBondContact O-N 3.25Å; E30-F32 VanDerWaalsContact C-N 3.31Å; E30-F32 PolarHBondContact O-N 2.75Å
31	M	27.3	Very low	29.6	Very low	147 Å²	147	132.2 Å²	132.2	72%	0.724	69%	0.689	S	S	*	*	H	α-helix	trans	-70.6	-19.5	-179.2	-78.2	-166.5	171.5	0	0	115	V27	V27-M31 PolarHBondContact O-N 3.25Å
32	F	30	Very low	29	Very low	135 Å²	135	129.2 Å²	129.2	59%	0.592	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	3.9	-178.2	-68.7	-69.9	0	0	0	114.6	M28 E30	M28-F32 HydrophobicContact CE-CE2 4.29Å; M28-F32 VanDerWaalsContact O-CD2 3.22Å; M28-F32 WeakPolarHBondContact O-CD2 3.21Å; E30-F32 VanDerWaalsContact C-N 3.31Å; E30-F32 PolarHBondContact O-N 2.75Å
33	S	27	Very low	28.4	Very low	85 Å²	85	131.1 Å²	131.1	59%	0.594	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-12.8	-176	-60.4	0	0	0	0	114.8	H29 N35	H29-S33 PolarHBondContact O-OG 2.89Å; H29-S33 VanDerWaalsContact O-OG 3.08Å; S33-N35 PolarHBondContact O-N 3.45Å
34	D	25.8	Very low	28	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	6.1	-171.8	-93.4	-9	0	0	0	116	S36	D34-S36 PolarHBondContact O-N 2.68Å
35	N	26.5	Very low	27.7	Very low	154 Å²	154	127.7 Å²	127.7	82%	0.824	69%	0.692	S	S	*	*			trans	-92.2	23.2	-179.1	-93.5	-2.6	0	0	0	115.5	S33 R37	S33-N35 PolarHBondContact O-N 3.45Å; N35-R37 VanDerWaalsContact C-N 3.31Å; N35-R37 PolarHBondContact O-N 3Å
36	S	25	Very low	27.4	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	70%	0.7	S	S	*	*			trans	-89.5	49.8	173.1	73.9	0	0	0	0	113.1	D34	D34-S36 PolarHBondContact O-N 2.68Å
37	R	22.5	Very low	27.2	Very low	231 Å²	231	129.1 Å²	129.1	87%	0.872	70%	0.697	S	S	*	*			trans	-150.9	86.1	168.9	-75.1	-167.2	177.6	161.1	1.3	112.2	N35	N35-R37 VanDerWaalsContact C-N 3.31Å; N35-R37 PolarHBondContact O-N 3Å
38	S	26.6	Very low	27.4	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	71%	0.707	S	S	*	*			trans	156.7	77.8	134.6	63.8	0	0	0	0	110.9	Q40	S38-Q40 PolarHBondContact O-N 2.95Å
39	N	25.4	Very low	27.7	Very low	166 Å²	166	130.8 Å²	130.8	89%	0.888	70%	0.7	S	S	*	*			trans	-73.2	73.2	156.9	-80.4	-13	0	0	0	107.9
40	Q	24	Very low	27.5	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	71%	0.708	S	S	*	*			trans	-88.2	117.8	162.4	-79.3	-167.1	-8.5	0	0	107.6	S38 S42	S38-Q40 PolarHBondContact O-N 2.95Å; Q40-S42 VanDerWaalsContact C-N 3.28Å; Q40-S42 PolarHBondContact O-N 2.74Å
41	S	24.9	Very low	27.5	Very low	121 Å²	121	131.9 Å²	131.9	85%	0.846	71%	0.705	S	S	*	*			trans	-52.4	86.6	171.5	53.6	0	0	0	0	110.5	S43	S41-S43 PolarHBondContact O-N 3.21Å; S41-S43 VanDerWaalsContact O-N 3.15Å
42	S	27.2	Very low	27.6	Very low	61 Å²	61	130.7 Å²	130.7	43%	0.427	71%	0.706	S	S	.	*			trans	-76.2	101	171.3	61.6	0	0	0	0	107.7	Q40 L44	Q40-S42 VanDerWaalsContact C-N 3.28Å; Q40-S42 PolarHBondContact O-N 2.74Å; S42-L44 VanDerWaalsContact C-N 3.32Å; S42-L44 PolarHBondContact O-N 3.45Å; S42-L44 WeakPolarHBondContact OG-CD1 3.36Å
43	S	25.8	Very low	27.7	Very low	121 Å²	121	129.6 Å²	129.6	85%	0.846	72%	0.715	S	S	*	*			trans	-58.1	96.6	160.9	56.3	0	0	0	0	107.8	S41	S41-S43 PolarHBondContact O-N 3.21Å; S41-S43 VanDerWaalsContact O-N 3.15Å
44	L	28.2	Very low	28	Very low	108 Å²	108	131.1 Å²	131.1	57%	0.565	73%	0.726	S	S	*	*			trans	-107.6	136	-177.1	-78	165.6	0	0	0	110	S42 E46 I119	S42-L44 VanDerWaalsContact C-N 3.32Å; S42-L44 PolarHBondContact O-N 3.45Å; S42-L44 WeakPolarHBondContact OG-CD1 3.36Å; L44-E46 PolarHBondContact O-N 3.02Å; L44-I119 HydrophobicContact CD1-CD1 4.17Å
45	N	29.5	Very low	28.3	Very low	125 Å²	125	131.1 Å²	131.1	67%	0.668	73%	0.726	S	S	*	*			trans	-61.7	124.8	-159.6	-68.9	-39	0	0	0	113.8	S47 E48	N45-S47 WeakPolarHBondContact CB-OG 3.36Å; N45-S47 PolarHBondContact O-N 2.9Å; N45-E48 PolarHBondContact O-N 3.32Å
46	E	28.4	Very low	28.7	Very low	149 Å²	149	130.1 Å²	130.1	70%	0.696	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-53.9	-9.3	168.6	-72.1	-177.4	160.5	0	0	114.4	L44 E48 L49	L44-E46 PolarHBondContact O-N 3.02Å; E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 3.48Å; E46-L49 PolarHBondContact O-N 2.9Å
47	S	29.7	Very low	29.3	Very low	79 Å²	79	126.8 Å²	126.8	55%	0.552	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-66.5	-28.6	-178.3	54.5	0	0	0	0	113.6	N45 L49 R50	N45-S47 WeakPolarHBondContact CB-OG 3.36Å; N45-S47 PolarHBondContact O-N 2.9Å; S47-L49 PolarHBondContact O-N 3.21Å; S47-R50 PolarHBondContact O-N 2.87Å
48	E	33.8	Very low	30.6	Very low	154 Å²	154	122.1 Å²	122.1	72%	0.72	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-76.9	-12.4	176.7	-70.2	-175.9	174.2	0	0	112.9	N45 E46	N45-E48 PolarHBondContact O-N 3.32Å; E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 3.48Å
49	L	35.5	Very low	31.8	Very low	81 Å²	81	119.2 Å²	119.2	42%	0.424	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-90.8	-0.3	176.3	-67	167.6	0	0	0	113	E46 S47 T51 I59	E46-L49 PolarHBondContact O-N 2.9Å; S47-L49 PolarHBondContact O-N 3.21Å; L49-T51 PolarHBondContact O-N 2.89Å; L49-I59 HydrophobicContact CD1-CD1 4.03Å; L49-I59 HydrophobicContact CD2-CD1 3.73Å
50	R	25.4	Very low	33.4	Very low	204 Å²	204	114.3 Å²	114.3	77%	0.77	65%	0.646	S	S	*	*			trans	-90.3	70.3	179.5	-67	-173	179.4	-168.5	0.2	112	S47	S47-R50 PolarHBondContact O-N 2.87Å
51	T	29.9	Very low	35.1	Very low	112 Å²	112	110.9 Å²	110.9	69%	0.687	63%	0.628	S	S	*	*			trans	-90.3	105.8	161.2	54	0	0	0	0	109.8	L49	L49-T51 PolarHBondContact O-N 2.89Å
52	T	28.7	Very low	36.9	Very low	122 Å²	122	107.9 Å²	107.9	75%	0.748	61%	0.607	S	S	*	*	S	Bend	trans	47	105.9	161.1	59.9	0	0	0	0	118.4
53	S	32.3	Very low	38.1	Very low	113 Å²	113	110.6 Å²	110.6	79%	0.79	61%	0.613	S	S	*	*	S	Bend	trans	37.4	100.2	155	54.8	0	0	0	0	117.8
54	S	32.8	Very low	39	Very low	116 Å²	116	107.9 Å²	107.9	81%	0.811	59%	0.594	S	S	*	*	S	Bend	trans	96.1	12.5	148.9	-49.9	0	0	0	0	120.7
55	N	32.5	Very low	39.2	Very low	151 Å²	151	109.7 Å²	109.7	81%	0.807	61%	0.605	S	S	*	*			trans	-126	107.8	165.2	-83.2	-12	0	0	0	111.1	V57	N55-V57 PolarHBondContact O-N 3.33Å
56	T	34.4	Very low	39.3	Very low	134 Å²	134	108.7 Å²	108.7	82%	0.822	61%	0.608	S	S	*	*			trans	-67.1	110.6	163.7	-58.4	0	0	0	0	107.7	I58	T56-I58 PolarHBondContact O-N 3.37Å
57	V	38.5	Very low	39.2	Very low	39 Å²	39	107.9 Å²	107.9	24%	0.236	61%	0.613	C	S	.	*			trans	-76.1	112.5	176	173.1	0	0	0	0	108.6	N55 I59 Q111 F113	N55-V57 PolarHBondContact O-N 3.33Å; V57-I59 HydrophobicContact CG1-CG1 4Å; V57-I59 PolarHBondContact O-N 3.03Å; V57-Q111 HydrophobicContact CG1-CB 4.42Å; V57-Q111 HydrophobicContact CG1-CG 4Å; V57-F113 HydrophobicContact CG1-CZ 4Å
58	I	48.4	Very low	39.1	Very low	133 Å²	133	109.6 Å²	109.6	68%	0.682	63%	0.625	S	S	*	*			trans	-81	108	175.2	-62	173.8	0	0	0	107.5	T56	T56-I58 PolarHBondContact O-N 3.37Å
59	I	52.5	Low	38.8	Very low	44 Å²	44	108.3 Å²	108.3	23%	0.226	63%	0.633	C	S	.	*			trans	-92.8	111.5	173.6	-56.1	171.1	0	0	0	107.2	L49 V57 F61 F108	L49-I59 HydrophobicContact CD1-CD1 4.03Å; L49-I59 HydrophobicContact CD2-CD1 3.73Å; V57-I59 HydrophobicContact CG1-CG1 4Å; V57-I59 PolarHBondContact O-N 3.03Å; I59-F61 HydrophobicContact CB-CE2 4.41Å; I59-F61 HydrophobicContact CG2-CD2 3.99Å; I59-F61 HydrophobicContact CG2-CE2 3.33Å; I59-F61 HydrophobicContact CG2-CZ 3.64Å; I59-F108 HydrophobicContact CB-CE1 4.13Å; I59-F108 HydrophobicContact CB-CZ 4.41Å; I59-F108 HydrophobicContact CD1-CE1 3.67Å; I59-F108 HydrophobicContact CD1-CZ 4.29Å; I59-F108 HydrophobicContact CG1-CD1 4.24Å; I59-F108 HydrophobicContact CG1-CE1 3.59Å; I59-F108 HydrophobicContact CG1-CZ 4.3Å; I59-F108 HydrophobicContact CG2-CD1 4.31Å; I59-F108 HydrophobicContact CG2-CE1 3.46Å; I59-F108 VanDerWaalsContact CG2-CE1 3.46Å; I59-F108 HydrophobicContact CG2-CE2 4.05Å; I59-F108 HydrophobicContact CG2-CZ 3.29Å
60	S	58.6	Low	38.4	Very low	62 Å²	62	110 Å²	110	43%	0.434	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	122.7	176.2	61.5	0	0	0	0	110	D107	S60-D107 PolarHBondContact O-N 3.23Å
61	F	61.4	Low	38.6	Very low	99 Å²	99	105.5 Å²	105.5	43%	0.434	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	115.6	163.1	-63	-80.2	0	0	0	106.2	I59 I105 A106 F108 I126	I59-F61 HydrophobicContact CB-CE2 4.41Å; I59-F61 HydrophobicContact CG2-CD2 3.99Å; I59-F61 HydrophobicContact CG2-CE2 3.33Å; I59-F61 HydrophobicContact CG2-CZ 3.64Å; F61-I105 WeakPolarHBondContact CA-O 3.37Å; F61-A106 HydrophobicContact CD1-CB 3.9Å; F61-A106 HydrophobicContact CE1-CB 3.74Å; F61-F108 HydrophobicContact CE1-CE2 4.47Å; F61-F108 HydrophobicContact CZ-CE2 4.41Å; F61-F108 HydrophobicContact CZ-CZ 4.14Å; F61-I126 HydrophobicContact CE1-CD1 4.04Å
62	S	62.1	Low	38.7	Very low	58 Å²	58	108.2 Å²	108.2	41%	0.406	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.7	133	171.5	58.4	0	0	0	0	108.8	I105	S62-I105 PolarHBondContact N-O 3.1Å; S62-I105 PolarHBondContact O-N 2.88Å
63	E	51.1	Low	38.6	Very low	118 Å²	118	114 Å²	114	55%	0.551	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.6	138.1	158.3	-69.7	-176.7	167	0	0	107.3	D65 Q104	E63-D65 PolarHBondContact O-N 2.79Å; E63-Q104 HydrophobicContact CG-CG 4.16Å; E63-Q104 PolarHBondContact OE1-NE2 3.08Å
64	S	44.7	Very low	38.5	Very low	64 Å²	64	112.3 Å²	112.3	45%	0.448	67%	0.67	S	S	.	*			trans	-65	87.2	172.3	59.6	0	0	0	0	109.4	S66 N103	S64-S66 PolarHBondContact O-N 2.9Å; S64-N103 PolarHBondContact N-O 2.91Å
65	D	34.2	Very low	38.4	Very low	147 Å²	147	114.6 Å²	114.6	79%	0.786	67%	0.673	S	S	*	*			trans	-69.5	120.3	167	-87.9	-20.5	0	0	0	108.2	E63 T67	E63-D65 PolarHBondContact O-N 2.79Å; D65-T67 PolarHBondContact O-N 3.41Å
66	S	30.2	Very low	38.7	Very low	104 Å²	104	113 Å²	113	73%	0.727	67%	0.671	S	S	*	*			trans	-55.1	110.2	169.5	53.7	0	0	0	0	109.3	S64	S64-S66 PolarHBondContact O-N 2.9Å
67	T	26.4	Very low	38.7	Very low	131 Å²	131	112.1 Å²	112.1	80%	0.804	67%	0.67	S	S	*	*			trans	57	106.1	158.7	63.8	0	0	0	0	117.1	D65	D65-T67 PolarHBondContact O-N 3.41Å
68	S	28.3	Very low	38.1	Very low	116 Å²	116	118.5 Å²	118.5	81%	0.811	70%	0.703	S	S	*	*				-156.7	118.3	124.1	56.1	0	0	0	0	110.7	S70	S68-S70 PolarHBondContact O-N 3.03Å
69	S	26.6	Very low	37.2	Very low	126 Å²	126	115.8 Å²	115.8	88%	0.881	71%	0.708	S	S	*	*			trans	-57.6	120.1	172.2	51.3	0	0	0	0	110.6
70	S	28.7	Very low	35.9	Very low	116 Å²	116	121.2 Å²	121.2	81%	0.811	74%	0.737	S	S	*	*			trans	-126.1	114.2	155	73.8	0	0	0	0	109.5	S68 N72	S68-S70 PolarHBondContact O-N 3.03Å; S70-N72 PolarHBondContact O-N 3.05Å
71	S	28.2	Very low	34.6	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	76%	0.757	S	S	*	*			trans	-65.9	119.3	176.8	51.8	0	0	0	0	110
72	N	31.7	Very low	33.3	Very low	170 Å²	170	125.9 Å²	125.9	91%	0.909	77%	0.769	S	S	*	*			trans	-112.3	112.7	165.3	-127.9	3.4	0	0	0	109.2	S70	S70-N72 PolarHBondContact O-N 3.05Å
73	R	28.3	Very low	31.9	Very low	244 Å²	244	128.2 Å²	128.2	92%	0.921	78%	0.777	S	S	*	*			trans	-83.7	124	173.8	-71	177.8	173.1	175.5	-2.8	107.9
74	G	30.1	Very low	31.3	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	78%	0.783	S	S	*	*			trans	-134.6	126.1	169.4	0	0	0	0	0	109.3
75	D	29.9	Very low	30.8	Very low	164 Å²	164	131.2 Å²	131.2	88%	0.877	79%	0.791	S	S	*	*			trans	-62.9	158.7	-170.1	-120	-16.6	0	0	0	115
76	P	39.6	Very low	30.8	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	78%	0.782	S	S	*	*			trans	-88.8	132.5	-176.6	34.1	-27	0	0	0	111.6
77	S	32.6	Very low	31.1	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	77%	0.766	S	S	*	*			trans	-113.3	122.1	169.3	57.6	0	0	0	0	110.3
78	D	27.2	Very low	31.6	Very low	173 Å²	173	125.6 Å²	125.6	93%	0.925	76%	0.757	S	S	*	*			trans	-51.7	141.2	177.1	-63.2	-57.1	0	0	0	113.8
79	G	28.1	Very low	32.2	Very low	75 Å²	75	121.5 Å²	121.5	77%	0.773	73%	0.728	S	S	*	*			trans	178.1	105.1	171.2	0	0	0	0	0	112.2
80	D	26.8	Very low	32.8	Very low	159 Å²	159	118.8 Å²	118.8	85%	0.85	71%	0.709	S	S	*	*			trans	-50.8	156.8	-179.6	-89.1	-44.9	0	0	0	116.3
81	D	31.1	Very low	33.4	Very low	160 Å²	160	118.4 Å²	118.4	86%	0.856	70%	0.698	S	S	*	*			trans	67.2	65.7	161.9	-72.9	-24.6	0	0	0	118.2
82	S	32.7	Very low	34	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	69%	0.689	S	S	*	*			trans	-150.1	83.5	141.2	49.3	0	0	0	0	110.2	E84	S82-E84 PolarHBondContact O-N 2.9Å
83	D	33.9	Very low	34.7	Very low	107 Å²	107	111.5 Å²	111.5	57%	0.572	65%	0.652	S	S	*	*			trans	-71.7	47.9	164	-121.2	24.9	0	0	0	109.7	T85 R407 K430	D83-T85 VanDerWaalsContact C-N 3.3Å; D83-T85 PolarHBondContact O-N 3.43Å; D83-R407 PolarHBondContact O-NH2 2.75Å; D83-K430 IonicContact OD2-NZ 3.19Å; D83-K430 PolarHBondContact OD2-NZ 3.1Å
84	E	37.2	Very low	35.5	Very low	143 Å²	143	105.6 Å²	105.6	67%	0.668	64%	0.635	S	S	*	*			trans	-84.9	81.7	157.1	-69.3	-167.7	167.5	0	0	105.2	S82 D86	S82-E84 PolarHBondContact O-N 2.9Å; E84-D86 PolarHBondContact O-N 3.42Å
85	T	34.5	Very low	36.2	Very low	102 Å²	102	110.6 Å²	110.6	63%	0.626	64%	0.638	S	S	*	*			trans	-64.3	93.1	157	54.9	0	0	0	0	105	D83 S87	D83-T85 VanDerWaalsContact C-N 3.3Å; D83-T85 PolarHBondContact O-N 3.43Å; T85-S87 PolarHBondContact O-N 3.43Å
86	D	35.1	Very low	37	Very low	111 Å²	111	108.4 Å²	108.4	59%	0.594	62%	0.622	S	S	*	*			trans	-65	65.2	159	-160.5	27.6	0	0	0	106.1	E84 T88	E84-D86 PolarHBondContact O-N 3.42Å; D86-T88 PolarHBondContact O-N 3.43Å
87	S	35.7	Very low	37	Very low	56 Å²	56	110.6 Å²	110.6	39%	0.392	63%	0.627	S	S	.	*			trans	-70.6	75.9	161.8	60.8	0	0	0	0	104.4	T85 S89	T85-S87 PolarHBondContact O-N 3.43Å; S87-S89 PolarHBondContact O-N 2.95Å
88	T	37	Very low	37.8	Very low	98 Å²	98	109.8 Å²	109.8	60%	0.601	61%	0.611	S	S	*	*			trans	-55	85.9	146.8	46.8	0	0	0	0	104.5	D86 S90	D86-T88 PolarHBondContact O-N 3.43Å; T88-S90 PolarHBondContact O-N 3.4Å; T88-S90 VanDerWaalsContact O-N 3.07Å
89	S	40.6	Very low	38.5	Very low	30 Å²	30	105.3 Å²	105.3	21%	0.21	59%	0.593	C	S	.	*			trans	-49.1	122.2	166.9	53.4	0	0	0	0	105.6	S87 D91 H316	S87-S89 PolarHBondContact O-N 2.95Å; S89-D91 PolarHBondContact O-N 2.89Å; S89-H316 PolarHBondContact OG-CE1 3.09Å; S89-H316 VanDerWaalsContact OG-CE1 3.25Å; S89-H316 PolarHBondContact OG-NE2 3Å; S89-H316 VanDerWaalsContact OG-NE2 3.09Å
90	S	40.3	Very low	39.2	Very low	68 Å²	68	107 Å²	107	48%	0.476	60%	0.599	S	S	.	*			trans	-15.9	116.9	-176.9	54.9	0	0	0	0	113.6	T88 D92	T88-S90 PolarHBondContact O-N 3.4Å; T88-S90 VanDerWaalsContact O-N 3.07Å; S90-D92 VanDerWaalsContact CB-CG 3.43Å; S90-D92 WeakPolarHBondContact CB-OD2 3.23Å; S90-D92 PolarHBondContact O-N 3.47Å; S90-D92 PolarHBondContact OG-OD2 2.9Å
91	D	41.2	Very low	40.4	Very low	109 Å²	109	105.9 Å²	105.9	58%	0.583	59%	0.589	S	S	*	*			trans	-63.8	47.7	159.9	-92.1	-50.7	0	0	0	110	S89 D93 K245	S89-D91 PolarHBondContact O-N 2.89Å; D91-D93 PolarHBondContact O-N 3.23Å; D91-K245 IonicContact OD1-NZ 3.73Å; D91-K245 PolarHBondContact OD1-NZ 2.78Å
92	D	40.9	Very low	41.6	Very low	111 Å²	111	101.2 Å²	101.2	59%	0.594	57%	0.569	S	S	*	*			trans	-70.1	21.3	170.3	-72.1	-28.7	0	0	0	111.8	S90 E94	S90-D92 VanDerWaalsContact CB-CG 3.43Å; S90-D92 WeakPolarHBondContact CB-OD2 3.23Å; S90-D92 PolarHBondContact O-N 3.47Å; S90-D92 PolarHBondContact OG-OD2 2.9Å; D92-E94 PolarHBondContact O-N 2.85Å
93	D	46.3	Very low	43.2	Very low	23 Å²	23	96.9 Å²	96.9	12%	0.123	54%	0.538	C	S	.	.	S	Bend	trans	-75.6	79.4	153.4	-79.2	-24	0	0	0	106.7	D91 E95 R290	D91-D93 PolarHBondContact O-N 3.23Å; D93-E95 PolarHBondContact O-N 3.04Å; D93-R290 WeakPolarHBondContact OD1-CD 3.24Å; D93-R290 IonicContact OD1-CZ 2.74Å; D93-R290 IonicContact OD1-NE 3.92Å; D93-R290 IonicContact OD1-NH1 3.52Å; D93-R290 PolarHBondContact OD1-NH1 3.48Å
94	E	44.6	Very low	45.6	Very low	120 Å²	120	93.6 Å²	93.6	56%	0.561	52%	0.519	S	S	*	.			trans	5	106.2	149	-68.3	162.6	157.1	0	0	109.6	D92 E96 R290	D92-E94 PolarHBondContact O-N 2.85Å; E94-E96 PolarHBondContact O-N 3.15Å; E94-R290 IonicContact OE2-CZ 2.79Å; E94-R290 IonicContact OE2-NH1 3.93Å; E94-R290 PolarHBondContact OE2-NH1 3.1Å; E94-R290 VanDerWaalsContact OE2-NH1 3.14Å; E94-R290 IonicContact OE2-NH2 3.84Å; E94-R290 PolarHBondContact OE2-NH2 2.84Å
95	E	44.7	Very low	48.1	Very low	183 Å²	183	89.4 Å²	89.4	86%	0.855	50%	0.501	S	S	*	.			trans	-51.2	85.1	162.2	-69	-173.4	167.2	0	0	106.8	D93 D97	D93-E95 PolarHBondContact O-N 3.04Å; E95-D97 VanDerWaalsContact C-N 3.3Å; E95-D97 PolarHBondContact O-N 3.12Å
96	E	46.7	Very low	50.8	Low	118 Å²	118	84.5 Å²	84.5	55%	0.551	47%	0.471	S	S	*	.			trans	-68.4	97.2	175.8	-87.3	-178.8	-175.3	0	0	104.8	E94 E98 R267	E94-E96 PolarHBondContact O-N 3.15Å; E96-E98 PolarHBondContact O-N 3.39Å; E96-E98 VanDerWaalsContact O-N 3.14Å; E96-R267 VanDerWaalsContact CD-NH2 3.28Å; E96-R267 IonicContact OE1-CZ 3.65Å; E96-R267 IonicContact OE1-NH1 3.63Å; E96-R267 PolarHBondContact OE1-NH1 2.81Å; E96-R267 IonicContact OE1-NH2 3.53Å; E96-R267 PolarHBondContact OE1-NH2 2.98Å; E96-R267 IonicContact OE2-CZ 3.88Å; E96-R267 IonicContact OE2-NH1 2.93Å; E96-R267 IonicContact OE2-NH2 3.62Å; E96-R267 PolarHBondContact OE2-NH2 2.61Å
97	D	40.1	Very low	53.5	Low	161 Å²	161	81.8 Å²	81.8	86%	0.861	46%	0.456	S	S	*	.			trans	23.5	79	167.6	-80.2	-37.9	0	0	0	111.9	E95 S99	E95-D97 VanDerWaalsContact C-N 3.3Å; E95-D97 PolarHBondContact O-N 3.12Å; D97-S99 PolarHBondContact O-N 3.09Å
98	E	48.4	Very low	56.2	Low	100 Å²	100	79.1 Å²	79.1	47%	0.467	44%	0.438	S	S	.	.			trans	-59.3	89.6	159.3	-75.4	-169.1	167	0	0	105.4	E96 A100 N103 K128	E96-E98 PolarHBondContact O-N 3.39Å; E96-E98 VanDerWaalsContact O-N 3.14Å; E98-A100 PolarHBondContact O-N 3.22Å; E98-N103 PolarHBondContact OE2-ND2 3.36Å; E98-K128 IonicContact OE1-NZ 2.88Å; E98-K128 PolarHBondContact OE1-NZ 3.23Å; E98-K128 IonicContact OE2-NZ 2.84Å
99	S	43.9	Very low	58.8	Low	80 Å²	80	76 Å²	76	56%	0.559	42%	0.42	S	S	*	.			trans	-47.3	128.9	170.4	55.7	0	0	0	0	106.3	D97 Q101	D97-S99 PolarHBondContact O-N 3.09Å; S99-Q101 PolarHBondContact O-N 3.01Å
100	A	42.7	Very low	61.3	Low	109 Å²	109	77 Å²	77	90%	0.901	44%	0.436	S	S	*	.	S	Bend	trans	-61.6	35	-168	0	0	0	0	0	116.2	E98 S102	E98-A100 PolarHBondContact O-N 3.22Å; A100-S102 PolarHBondContact O-N 2.84Å
101	Q	51.3	Low	63.7	Low	137 Å²	137	77.3 Å²	77.3	64%	0.64	43%	0.429	S	S	*	.	S	Bend	trans	-59.9	116.9	156	-114.9	90.7	17	0	0	107.4	S99 N103	S99-Q101 PolarHBondContact O-N 3.01Å; Q101-N103 PolarHBondContact O-N 2.82Å
102	S	54.9	Low	66	Low	62 Å²	62	73.8 Å²	73.8	43%	0.434	42%	0.419	S	S	.	.			trans	-32.2	105.4	166.4	165.1	0	0	0	0	110.8	A100 Q104	A100-S102 PolarHBondContact O-N 2.84Å; S102-Q104 PolarHBondContact O-N 3.14Å; S102-Q104 VanDerWaalsContact O-N 3.16Å
103	N	68	Low	68.4	Low	6 Å²	6	70 Å²	70	3%	0.032	40%	0.397	C	S	.	.			trans	-80.8	97.9	175.3	-85.3	-28.9	0	0	0	107.6	S64 E98 Q101 I105 T127	S64-N103 PolarHBondContact N-O 2.91Å; E98-N103 PolarHBondContact OE2-ND2 3.36Å; Q101-N103 PolarHBondContact O-N 2.82Å; N103-I105 PolarHBondContact O-N 3.15Å; N103-T127 WeakPolarHBondContact CA-OG1 3.49Å; N103-T127 PolarHBondContact OD1-OG1 3.21Å
104	Q	83.7	Confident	70.5	Confident	39 Å²	39	73 Å²	73	18%	0.182	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.5	168.9	-68.5	-171.4	7.1	0	0	108.8	E63 S102 T125 I126 T127 K128	E63-Q104 HydrophobicContact CG-CG 4.16Å; E63-Q104 PolarHBondContact OE1-NE2 3.08Å; S102-Q104 PolarHBondContact O-N 3.14Å; S102-Q104 VanDerWaalsContact O-N 3.16Å; Q104-T125 PolarHBondContact OE1-OG1 3.28Å; Q104-I126 WeakPolarHBondContact O-CA 3.39Å; Q104-T127 PolarHBondContact O-N 3.24Å; Q104-K128 PolarHBondContact O-N 2.91Å
105	I	89.2	Confident	72.7	Confident	54 Å²	54	70 Å²	70	28%	0.277	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.9	178.3	-52.3	177.8	0	0	0	107.5	F61 S62 N103 K128	F61-I105 WeakPolarHBondContact CA-O 3.37Å; S62-I105 PolarHBondContact N-O 3.1Å; S62-I105 PolarHBondContact O-N 2.88Å; N103-I105 PolarHBondContact O-N 3.15Å; I105-K128 WeakPolarHBondContact CA-O 3.26Å; I105-K128 HydrophobicContact CB-CB 4.44Å; I105-K128 HydrophobicContact CD1-CD 4.39Å; I105-K128 HydrophobicContact CG1-CB 4.14Å; I105-K128 HydrophobicContact CG1-CD 4.27Å; I105-K128 HydrophobicContact CG1-CG 4.41Å; I105-K128 HydrophobicContact CG2-CB 4.2Å
106	A	90.6	Very high	74.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.8	172.9	0	0	0	0	0	109.5	F61 F108 I126 K128 L129 N130	F61-A106 HydrophobicContact CD1-CB 3.9Å; F61-A106 HydrophobicContact CE1-CB 3.74Å; A106-F108 HydrophobicContact CB-CD2 4.21Å; A106-F108 HydrophobicContact CB-CE2 3.88Å; A106-I126 HydrophobicContact CB-CD1 3.75Å; A106-I126 HydrophobicContact CB-CG1 4.15Å; A106-I126 HydrophobicContact CB-CG2 4.05Å; A106-K128 PolarHBondContact N-O 2.71Å; A106-L129 HydrophobicContact CB-CD1 4.05Å; A106-L129 WeakPolarHBondContact O-CA 3.37Å; A106-N130 PolarHBondContact O-N 3.39Å
107	D	92.2	Very high	76.8	Confident	53 Å²	53	56.9 Å²	56.9	28%	0.283	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.4	177	-159.9	-26.4	0	0	0	111	S60 S109 N130	S60-D107 PolarHBondContact O-N 3.23Å; D107-S109 VanDerWaalsContact OD1-CB 3.24Å; D107-S109 WeakPolarHBondContact OD1-CB 3.44Å; D107-S109 PolarHBondContact OD1-N 3.14Å; D107-S109 PolarHBondContact OD1-OG 3.03Å; D107-N130 HydrophobicContact CB-CB 4.44Å; D107-N130 PolarHBondContact OD1-ND2 3.03Å; D107-N130 PolarHBondContact OD2-ND2 2.93Å; D107-N130 VanDerWaalsContact OD2-ND2 3.11Å
108	F	92.5	Very high	79.1	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	33%	0.329	C	S	.	.			trans	-121.5	20.2	177.6	-72.4	-87.5	0	0	0	111	I59 F61 A106 Q111 F113 I120 L129 N130 L131 N134	I59-F108 HydrophobicContact CB-CE1 4.13Å; I59-F108 HydrophobicContact CB-CZ 4.41Å; I59-F108 HydrophobicContact CD1-CE1 3.67Å; I59-F108 HydrophobicContact CD1-CZ 4.29Å; I59-F108 HydrophobicContact CG1-CD1 4.24Å; I59-F108 HydrophobicContact CG1-CE1 3.59Å; I59-F108 HydrophobicContact CG1-CZ 4.3Å; I59-F108 HydrophobicContact CG2-CD1 4.31Å; I59-F108 HydrophobicContact CG2-CE1 3.46Å; I59-F108 VanDerWaalsContact CG2-CE1 3.46Å; I59-F108 HydrophobicContact CG2-CE2 4.05Å; I59-F108 HydrophobicContact CG2-CZ 3.29Å; F61-F108 HydrophobicContact CE1-CE2 4.47Å; F61-F108 HydrophobicContact CZ-CE2 4.41Å; F61-F108 HydrophobicContact CZ-CZ 4.14Å; A106-F108 HydrophobicContact CB-CD2 4.21Å; A106-F108 HydrophobicContact CB-CE2 3.88Å; F108-Q111 WeakPolarHBondContact O-CG 3.22Å; F108-F113 HydrophobicContact CB-CD2 4.46Å; F108-F113 HydrophobicContact CB-CE2 4.02Å; F108-F113 AromaticContact CD1-CE2 3.68Å; F108-F113 HydrophobicContact CD1-CE2 3.68Å; F108-F113 HydrophobicContact CD1-CZ 4.12Å; F108-F113 HydrophobicContact CG-CE2 4.31Å; F108-I120 HydrophobicContact CD2-CG2 4.32Å; F108-I120 HydrophobicContact CE1-CG2 4.14Å; F108-I120 HydrophobicContact CE2-CG2 3.44Å; F108-I120 VanDerWaalsContact CE2-CG2 3.44Å; F108-I120 HydrophobicContact CZ-CG2 3.33Å; F108-L129 HydrophobicContact CD2-CD1 3.95Å; F108-L129 HydrophobicContact CE2-CD1 4.42Å; F108-N130 CarbonylContact C-O 3.25Å; F108-N130 WeakPolarHBondContact CA-O 3.2Å; F108-N130 PolarHBondContact N-O 3.1Å; F108-L131 HydrophobicContact CB-CD2 3.94Å; F108-N134 PolarHBondContact O-ND2 2.82Å
109	S	92.6	Very high	80.8	Confident	31 Å²	31	49.8 Å²	49.8	22%	0.217	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	149.8	-179.3	61.6	0	0	0	0	112.7	D107 Q111 N130 S132	D107-S109 VanDerWaalsContact OD1-CB 3.24Å; D107-S109 WeakPolarHBondContact OD1-CB 3.44Å; D107-S109 PolarHBondContact OD1-N 3.14Å; D107-S109 PolarHBondContact OD1-OG 3.03Å; S109-Q111 WeakPolarHBondContact O-CG 3.45Å; S109-Q111 PolarHBondContact O-N 3.18Å; S109-Q111 VanDerWaalsContact O-N 3.16Å; S109-Q111 PolarHBondContact O-NE2 3.34Å; S109-N130 PolarHBondContact N-O 3.27Å; S109-N130 PolarHBondContact OG-ND2 2.66Å; S109-S132 CarbonylContact C-O 3.43Å; S109-S132 WeakPolarHBondContact CA-O 3.46Å; S109-S132 VanDerWaalsContact CB-O 3.23Å; S109-S132 WeakPolarHBondContact CB-O 3.4Å; S109-S132 WeakPolarHBondContact CB-OG 3.35Å
110	G	92	Very high	82.8	Confident	53 Å²	53	46 Å²	46	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	14	172.6	0	0	0	0	0	115.6	S132 N133	G110-S132 PolarHBondContact N-O 3.04Å; G110-S132 VanDerWaalsContact N-O 3.09Å; G110-N133 WeakPolarHBondContact CA-O 3.47Å; G110-N133 PolarHBondContact N-O 3.05Å
111	Q	91.3	Very high	84.9	Confident	73 Å²	73	41.9 Å²	41.9	34%	0.341	25%	0.253	S	S	.	.	S	Bend	trans	-90.4	-5.3	-175.3	-58	-51.2	-53.5	0	0	113.5	V57 F108 S109 F113 N134	V57-Q111 HydrophobicContact CG1-CB 4.42Å; V57-Q111 HydrophobicContact CG1-CG 4Å; F108-Q111 WeakPolarHBondContact O-CG 3.22Å; S109-Q111 WeakPolarHBondContact O-CG 3.45Å; S109-Q111 PolarHBondContact O-N 3.18Å; S109-Q111 VanDerWaalsContact O-N 3.16Å; S109-Q111 PolarHBondContact O-NE2 3.34Å; Q111-F113 VanDerWaalsContact C-N 3.31Å; Q111-F113 HydrophobicContact CB-CD2 3.62Å; Q111-F113 HydrophobicContact CB-CE2 3.35Å; Q111-F113 HydrophobicContact CB-CG 4.3Å; Q111-F113 HydrophobicContact CB-CZ 3.86Å; Q111-F113 HydrophobicContact CG-CD2 4.35Å; Q111-F113 HydrophobicContact CG-CE2 3.73Å; Q111-F113 HydrophobicContact CG-CZ 4.31Å; Q111-F113 PolarHBondContact O-N 3.41Å; Q111-N134 PolarHBondContact N-OD1 3.43Å; Q111-N134 VanDerWaalsContact N-OD1 3.12Å
112	G	90.2	Very high	86.4	Confident	35 Å²	35	42 Å²	42	36%	0.361	25%	0.253	S	S	.	.			trans	75.1	16.1	179.9	0	0	0	0	0	114.4	T114 N134 N135	G112-T114 PolarHBondContact O-N 3.43Å; G112-N134 PolarHBondContact N-OD1 3.43Å; G112-N135 PolarHBondContact O-ND2 3.2Å; G112-N135 VanDerWaalsContact O-ND2 3.12Å
113	F	91.1	Very high	87.9	Confident	31 Å²	31	43 Å²	43	14%	0.136	25%	0.247	C	C	.	.			trans	-59	134.4	-178.8	-71	-53.5	0	0	0	112.6	V57 F108 Q111 T115 P117 N134 N135 L136	V57-F113 HydrophobicContact CG1-CZ 4Å; F108-F113 HydrophobicContact CB-CD2 4.46Å; F108-F113 HydrophobicContact CB-CE2 4.02Å; F108-F113 AromaticContact CD1-CE2 3.68Å; F108-F113 HydrophobicContact CD1-CE2 3.68Å; F108-F113 HydrophobicContact CD1-CZ 4.12Å; F108-F113 HydrophobicContact CG-CE2 4.31Å; Q111-F113 VanDerWaalsContact C-N 3.31Å; Q111-F113 HydrophobicContact CB-CD2 3.62Å; Q111-F113 HydrophobicContact CB-CE2 3.35Å; Q111-F113 HydrophobicContact CB-CG 4.3Å; Q111-F113 HydrophobicContact CB-CZ 3.86Å; Q111-F113 HydrophobicContact CG-CD2 4.35Å; Q111-F113 HydrophobicContact CG-CE2 3.73Å; Q111-F113 HydrophobicContact CG-CZ 4.31Å; Q111-F113 PolarHBondContact O-N 3.41Å; F113-T115 WeakPolarHBondContact CB-O 3.16Å; F113-P117 HydrophobicContact CD1-CG 4.02Å; F113-P117 HydrophobicContact CD2-CG 4.28Å; F113-P117 HydrophobicContact CE1-CG 3.66Å; F113-P117 HydrophobicContact CE2-CG 3.95Å; F113-P117 HydrophobicContact CG-CG 4.32Å; F113-P117 HydrophobicContact CZ-CG 3.61Å; F113-N134 HydrophobicContact CB-CB 4.3Å; F113-N134 PolarHBondContact N-OD1 3.33Å; F113-N135 CarbonylContact O-C 3.21Å; F113-N135 VanDerWaalsContact O-CA 3.23Å; F113-N135 WeakPolarHBondContact O-CA 3.46Å; F113-N135 WeakPolarHBondContact O-CB 3.48Å; F113-N135 PolarHBondContact O-N 2.99Å; F113-L136 HydrophobicContact CB-CD2 4.13Å; F113-L136 PolarHBondContact O-N 3.1Å
114	T	89.8	Confident	88.5	Confident	88 Å²	88	46.9 Å²	46.9	54%	0.54	27%	0.267	S	S	.	.	S	Bend	trans	-93	-19	171.4	55	0	0	0	0	112.9	G112 N135	G112-T114 PolarHBondContact O-N 3.43Å; T114-N135 HydrophobicContact CG2-CB 4.08Å
115	T	89.9	Confident	88.7	Confident	56 Å²	56	47.2 Å²	47.2	34%	0.344	27%	0.272	S	S	.	.	S	Bend	trans	-140.1	154.7	171.6	-176.2	0	0	0	0	109.5	F113	F113-T115 WeakPolarHBondContact CB-O 3.16Å
116	V	90.5	Very high	88.8	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.024	26%	0.259	C	S	.	.			trans	-67.5	128.8	174.3	-177.5	0	0	0	0	109.5	S118 I120 F121 L131 L136 L139 P140	V116-S118 PolarHBondContact O-N 3.01Å; V116-I120 HydrophobicContact CG1-CD1 3.17Å; V116-I120 HydrophobicContact CG1-CG1 3.83Å; V116-F121 HydrophobicContact CB-CZ 3.85Å; V116-F121 HydrophobicContact CG1-CE1 3.88Å; V116-F121 HydrophobicContact CG1-CE2 4.37Å; V116-F121 HydrophobicContact CG1-CZ 3.52Å; V116-L131 HydrophobicContact CG1-CD1 4.29Å; V116-L131 HydrophobicContact CG1-CD2 4.26Å; V116-L131 HydrophobicContact CG2-CD1 3.84Å; V116-L131 HydrophobicContact CG2-CD2 4.41Å; V116-L136 HydrophobicContact CG2-CD1 3.91Å; V116-L136 HydrophobicContact CG2-CD2 4.06Å; V116-L139 HydrophobicContact CG2-CD2 3.85Å; V116-P140 HydrophobicContact CB-CG 4.11Å; V116-P140 HydrophobicContact CG2-CG 4.45Å
117	P	87.8	Confident	88.9	Confident	21 Å²	21	45 Å²	45	14%	0.136	26%	0.261	C	S	.	.			trans	-61.6	124.4	177.5	-23.6	33.9	0	0	0	111.8	F113 I119 I120	F113-P117 HydrophobicContact CD1-CG 4.02Å; F113-P117 HydrophobicContact CD2-CG 4.28Å; F113-P117 HydrophobicContact CE1-CG 3.66Å; F113-P117 HydrophobicContact CE2-CG 3.95Å; F113-P117 HydrophobicContact CG-CG 4.32Å; F113-P117 HydrophobicContact CZ-CG 3.61Å; P117-I119 HydrophobicContact CB-CG2 4.14Å; P117-I119 PolarHBondContact O-N 3.19Å; P117-I119 VanDerWaalsContact O-N 3.07Å; P117-I120 WeakPolarHBondContact O-CG1 3.34Å; P117-I120 PolarHBondContact O-N 3.4Å; P117-I120 VanDerWaalsContact O-N 3.17Å
118	S	87.6	Confident	89	Confident	68 Å²	68	45 Å²	45	48%	0.476	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.5	-26.4	-173.9	54.3	0	0	0	0	114.3	V116 I120 F121	V116-S118 PolarHBondContact O-N 3.01Å; S118-I120 PolarHBondContact O-N 2.99Å; S118-I120 VanDerWaalsContact O-N 3.12Å; S118-F121 WeakPolarHBondContact O-CD2 3.41Å; S118-F121 PolarHBondContact O-N 3.27Å; S118-F121 VanDerWaalsContact O-N 3.13Å
119	I	84.5	Confident	89.2	Confident	45 Å²	45	45 Å²	45	23%	0.231	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-56.8	-27.6	179	-168.3	59.9	0	0	0	113.1	L44 P117 F121	L44-I119 HydrophobicContact CD1-CD1 4.17Å; P117-I119 HydrophobicContact CB-CG2 4.14Å; P117-I119 PolarHBondContact O-N 3.19Å; P117-I119 VanDerWaalsContact O-N 3.07Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 3.42Å
120	I	86.5	Confident	89.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-72.3	-28.3	-178.1	80.2	171.8	0	0	0	112.3	F108 V116 P117 S118 H122 R123 L129	F108-I120 HydrophobicContact CD2-CG2 4.32Å; F108-I120 HydrophobicContact CE1-CG2 4.14Å; F108-I120 HydrophobicContact CE2-CG2 3.44Å; F108-I120 VanDerWaalsContact CE2-CG2 3.44Å; F108-I120 HydrophobicContact CZ-CG2 3.33Å; V116-I120 HydrophobicContact CG1-CD1 3.17Å; V116-I120 HydrophobicContact CG1-CG1 3.83Å; P117-I120 WeakPolarHBondContact O-CG1 3.34Å; P117-I120 PolarHBondContact O-N 3.4Å; P117-I120 VanDerWaalsContact O-N 3.17Å; S118-I120 PolarHBondContact O-N 2.99Å; S118-I120 VanDerWaalsContact O-N 3.12Å; I120-H122 PolarHBondContact O-N 3.37Å; I120-R123 WeakPolarHBondContact O-CB 3.47Å; I120-R123 PolarHBondContact O-N 3.36Å; I120-L129 HydrophobicContact CD1-CD1 3.99Å; I120-L129 HydrophobicContact CD1-CD2 3.69Å
121	F	87.9	Confident	89.5	Confident	22 Å²	22	42.2 Å²	42.2	10%	0.096	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-69.7	-23.3	-176.1	-55.5	-51.5	0	0	0	112.3	V116 S118 I119 R123 P140 E142 I143 M146	V116-F121 HydrophobicContact CB-CZ 3.85Å; V116-F121 HydrophobicContact CG1-CE1 3.88Å; V116-F121 HydrophobicContact CG1-CE2 4.37Å; V116-F121 HydrophobicContact CG1-CZ 3.52Å; S118-F121 WeakPolarHBondContact O-CD2 3.41Å; S118-F121 PolarHBondContact O-N 3.27Å; S118-F121 VanDerWaalsContact O-N 3.13Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 3.42Å; F121-R123 VanDerWaalsContact C-N 3.26Å; F121-R123 PolarHBondContact O-N 2.89Å; F121-P140 HydrophobicContact CE2-CB 4.04Å; F121-P140 HydrophobicContact CE2-CG 4.15Å; F121-P140 HydrophobicContact CZ-CB 3.78Å; F121-P140 HydrophobicContact CZ-CG 3.78Å; F121-E142 HydrophobicContact CB-CB 3.96Å; F121-E142 HydrophobicContact CD1-CB 3.83Å; F121-E142 HydrophobicContact CD2-CB 3.49Å; F121-E142 VanDerWaalsContact CD2-CB 3.49Å; F121-E142 HydrophobicContact CD2-CG 4.18Å; F121-E142 HydrophobicContact CE1-CB 4.18Å; F121-E142 HydrophobicContact CE2-CB 3.87Å; F121-E142 HydrophobicContact CG-CB 3.48Å; F121-E142 VanDerWaalsContact CG-CB 3.48Å; F121-E142 HydrophobicContact CZ-CB 4.2Å; F121-I143 HydrophobicContact CE1-CB 4.14Å; F121-I143 HydrophobicContact CE1-CD1 3.97Å; F121-M146 HydrophobicContact CD1-SD 4.05Å
122	H	81.9	Confident	89.7	Confident	140 Å²	140	39 Å²	39	65%	0.648	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-79.4	-6.5	173.5	-55.8	115.8	0	0	0	113.3	I120 I124	I120-H122 PolarHBondContact O-N 3.37Å; H122-I124 PolarHBondContact O-N 2.95Å
123	R	85.9	Confident	90	Very high	82 Å²	82	41.5 Å²	41.5	31%	0.309	22%	0.219	S	C	.	.			trans	-99	67.2	179.7	-63.8	-72.8	-172.1	-91.8	-1.7	110.1	I120 F121 T125 I126	I120-R123 WeakPolarHBondContact O-CB 3.47Å; I120-R123 PolarHBondContact O-N 3.36Å; F121-R123 VanDerWaalsContact C-N 3.26Å; F121-R123 PolarHBondContact O-N 2.89Å; R123-T125 PolarHBondContact O-N 3.35Å; R123-I126 HydrophobicContact CB-CD1 3.51Å; R123-I126 HydrophobicContact CB-CG1 3.87Å; R123-I126 HydrophobicContact CG-CD1 4.38Å; R123-I126 WeakPolarHBondContact O-CG1 3.34Å; R123-I126 PolarHBondContact O-N 3.14Å
124	I	81.9	Confident	90.1	Very high	87 Å²	87	40.3 Å²	40.3	45%	0.446	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-10.6	179.6	60.7	166.6	0	0	0	114.1	H122 N148	H122-I124 PolarHBondContact O-N 2.95Å; I124-N148 WeakPolarHBondContact O-CB 3.43Å; I124-N148 PolarHBondContact O-ND2 3.42Å
125	T	87	Confident	90.3	Very high	47 Å²	47	39.6 Å²	39.6	29%	0.288	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.3	176.2	47.2	0	0	0	0	113.5	Q104 R123 T127	Q104-T125 PolarHBondContact OE1-OG1 3.28Å; R123-T125 PolarHBondContact O-N 3.35Å; T125-T127 PolarHBondContact O-N 3.18Å
126	I	90.4	Very high	90.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125.4	179	-64.5	168.3	0	0	0	110	F61 Q104 A106 R123 K128 L129 M146 L149	F61-I126 HydrophobicContact CE1-CD1 4.04Å; Q104-I126 WeakPolarHBondContact O-CA 3.39Å; A106-I126 HydrophobicContact CB-CD1 3.75Å; A106-I126 HydrophobicContact CB-CG1 4.15Å; A106-I126 HydrophobicContact CB-CG2 4.05Å; R123-I126 HydrophobicContact CB-CD1 3.51Å; R123-I126 HydrophobicContact CB-CG1 3.87Å; R123-I126 HydrophobicContact CG-CD1 4.38Å; R123-I126 WeakPolarHBondContact O-CG1 3.34Å; R123-I126 PolarHBondContact O-N 3.14Å; I126-K128 WeakPolarHBondContact CG2-O 3.43Å; I126-L129 HydrophobicContact CG2-CB 4.19Å; I126-M146 HydrophobicContact CB-CE 3.74Å; I126-M146 HydrophobicContact CD1-CE 3.93Å; I126-M146 HydrophobicContact CG1-CE 4.41Å; I126-M146 HydrophobicContact CG2-CE 3.91Å; I126-L149 HydrophobicContact CG2-CD1 4.09Å
127	T	93.5	Very high	90.4	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.043	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-25.4	175.6	65.5	0	0	0	0	112.5	N103 Q104 T125 Q150 Y151	N103-T127 WeakPolarHBondContact CA-OG1 3.49Å; N103-T127 PolarHBondContact OD1-OG1 3.21Å; Q104-T127 PolarHBondContact O-N 3.24Å; T125-T127 PolarHBondContact O-N 3.18Å; T127-Q150 WeakPolarHBondContact O-CA 3.28Å; T127-Q150 PolarHBondContact O-N 3.42Å; T127-Y151 PolarHBondContact O-N 3.2Å
128	K	95.1	Very high	90.5	Very high	52 Å²	52	45.2 Å²	45.2	23%	0.226	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.4	176	-52.9	-171.3	176.8	171.8	0	109.9	E98 Q104 I105 A106 I126 Y151	E98-K128 IonicContact OE1-NZ 2.88Å; E98-K128 PolarHBondContact OE1-NZ 3.23Å; E98-K128 IonicContact OE2-NZ 2.84Å; Q104-K128 PolarHBondContact O-N 2.91Å; I105-K128 WeakPolarHBondContact CA-O 3.26Å; I105-K128 HydrophobicContact CB-CB 4.44Å; I105-K128 HydrophobicContact CD1-CD 4.39Å; I105-K128 HydrophobicContact CG1-CB 4.14Å; I105-K128 HydrophobicContact CG1-CD 4.27Å; I105-K128 HydrophobicContact CG1-CG 4.41Å; I105-K128 HydrophobicContact CG2-CB 4.2Å; A106-K128 PolarHBondContact N-O 2.71Å; I126-K128 WeakPolarHBondContact CG2-O 3.43Å; K128-Y151 HydrophobicContact CB-CD1 4.33Å; K128-Y151 HydrophobicContact CB-CG 4.47Å
129	L	95.2	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.6	179.6	177.6	60.7	0	0	0	110.4	A106 F108 I120 I126 L131 I143 M146 L149 Y151 L152 D153	A106-L129 HydrophobicContact CB-CD1 4.05Å; A106-L129 WeakPolarHBondContact O-CA 3.37Å; F108-L129 HydrophobicContact CD2-CD1 3.95Å; F108-L129 HydrophobicContact CE2-CD1 4.42Å; I120-L129 HydrophobicContact CD1-CD1 3.99Å; I120-L129 HydrophobicContact CD1-CD2 3.69Å; I126-L129 HydrophobicContact CG2-CB 4.19Å; L129-L131 HydrophobicContact CD1-CD2 4.35Å; L129-L131 HydrophobicContact CD1-CG 4.14Å; L129-L131 HydrophobicContact CD2-CD1 3.84Å; L129-L131 HydrophobicContact CD2-CG 4.22Å; L129-L131 HydrophobicContact CG-CD1 4.11Å; L129-L131 HydrophobicContact CG-CG 3.95Å; L129-I143 HydrophobicContact CD2-CD1 3.73Å; L129-M146 HydrophobicContact CD2-CE 4.2Å; L129-M146 HydrophobicContact CD2-SD 4.2Å; L129-L149 HydrophobicContact CB-CD1 3.69Å; L129-Y151 PolarHBondContact N-O 3.09Å; L129-L152 HydrophobicContact CB-CD1 4.25Å; L129-L152 HydrophobicContact CD2-CD1 4.03Å; L129-L152 HydrophobicContact CG-CD1 4.16Å; L129-L152 WeakPolarHBondContact O-CA 3.48Å; L129-D153 PolarHBondContact O-N 2.76Å
130	N	95.4	Very high	91.2	Very high	27 Å²	27	40.7 Å²	40.7	14%	0.144	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.4	174.1	-175.3	7.8	0	0	0	109.9	A106 D107 F108 S109 S132	A106-N130 PolarHBondContact O-N 3.39Å; D107-N130 HydrophobicContact CB-CB 4.44Å; D107-N130 PolarHBondContact OD1-ND2 3.03Å; D107-N130 PolarHBondContact OD2-ND2 2.93Å; D107-N130 VanDerWaalsContact OD2-ND2 3.11Å; F108-N130 CarbonylContact C-O 3.25Å; F108-N130 WeakPolarHBondContact CA-O 3.2Å; F108-N130 PolarHBondContact N-O 3.1Å; S109-N130 PolarHBondContact N-O 3.27Å; S109-N130 PolarHBondContact OG-ND2 2.66Å; N130-S132 VanDerWaalsContact OD1-CB 3.29Å; N130-S132 WeakPolarHBondContact OD1-CB 3.37Å; N130-S132 PolarHBondContact OD1-N 3.13Å; N130-S132 PolarHBondContact OD1-OG 2.63Å
131	L	96	Very high	91.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.			trans	-116.5	14.3	175.7	-68.7	167.3	0	0	0	111.3	F108 V116 L129 N134 L136 L139 L152 D153 I154 N157	F108-L131 HydrophobicContact CB-CD2 3.94Å; V116-L131 HydrophobicContact CG1-CD1 4.29Å; V116-L131 HydrophobicContact CG1-CD2 4.26Å; V116-L131 HydrophobicContact CG2-CD1 3.84Å; V116-L131 HydrophobicContact CG2-CD2 4.41Å; L129-L131 HydrophobicContact CD1-CD2 4.35Å; L129-L131 HydrophobicContact CD1-CG 4.14Å; L129-L131 HydrophobicContact CD2-CD1 3.84Å; L129-L131 HydrophobicContact CD2-CG 4.22Å; L129-L131 HydrophobicContact CG-CD1 4.11Å; L129-L131 HydrophobicContact CG-CG 3.95Å; L131-N134 PolarHBondContact O-ND2 2.96Å; L131-L136 HydrophobicContact CB-CD1 4Å; L131-L136 HydrophobicContact CD1-CD1 4.29Å; L131-L139 HydrophobicContact CD1-CD2 4.23Å; L131-L152 HydrophobicContact CD1-CD1 4.26Å; L131-D153 CarbonylContact C-O 3.47Å; L131-D153 WeakPolarHBondContact CA-O 3.44Å; L131-D153 WeakPolarHBondContact CB-O 3.45Å; L131-D153 PolarHBondContact N-O 3.35Å; L131-I154 HydrophobicContact CB-CG2 4.23Å; L131-I154 HydrophobicContact CD1-CG2 4.24Å; L131-N157 PolarHBondContact O-ND2 3.48Å
132	S	96.2	Very high	91.7	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.042	24%	0.238	C	C	.	.			trans	-64.3	160.5	-175.7	64.5	0	0	0	0	112.9	S109 G110 N130 N134 D153 S155	S109-S132 CarbonylContact C-O 3.43Å; S109-S132 WeakPolarHBondContact CA-O 3.46Å; S109-S132 VanDerWaalsContact CB-O 3.23Å; S109-S132 WeakPolarHBondContact CB-O 3.4Å; S109-S132 WeakPolarHBondContact CB-OG 3.35Å; G110-S132 PolarHBondContact N-O 3.04Å; G110-S132 VanDerWaalsContact N-O 3.09Å; N130-S132 VanDerWaalsContact OD1-CB 3.29Å; N130-S132 WeakPolarHBondContact OD1-CB 3.37Å; N130-S132 PolarHBondContact OD1-N 3.13Å; N130-S132 PolarHBondContact OD1-OG 2.63Å; S132-N134 VanDerWaalsContact C-N 3.3Å; S132-N134 PolarHBondContact O-N 3.19Å; S132-N134 PolarHBondContact O-ND2 3.02Å; S132-D153 PolarHBondContact N-O 3.37Å; S132-S155 CarbonylContact C-O 3.41Å; S132-S155 WeakPolarHBondContact CA-O 3.48Å; S132-S155 WeakPolarHBondContact CB-O 3.48Å; S132-S155 VanDerWaalsContact CB-OG 3.23Å; S132-S155 WeakPolarHBondContact CB-OG 3.45Å
133	N	95.6	Very high	92.3	Very high	86 Å²	86	40.7 Å²	40.7	46%	0.46	21%	0.207	S	C	.	.	S	Bend	trans	56.7	42.7	174.7	-60.4	-77.8	0	0	0	113	G110 S155 H156	G110-N133 WeakPolarHBondContact CA-O 3.47Å; G110-N133 PolarHBondContact N-O 3.05Å; N133-S155 PolarHBondContact N-O 3.03Å; N133-H156 VanDerWaalsContact CA-O 3.28Å; N133-H156 WeakPolarHBondContact CA-O 3.22Å; N133-H156 HydrophobicContact CB-CB 4.49Å; N133-H156 PolarHBondContact N-O 3.26Å; N133-H156 WeakPolarHBondContact OD1-CB 3.19Å
134	N	94.2	Very high	92.6	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.032	19%	0.193	C	C	.	.	S	Bend	trans	-118	-172.5	173.9	-78.7	-66	0	0	0	109.6	F108 Q111 G112 F113 L131 S132 L136 H156 N157	F108-N134 PolarHBondContact O-ND2 2.82Å; Q111-N134 PolarHBondContact N-OD1 3.43Å; Q111-N134 VanDerWaalsContact N-OD1 3.12Å; G112-N134 PolarHBondContact N-OD1 3.43Å; F113-N134 HydrophobicContact CB-CB 4.3Å; F113-N134 PolarHBondContact N-OD1 3.33Å; L131-N134 PolarHBondContact O-ND2 2.96Å; S132-N134 VanDerWaalsContact C-N 3.3Å; S132-N134 PolarHBondContact O-N 3.19Å; S132-N134 PolarHBondContact O-ND2 3.02Å; N134-L136 HydrophobicContact CB-CG 4.09Å; N134-H156 PolarHBondContact N-O 3.36Å; N134-H156 VanDerWaalsContact O-O 3.13Å; N134-N157 WeakPolarHBondContact CA-OD1 3.44Å; N134-N157 WeakPolarHBondContact CB-OD1 3.38Å; N134-N157 PolarHBondContact O-OD1 3.25Å; N134-N157 VanDerWaalsContact O-OD1 3.12Å
135	N	92.6	Very high	93.1	Very high	74 Å²	74	36.4 Å²	36.4	40%	0.396	19%	0.191	S	C	.	.			trans	-108.8	29.7	178.4	-62.1	-56.6	0	0	0	111.6	G112 F113 T114 N137	G112-N135 PolarHBondContact O-ND2 3.2Å; G112-N135 VanDerWaalsContact O-ND2 3.12Å; F113-N135 CarbonylContact O-C 3.21Å; F113-N135 VanDerWaalsContact O-CA 3.23Å; F113-N135 WeakPolarHBondContact O-CA 3.46Å; F113-N135 WeakPolarHBondContact O-CB 3.48Å; F113-N135 PolarHBondContact O-N 2.99Å; T114-N135 HydrophobicContact CG2-CB 4.08Å; N135-N137 PolarHBondContact O-N 3.18Å
136	L	92.3	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.			trans	-65.2	128.6	-174.9	-58.6	177.8	0	0	0	110.5	F113 V116 L131 N134 L139 N157 N158 L159	F113-L136 HydrophobicContact CB-CD2 4.13Å; F113-L136 PolarHBondContact O-N 3.1Å; V116-L136 HydrophobicContact CG2-CD1 3.91Å; V116-L136 HydrophobicContact CG2-CD2 4.06Å; L131-L136 HydrophobicContact CB-CD1 4Å; L131-L136 HydrophobicContact CD1-CD1 4.29Å; N134-L136 HydrophobicContact CB-CG 4.09Å; L136-L139 HydrophobicContact CD1-CD2 4.22Å; L136-N157 HydrophobicContact CB-CB 4.13Å; L136-N157 WeakPolarHBondContact CB-OD1 3.37Å; L136-N157 WeakPolarHBondContact CG-OD1 3.14Å; L136-N157 PolarHBondContact N-OD1 2.83Å; L136-N158 CarbonylContact O-C 3.15Å; L136-N158 WeakPolarHBondContact O-CA 3.24Å; L136-N158 PolarHBondContact O-N 3.42Å; L136-L159 HydrophobicContact CB-CD2 4.4Å; L136-L159 WeakPolarHBondContact O-CD2 3.38Å; L136-L159 PolarHBondContact O-N 3.42Å
137	N	90.3	Very high	93.4	Very high	84 Å²	84	37 Å²	37	45%	0.449	19%	0.192	S	C	.	.	S	Bend	trans	-97.2	-19.1	176.4	-62.3	-58	0	0	0	112.8	N135 N158	N135-N137 PolarHBondContact O-N 3.18Å; N137-N158 WeakPolarHBondContact OD1-CB 3.38Å
138	Y	91.6	Very high	93.4	Very high	114 Å²	114	39.7 Å²	39.7	45%	0.447	21%	0.206	S	C	.	.			trans	-157	163.3	175.7	67.1	-82.2	0	0	0	110.2	P140 Q209	Y138-P140 HydrophobicContact CE2-CB 4.47Å; Y138-P140 HydrophobicContact CE2-CG 3.99Å; Y138-Q209 CarbonylContact C-O 3.52Å; Y138-Q209 WeakPolarHBondContact CA-O 3.49Å
139	L	92.8	Very high	93.4	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.195	C	C	.	.			trans	-98.1	129.3	163.8	-69.7	-175.2	0	0	0	110.9	V116 L131 L136 I143 L152 I154 Q209 L210	V116-L139 HydrophobicContact CG2-CD2 3.85Å; L131-L139 HydrophobicContact CD1-CD2 4.23Å; L136-L139 HydrophobicContact CD1-CD2 4.22Å; L139-I143 HydrophobicContact CB-CG2 4.47Å; L139-L152 HydrophobicContact CD1-CD2 4.25Å; L139-I154 HydrophobicContact CD1-CD1 4.01Å; L139-I154 HydrophobicContact CD1-CG2 4.14Å; L139-I154 HydrophobicContact CD2-CG2 4.03Å; L139-Q209 PolarHBondContact N-O 3.01Å; L139-L210 HydrophobicContact CB-CD2 4.38Å; L139-L210 HydrophobicContact CD1-CD2 3.54Å; L139-L210 HydrophobicContact CG-CD2 3.91Å
140	P	92.6	Very high	93.4	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.084	21%	0.207	C	C	.	.			trans	-61	150.7	173.4	-23.3	34.9	0	0	0	112.5	V116 F121 Y138 E142 I143	V116-P140 HydrophobicContact CB-CG 4.11Å; V116-P140 HydrophobicContact CG2-CG 4.45Å; F121-P140 HydrophobicContact CE2-CB 4.04Å; F121-P140 HydrophobicContact CE2-CG 4.15Å; F121-P140 HydrophobicContact CZ-CB 3.78Å; F121-P140 HydrophobicContact CZ-CG 3.78Å; Y138-P140 HydrophobicContact CE2-CB 4.47Å; Y138-P140 HydrophobicContact CE2-CG 3.99Å; P140-E142 WeakPolarHBondContact CB-OE2 3.24Å; P140-E142 PolarHBondContact O-N 2.94Å; P140-I143 WeakPolarHBondContact O-CB 3.42Å; P140-I143 WeakPolarHBondContact O-CG2 3.41Å; P140-I143 PolarHBondContact O-N 3.43Å
141	S	92.2	Very high	93.5	Very high	77 Å²	77	40.8 Å²	40.8	54%	0.538	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.4	-25.7	179.5	42.4	0	0	0	0	114.2	I143 C144	S141-I143 PolarHBondContact O-N 3.21Å; S141-C144 WeakPolarHBondContact O-CB 3.37Å; S141-C144 PolarHBondContact O-N 2.84Å; S141-C144 PolarHBondContact O-SG 3.46Å; S141-C144 VanDerWaalsContact O-SG 3.33Å
142	E	93.4	Very high	93.6	Very high	87 Å²	87	40.8 Å²	40.8	41%	0.407	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-64	-20.7	179.5	-63.8	86.5	156	0	0	111.8	F121 P140 C144 D145	F121-E142 HydrophobicContact CB-CB 3.96Å; F121-E142 HydrophobicContact CD1-CB 3.83Å; F121-E142 HydrophobicContact CD2-CB 3.49Å; F121-E142 VanDerWaalsContact CD2-CB 3.49Å; F121-E142 HydrophobicContact CD2-CG 4.18Å; F121-E142 HydrophobicContact CE1-CB 4.18Å; F121-E142 HydrophobicContact CE2-CB 3.87Å; F121-E142 HydrophobicContact CG-CB 3.48Å; F121-E142 VanDerWaalsContact CG-CB 3.48Å; F121-E142 HydrophobicContact CZ-CB 4.2Å; P140-E142 WeakPolarHBondContact CB-OE2 3.24Å; P140-E142 PolarHBondContact O-N 2.94Å; E142-C144 PolarHBondContact O-N 3.28Å; E142-D145 PolarHBondContact O-N 3.12Å
143	I	93.7	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32	170.2	-160.2	74.4	0	0	0	111.1	F121 L129 L139 P140 S141 D145 M146 P211 L217	F121-I143 HydrophobicContact CE1-CB 4.14Å; F121-I143 HydrophobicContact CE1-CD1 3.97Å; L129-I143 HydrophobicContact CD2-CD1 3.73Å; L139-I143 HydrophobicContact CB-CG2 4.47Å; P140-I143 WeakPolarHBondContact O-CB 3.42Å; P140-I143 WeakPolarHBondContact O-CG2 3.41Å; P140-I143 PolarHBondContact O-N 3.43Å; S141-I143 PolarHBondContact O-N 3.21Å; I143-D145 PolarHBondContact O-N 3.24Å; I143-M146 HydrophobicContact CD1-SD 3.73Å; I143-M146 WeakPolarHBondContact O-CB 3.29Å; I143-M146 PolarHBondContact O-N 3.01Å; I143-M146 VanDerWaalsContact O-N 3.14Å; I143-P211 HydrophobicContact CG2-CG 3.57Å; I143-L217 WeakPolarHBondContact O-CD2 3.24Å
144	C	93.1	Very high	93.7	Very high	2 Å²	2	37 Å²	37	1%	0.014	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-68.9	-14.5	-179.5	-58.1	0	0	0	0	113.3	S141 E142 P211 D213	S141-C144 WeakPolarHBondContact O-CB 3.37Å; S141-C144 PolarHBondContact O-N 2.84Å; S141-C144 PolarHBondContact O-SG 3.46Å; S141-C144 VanDerWaalsContact O-SG 3.33Å; E142-C144 PolarHBondContact O-N 3.28Å; C144-P211 WeakPolarHBondContact SG-CG 3.42Å; C144-D213 VanDerWaalsContact SG-C 3.6Å
145	D	91.9	Very high	93.9	Very high	76 Å²	76	37 Å²	37	41%	0.406	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-88.7	-8.9	177.2	-61	-36.2	0	0	0	112.1	E142 I143 I147 R216	E142-D145 PolarHBondContact O-N 3.12Å; I143-D145 PolarHBondContact O-N 3.24Å; D145-I147 PolarHBondContact O-N 2.96Å; D145-R216 IonicContact OD1-CZ 3.14Å; D145-R216 VanDerWaalsContact OD1-CZ 3.3Å; D145-R216 IonicContact OD1-NH1 2.75Å; D145-R216 PolarHBondContact OD1-NH1 3.33Å; D145-R216 IonicContact OD1-NH2 2.89Å; D145-R216 PolarHBondContact OD1-NH2 3.36Å
146	M	92.6	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.			trans	-77.8	61.3	171.9	-58.5	-176.8	69.4	0	0	111	F121 I126 L129 I143 N148 L149 L217	F121-M146 HydrophobicContact CD1-SD 4.05Å; I126-M146 HydrophobicContact CB-CE 3.74Å; I126-M146 HydrophobicContact CD1-CE 3.93Å; I126-M146 HydrophobicContact CG1-CE 4.41Å; I126-M146 HydrophobicContact CG2-CE 3.91Å; L129-M146 HydrophobicContact CD2-CE 4.2Å; L129-M146 HydrophobicContact CD2-SD 4.2Å; I143-M146 HydrophobicContact CD1-SD 3.73Å; I143-M146 WeakPolarHBondContact O-CB 3.29Å; I143-M146 PolarHBondContact O-N 3.01Å; I143-M146 VanDerWaalsContact O-N 3.14Å; M146-N148 PolarHBondContact O-N 3.15Å; M146-N148 VanDerWaalsContact O-N 3.08Å; M146-L149 HydrophobicContact CB-CB 4.29Å; M146-L149 HydrophobicContact CE-CD1 4.32Å; M146-L149 WeakPolarHBondContact O-CB 3.34Å; M146-L149 PolarHBondContact O-N 3.2Å; M146-L217 WeakPolarHBondContact O-CD2 3.31Å
147	I	91.3	Very high	94.1	Very high	61 Å²	61	37.6 Å²	37.6	31%	0.313	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.1	-172.1	59	170.3	0	0	0	114.8	D145 L149 N219	D145-I147 PolarHBondContact O-N 2.96Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-N219 PolarHBondContact O-ND2 3.04Å
148	N	92.7	Very high	94.1	Very high	63 Å²	63	37.3 Å²	37.3	34%	0.337	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.3	176.6	-65.1	-38.6	0	0	0	113.2	I124 M146 Q150	I124-N148 WeakPolarHBondContact O-CB 3.43Å; I124-N148 PolarHBondContact O-ND2 3.42Å; M146-N148 PolarHBondContact O-N 3.15Å; M146-N148 VanDerWaalsContact O-N 3.08Å; N148-Q150 PolarHBondContact O-N 2.99Å
149	L	95.1	Very high	93.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.			trans	-65.2	123	-179.2	-159.4	65	0	0	0	110.7	I126 L129 M146 I147 L152 N219 L220	I126-L149 HydrophobicContact CG2-CD1 4.09Å; L129-L149 HydrophobicContact CB-CD1 3.69Å; M146-L149 HydrophobicContact CB-CB 4.29Å; M146-L149 HydrophobicContact CE-CD1 4.32Å; M146-L149 WeakPolarHBondContact O-CB 3.34Å; M146-L149 PolarHBondContact O-N 3.2Å; I147-L149 VanDerWaalsContact C-N 3.33Å; L149-L152 HydrophobicContact CD2-CB 4Å; L149-L152 HydrophobicContact CD2-CD1 4.27Å; L149-L152 HydrophobicContact CD2-CD2 4.31Å; L149-L152 HydrophobicContact CD2-CG 4.42Å; L149-N219 CarbonylContact O-C 3.49Å; L149-L220 HydrophobicContact CB-CD1 4.45Å; L149-L220 HydrophobicContact CD2-CD1 4.21Å; L149-L220 HydrophobicContact CG-CD1 4.04Å; L149-L220 VanDerWaalsContact O-CA 3.23Å; L149-L220 WeakPolarHBondContact O-CA 3.43Å; L149-L220 PolarHBondContact O-N 3.31Å; L149-L220 VanDerWaalsContact O-N 3.08Å
150	Q	96.8	Very high	93.2	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	19%	0.185	C	C	.	.			trans	-110.5	-28.4	179.2	-62.4	180	18.4	0	0	112.2	T127 N148 N219 K221 T222	T127-Q150 WeakPolarHBondContact O-CA 3.28Å; T127-Q150 PolarHBondContact O-N 3.42Å; N148-Q150 PolarHBondContact O-N 2.99Å; Q150-N219 WeakPolarHBondContact CA-O 3.4Å; Q150-N219 HydrophobicContact CG-CB 4.39Å; Q150-K221 PolarHBondContact O-N 3.42Å; Q150-T222 PolarHBondContact O-N 2.87Å
151	Y	97.2	Very high	91.7	Very high	50 Å²	50	37 Å²	37	20%	0.196	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.6	177.9	179.6	-80.7	0	0	0	110	T127 K128 L129 D153 T222 K224	T127-Y151 PolarHBondContact O-N 3.2Å; K128-Y151 HydrophobicContact CB-CD1 4.33Å; K128-Y151 HydrophobicContact CB-CG 4.47Å; L129-Y151 PolarHBondContact N-O 3.09Å; Y151-D153 HydrophobicContact CE1-CB 3.57Å; Y151-D153 PolarHBondContact OH-OD2 2.84Å; Y151-D153 VanDerWaalsContact OH-OD2 3.13Å; Y151-T222 WeakPolarHBondContact CA-O 3.34Å; Y151-T222 HydrophobicContact CD2-CG2 3.52Å; Y151-T222 HydrophobicContact CE2-CG2 3.57Å; Y151-K224 WeakPolarHBondContact OH-CD 3.49Å; Y151-K224 VanDerWaalsContact OH-CE 3.28Å; Y151-K224 WeakPolarHBondContact OH-CE 3.39Å; Y151-K224 PolarHBondContact OH-NZ 2.87Å
152	L	97.5	Very high	89.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.2	173.4	178.5	57.9	0	0	0	109.6	L129 L131 L139 L149 I154 L220 T222 L223 K224	L129-L152 HydrophobicContact CB-CD1 4.25Å; L129-L152 HydrophobicContact CD2-CD1 4.03Å; L129-L152 HydrophobicContact CG-CD1 4.16Å; L129-L152 WeakPolarHBondContact O-CA 3.48Å; L131-L152 HydrophobicContact CD1-CD1 4.26Å; L139-L152 HydrophobicContact CD1-CD2 4.25Å; L149-L152 HydrophobicContact CD2-CB 4Å; L149-L152 HydrophobicContact CD2-CD1 4.27Å; L149-L152 HydrophobicContact CD2-CD2 4.31Å; L149-L152 HydrophobicContact CD2-CG 4.42Å; L152-I154 HydrophobicContact CD1-CG2 3.78Å; L152-I154 HydrophobicContact CD2-CG2 4.33Å; L152-I154 HydrophobicContact CG-CG2 3.93Å; L152-L220 HydrophobicContact CB-CD1 3.74Å; L152-L220 HydrophobicContact CB-CD2 4.48Å; L152-T222 PolarHBondContact N-O 3.29Å; L152-L223 HydrophobicContact CB-CD1 4.14Å; L152-L223 HydrophobicContact CD2-CD1 4.03Å; L152-L223 HydrophobicContact CG-CD1 4.07Å; L152-L223 WeakPolarHBondContact O-CA 3.27Å; L152-K224 PolarHBondContact O-N 2.86Å
153	D	97.8	Very high	86.9	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.7	172.7	-165.5	-19.5	0	0	0	110.2	L129 L131 S132 Y151 S155 K224	L129-D153 PolarHBondContact O-N 2.76Å; L131-D153 CarbonylContact C-O 3.47Å; L131-D153 WeakPolarHBondContact CA-O 3.44Å; L131-D153 WeakPolarHBondContact CB-O 3.45Å; L131-D153 PolarHBondContact N-O 3.35Å; S132-D153 PolarHBondContact N-O 3.37Å; Y151-D153 HydrophobicContact CE1-CB 3.57Å; Y151-D153 PolarHBondContact OH-OD2 2.84Å; Y151-D153 VanDerWaalsContact OH-OD2 3.13Å; D153-S155 VanDerWaalsContact OD1-CB 3.23Å; D153-S155 WeakPolarHBondContact OD1-CB 3.43Å; D153-S155 PolarHBondContact OD1-N 2.83Å; D153-S155 PolarHBondContact OD1-OG 2.84Å; D153-K224 HydrophobicContact CB-CB 4.25Å; D153-K224 WeakPolarHBondContact OD2-CD 3.48Å
154	I	96.8	Very high	84	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.			trans	-122.7	18	177.5	59.5	176.5	0	0	0	110.7	L131 L139 L152 N157 L159 L210 L223 K224 M225 C228	L131-I154 HydrophobicContact CB-CG2 4.23Å; L131-I154 HydrophobicContact CD1-CG2 4.24Å; L139-I154 HydrophobicContact CD1-CD1 4.01Å; L139-I154 HydrophobicContact CD1-CG2 4.14Å; L139-I154 HydrophobicContact CD2-CG2 4.03Å; L152-I154 HydrophobicContact CD1-CG2 3.78Å; L152-I154 HydrophobicContact CD2-CG2 4.33Å; L152-I154 HydrophobicContact CG-CG2 3.93Å; I154-N157 PolarHBondContact O-ND2 3.03Å; I154-L159 HydrophobicContact CD1-CD1 3.81Å; I154-L159 HydrophobicContact CG1-CD1 4.39Å; I154-L210 HydrophobicContact CD1-CD2 3.78Å; I154-L223 HydrophobicContact CD1-CD1 4.32Å; I154-L223 HydrophobicContact CG1-CD1 4.43Å; I154-K224 VanDerWaalsContact CG1-O 3.25Å; I154-K224 WeakPolarHBondContact CG1-O 3.39Å; I154-K224 PolarHBondContact N-O 3.38Å; I154-M225 HydrophobicContact CD1-CB 3.92Å; I154-M225 HydrophobicContact CG1-CB 3.71Å; I154-C228 PolarHBondContact O-SG 2.81Å
155	S	97.2	Very high	81.2	Confident	8 Å²	8	49.5 Å²	49.5	6%	0.056	26%	0.261	C	S	.	.			trans	-59.4	155.7	179	59.3	0	0	0	0	112.4	S132 N133 D153 N157 K224 S226	S132-S155 CarbonylContact C-O 3.41Å; S132-S155 WeakPolarHBondContact CA-O 3.48Å; S132-S155 WeakPolarHBondContact CB-O 3.48Å; S132-S155 VanDerWaalsContact CB-OG 3.23Å; S132-S155 WeakPolarHBondContact CB-OG 3.45Å; N133-S155 PolarHBondContact N-O 3.03Å; D153-S155 VanDerWaalsContact OD1-CB 3.23Å; D153-S155 WeakPolarHBondContact OD1-CB 3.43Å; D153-S155 PolarHBondContact OD1-N 2.83Å; D153-S155 PolarHBondContact OD1-OG 2.84Å; S155-N157 PolarHBondContact O-N 3.16Å; S155-N157 PolarHBondContact O-ND2 3.17Å; S155-K224 PolarHBondContact N-O 2.83Å; S155-S226 CarbonylContact C-O 3.54Å; S155-S226 WeakPolarHBondContact CA-O 3.08Å; S155-S226 WeakPolarHBondContact CB-O 3.27Å; S155-S226 WeakPolarHBondContact CB-OG 3.38Å
156	H	95.6	Very high	78.3	Confident	84 Å²	84	51.7 Å²	51.7	39%	0.389	28%	0.279	S	S	.	.	S	Bend	trans	54.5	55.2	178.2	-56	-88.9	0	0	0	112.5	N133 N134 S226 S227	N133-H156 VanDerWaalsContact CA-O 3.28Å; N133-H156 WeakPolarHBondContact CA-O 3.22Å; N133-H156 HydrophobicContact CB-CB 4.49Å; N133-H156 PolarHBondContact N-O 3.26Å; N133-H156 WeakPolarHBondContact OD1-CB 3.19Å; N134-H156 PolarHBondContact N-O 3.36Å; N134-H156 VanDerWaalsContact O-O 3.13Å; H156-S226 PolarHBondContact N-O 3.42Å; H156-S227 WeakPolarHBondContact CA-O 3.19Å
157	N	94.4	Very high	75.4	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.011	32%	0.315	C	S	.	.	S	Bend	trans	-130.3	172	175.2	-84.3	-73.9	0	0	0	110.2	L131 N134 L136 I154 S155 L159 C228	L131-N157 PolarHBondContact O-ND2 3.48Å; N134-N157 WeakPolarHBondContact CA-OD1 3.44Å; N134-N157 WeakPolarHBondContact CB-OD1 3.38Å; N134-N157 PolarHBondContact O-OD1 3.25Å; N134-N157 VanDerWaalsContact O-OD1 3.12Å; L136-N157 HydrophobicContact CB-CB 4.13Å; L136-N157 WeakPolarHBondContact CB-OD1 3.37Å; L136-N157 WeakPolarHBondContact CG-OD1 3.14Å; L136-N157 PolarHBondContact N-OD1 2.83Å; I154-N157 PolarHBondContact O-ND2 3.03Å; S155-N157 PolarHBondContact O-N 3.16Å; S155-N157 PolarHBondContact O-ND2 3.17Å; N157-L159 HydrophobicContact CB-CG 4.2Å; N157-L159 PolarHBondContact O-N 3.24Å; N157-C228 CarbonylContact O-C 3.22Å; N157-C228 VanDerWaalsContact O-CA 3.27Å; N157-C228 WeakPolarHBondContact O-CA 3.38Å
158	N	89.7	Confident	72.3	Confident	78 Å²	78	60.8 Å²	60.8	42%	0.417	34%	0.342	S	S	.	.			trans	-99.4	45.1	-175.2	-66.8	-36.3	0	0	0	113	L136 N137 R160	L136-N158 CarbonylContact O-C 3.15Å; L136-N158 WeakPolarHBondContact O-CA 3.24Å; L136-N158 PolarHBondContact O-N 3.42Å; N137-N158 WeakPolarHBondContact OD1-CB 3.38Å; N158-R160 PolarHBondContact O-N 3.16Å
159	L	87.8	Confident	69.3	Low	2 Å²	2	64.4 Å²	64.4	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	22.9	-176.3	-54.8	175.8	0	0	0	113.3	L136 I154 N157 G161 Q209 L210 C228 L230	L136-L159 HydrophobicContact CB-CD2 4.4Å; L136-L159 WeakPolarHBondContact O-CD2 3.38Å; L136-L159 PolarHBondContact O-N 3.42Å; I154-L159 HydrophobicContact CD1-CD1 3.81Å; I154-L159 HydrophobicContact CG1-CD1 4.39Å; N157-L159 HydrophobicContact CB-CG 4.2Å; N157-L159 PolarHBondContact O-N 3.24Å; L159-G161 PolarHBondContact O-N 3.13Å; L159-Q209 HydrophobicContact CB-CB 4.39Å; L159-Q209 WeakPolarHBondContact O-CG 3.42Å; L159-Q209 PolarHBondContact O-NE2 3.09Å; L159-Q209 PolarHBondContact O-OE1 3.03Å; L159-L210 HydrophobicContact CD1-CD2 4.35Å; L159-C228 CarbonylContact C-O 3.45Å; L159-C228 HydrophobicContact CB-CB 4.13Å; L159-C228 HydrophobicContact CD1-CB 4.26Å; L159-C228 HydrophobicContact CG-CB 4.42Å; L159-C228 PolarHBondContact N-O 3.48Å; L159-L230 HydrophobicContact CB-CD2 4.07Å; L159-L230 WeakPolarHBondContact O-CD2 3.06Å
160	R	76.8	Confident	66	Low	105 Å²	105	69.9 Å²	69.9	40%	0.396	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23	177.9	-169.5	-158.2	179	115.6	-6.1	113.4	N158 Q209 C228 D229	N158-R160 PolarHBondContact O-N 3.16Å; R160-Q209 PolarHBondContact O-NE2 3.02Å; R160-C228 PolarHBondContact N-O 3.15Å; R160-D229 HydrophobicContact CB-CB 4.08Å; R160-D229 WeakPolarHBondContact CB-O 3.33Å; R160-D229 WeakPolarHBondContact CD-OD2 3.46Å; R160-D229 HydrophobicContact CG-CB 4.39Å; R160-D229 WeakPolarHBondContact CG-O 3.42Å; R160-D229 VanDerWaalsContact CG-OD2 3.29Å; R160-D229 WeakPolarHBondContact CG-OD2 3.48Å; R160-D229 IonicContact CZ-OD2 3.78Å; R160-D229 IonicContact NE-OD2 3.61Å; R160-D229 IonicContact NH1-OD1 3.85Å; R160-D229 IonicContact NH1-OD2 2.81Å; R160-D229 PolarHBondContact NH1-OD2 2.95Å
161	G	62.6	Low	62.8	Low	19 Å²	19	75.4 Å²	75.4	20%	0.196	43%	0.43	C	S	.	.			trans	75.8	155	-167.8	0	0	0	0	0	112.4	L159 T163	L159-G161 PolarHBondContact O-N 3.13Å; G161-T163 PolarHBondContact O-N 2.93Å
162	S	45.5	Very low	59.7	Low	62 Å²	62	80 Å²	80	43%	0.434	46%	0.457	S	S	.	.			trans	-63.4	123.1	-177.6	44.5	0	0	0	0	111.5	E164 H207	S162-E164 VanDerWaalsContact C-N 3.32Å; S162-H207 PolarHBondContact OG-CD2 2.96Å; S162-H207 PolarHBondContact OG-CE1 3.34Å; S162-H207 PolarHBondContact OG-ND1 3.03Å; S162-H207 PolarHBondContact OG-NE2 3.49Å
163	T	39.9	Very low	56.4	Low	86 Å²	86	83.6 Å²	83.6	53%	0.528	50%	0.495	S	S	.	.			trans	-93.8	7.6	163.8	55.4	0	0	0	0	112.6	G161 V165	G161-T163 PolarHBondContact O-N 2.93Å; T163-V165 VanDerWaalsContact C-N 3.31Å; T163-V165 PolarHBondContact O-N 3.28Å
164	E	31.2	Very low	53.1	Low	151 Å²	151	89.7 Å²	89.7	71%	0.706	53%	0.526	S	S	*	.			trans	-68	94	174.4	-71.5	-174.1	170.7	0	0	109.4	S162 P166	S162-E164 VanDerWaalsContact C-N 3.32Å; E164-P166 VanDerWaalsContact O-CD 3.22Å; E164-P166 WeakPolarHBondContact O-CD 3.48Å
165	V	34	Very low	50	Low	128 Å²	128	95.5 Å²	95.5	78%	0.776	56%	0.563	S	S	*	*			trans	-57.6	113.3	159.4	-159.3	0	0	0	0	105.6	T163 G167	T163-V165 VanDerWaalsContact C-N 3.31Å; T163-V165 PolarHBondContact O-N 3.28Å; V165-G167 PolarHBondContact O-N 2.76Å
166	P	31.5	Very low	46.6	Very low	123 Å²	123	103.5 Å²	103.5	80%	0.799	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	121.7	-178.9	-18.4	31	0	0	0	109	E164	E164-P166 VanDerWaalsContact O-CD 3.22Å; E164-P166 WeakPolarHBondContact O-CD 3.48Å
167	G	32	Very low	43.3	Very low	73 Å²	73	108.4 Å²	108.4	75%	0.753	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.5	-6.6	174.7	0	0	0	0	0	117.6	V165	V165-G167 PolarHBondContact O-N 2.76Å
168	M	27.2	Very low	40.1	Very low	179 Å²	179	115.1 Å²	115.1	88%	0.882	66%	0.658	S	S	*	*	S	Bend	trans	-137.5	53.9	-178.4	-71.2	172.7	71.5	0	0	112.4
169	N	27.9	Very low	37.2	Very low	139 Å²	139	117.3 Å²	117.3	74%	0.743	68%	0.675	S	S	*	*	S	Bend	trans	-148	116.8	156.6	-84.4	-32.2	0	0	0	108.6
170	S	27.3	Very low	34.3	Very low	115 Å²	115	123.8 Å²	123.8	80%	0.804	71%	0.709	S	S	*	*			trans	50.9	85.7	169.2	-70	0	0	0	0	117.3
171	I	29.8	Very low	32	Very low	168 Å²	168	127.4 Å²	127.4	86%	0.862	73%	0.731	S	S	*	*			trans	-110.6	112.1	140.9	-50.9	174.4	0	0	0	105.8	G173	I171-G173 PolarHBondContact O-N 3.2Å
172	D	31.6	Very low	30.2	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	75%	0.754	S	S	*	*			trans	-45.7	122.8	176.2	-69.4	-55.5	0	0	0	111.6	I174	D172-I174 PolarHBondContact O-N 3.08Å
173	G	28	Very low	29.3	Very low	76 Å²	76	134.5 Å²	134.5	78%	0.784	77%	0.766	S	S	*	*	S	Bend	trans	48.4	64.9	149.2	0	0	0	0	0	118.8	I171	I171-G173 PolarHBondContact O-N 3.2Å
174	I	28.6	Very low	28.9	Very low	139 Å²	139	139.8 Å²	139.8	71%	0.713	78%	0.784	S	S	*	*			trans	-138.1	110.3	149.2	-51.2	177.7	0	0	0	109.7	D172 M176	D172-I174 PolarHBondContact O-N 3.08Å; I174-M176 PolarHBondContact O-N 3.19Å
175	P	30.7	Very low	28.7	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	79%	0.791	S	S	*	*			trans	-73.6	100.7	178.7	28.9	-29.7	0	0	0	109.2	K177	P175-K177 PolarHBondContact O-N 3.19Å
176	M	26.1	Very low	28.5	Very low	177 Å²	177	143 Å²	143	87%	0.872	79%	0.794	S	S	*	*			trans	-68.1	103.7	173	-85.8	-69	-170.9	0	0	109.5	I174 N178	I174-M176 PolarHBondContact O-N 3.19Å; M176-N178 PolarHBondContact O-N 3.35Å
177	K	27.7	Very low	28.3	Very low	187 Å²	187	144.9 Å²	144.9	81%	0.813	80%	0.797	S	S	*	*			trans	-51.1	115.6	170.1	-96.3	176.2	171.6	176.1	0	110	P175 T179	P175-K177 PolarHBondContact O-N 3.19Å; K177-T179 PolarHBondContact O-N 2.88Å
178	N	27.1	Very low	28.3	Very low	142 Å²	142	151 Å²	151	76%	0.759	80%	0.803	S	S	*	*			trans	-54.5	98.7	167.3	-141.6	6.9	0	0	0	109.1	M176	M176-N178 PolarHBondContact O-N 3.35Å
179	T	28.2	Very low	28.3	Very low	125 Å²	125	147.8 Å²	147.8	77%	0.767	80%	0.798	S	S	*	*			trans	-112.3	90.1	168.4	38.5	0	0	0	0	107.5	K177 E181	K177-T179 PolarHBondContact O-N 2.88Å; T179-E181 VanDerWaalsContact C-N 3.32Å; T179-E181 PolarHBondContact O-N 2.96Å
180	N	26.8	Very low	28.2	Very low	137 Å²	137	147.5 Å²	147.5	73%	0.733	80%	0.802	S	S	*	*			trans	-68.1	89.2	166.9	-77	-32.6	0	0	0	108.9
181	E	29.2	Very low	28.2	Very low	182 Å²	182	149 Å²	149	85%	0.85	80%	0.8	S	S	*	*			trans	-134.3	86.5	158.9	-71.3	-164.9	165.6	0	0	107.2	T179	T179-E181 VanDerWaalsContact C-N 3.32Å; T179-E181 PolarHBondContact O-N 2.96Å
182	S	25.1	Very low	28	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	80%	0.798	S	S	*	*				63.8	101.7	91.5	-68.2	0	0	0	0	114.8
183	I	26.7	Very low	27.7	Very low	131 Å²	131	149.2 Å²	149.2	67%	0.672	80%	0.802	S	S	*	*			trans	70.5	108.9	132.5	-53.3	160.7	0	0	0	116.8
184	H	31	Very low	27.5	Very low	197 Å²	197	152.3 Å²	152.3	91%	0.912	80%	0.8	S	S	*	*				-150.5	118.3	126.8	-94.4	-60.9	0	0	0	113
185	R	27.4	Very low	27.3	Very low	226 Å²	226	151.8 Å²	151.8	85%	0.853	80%	0.799	S	S	*	*			trans	-63	142.1	175	-67.6	166.1	168.6	176.7	-3.8	112.2
186	S	29.8	Very low	27.1	Very low	119 Å²	119	152.4 Å²	152.4	83%	0.832	80%	0.796	S	S	*	*			trans	-153.9	76.2	143.5	53.1	0	0	0	0	111.4
187	N	25.7	Very low	27.2	Very low	164 Å²	164	150.9 Å²	150.9	88%	0.877	79%	0.791	S	S	*	*			trans	-90	106.3	164.6	-79.1	-20.3	0	0	0	109.2
188	K	33.1	Very low	27	Very low	200 Å²	200	150.5 Å²	150.5	87%	0.87	79%	0.792	S	S	*	*			trans	-116.6	105.3	156.8	-79.5	179.6	172.8	178.4	0	105.1
189	S	26.2	Very low	27.3	Very low	112 Å²	112	150.8 Å²	150.8	78%	0.783	79%	0.793	S	S	*	*				41.7	120.3	92.9	-57.6	0	0	0	0	111.2
190	V	26.7	Very low	27.2	Very low	134 Å²	134	152.9 Å²	152.9	81%	0.812	79%	0.794	S	S	*	*				-162.6	150.2	51.7	-177.3	0	0	0	0	109.5
191	D	27.3	Very low	27.5	Very low	146 Å²	146	150.7 Å²	150.7	78%	0.781	80%	0.795	S	S	*	*			trans	-41.6	146.4	164.4	-69.9	-55.5	0	0	0	114.5
192	L	24.7	Very low	27.5	Very low	154 Å²	154	149.7 Å²	149.7	81%	0.806	80%	0.795	S	S	*	*				171.3	109.7	122.4	-86.8	160	0	0	0	110
193	L	25.4	Very low	27.6	Very low	164 Å²	164	148.6 Å²	148.6	86%	0.859	80%	0.8	S	S	*	*			trans	15.1	114.9	135.4	-67.6	135.3	0	0	0	116.1
194	N	24.6	Very low	28.1	Very low	141 Å²	141	151.2 Å²	151.2	75%	0.754	81%	0.807	S	S	*	*				168.7	117.9	116.2	-158.1	13.1	0	0	0	109.9
195	N	24.4	Very low	28.3	Very low	129 Å²	129	147.4 Å²	147.4	69%	0.69	79%	0.792	S	S	*	*			trans	36.1	128.6	144	-74.8	-15.2	0	0	0	121.3
196	N	25.4	Very low	29	Very low	135 Å²	135	142.9 Å²	142.9	72%	0.722	79%	0.785	S	S	*	*			trans	94.9	115.1	146.8	-53.2	-24.3	0	0	0	116.6
197	N	28.2	Very low	29.9	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	76%	0.762	S	S	*	*			trans	70.8	75.2	154	-56.6	-9.6	0	0	0	116.1
198	H	24.5	Very low	31.3	Very low	180 Å²	180	137.4 Å²	137.4	83%	0.833	75%	0.747	S	S	*	*			trans	-128.9	78.9	136.3	-98.2	-46.3	0	0	0	109.4	H200	H198-H200 VanDerWaalsContact C-N 3.25Å; H198-H200 PolarHBondContact O-N 3.38Å; H198-H200 VanDerWaalsContact O-N 3.09Å
199	D	33.1	Very low	33.5	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	71%	0.709	S	S	*	*			trans	-47.9	104.8	131.7	-82.6	-35.4	0	0	0	106.4
200	H	26.7	Very low	36.5	Very low	170 Å²	170	123.6 Å²	123.6	79%	0.787	67%	0.673	S	S	*	*			trans	175.1	130.3	146.2	-87.3	-53	0	0	0	109.4	H198	H198-H200 VanDerWaalsContact C-N 3.25Å; H198-H200 PolarHBondContact O-N 3.38Å; H198-H200 VanDerWaalsContact O-N 3.09Å
201	A	31.8	Very low	39.6	Very low	91 Å²	91	117.7 Å²	117.7	75%	0.752	64%	0.638	S	S	*	*	S	Bend	trans	75	58.2	163	0	0	0	0	0	117.5
202	N	29.1	Very low	42.6	Very low	160 Å²	160	118.2 Å²	118.2	86%	0.856	63%	0.633	S	S	*	*			trans	-145.3	70.7	131.9	-90.5	-26.2	0	0	0	108	K204	N202-K204 PolarHBondContact O-N 3.5Å
203	G	28.7	Very low	45.8	Very low	77 Å²	77	114.4 Å²	114.4	79%	0.794	61%	0.614	S	S	*	*			trans	-67.8	53.1	168.1	0	0	0	0	0	111.2	L205	G203-L205 PolarHBondContact O-N 3.16Å
204	K	35.7	Very low	49	Very low	186 Å²	186	106.6 Å²	106.6	81%	0.809	57%	0.573	S	S	*	*			trans	-76	77.1	173.4	-165.7	178.8	-168.7	176.3	0	105.7	N202 D206	N202-K204 PolarHBondContact O-N 3.5Å; K204-D206 PolarHBondContact O-N 3.13Å
205	L	35.1	Very low	52.3	Low	117 Å²	117	103.1 Å²	103.1	61%	0.613	55%	0.554	S	S	*	*			trans	-6.3	95.5	171.2	-66.6	146	0	0	0	110.5	G203 H207	G203-L205 PolarHBondContact O-N 3.16Å; L205-H207 WeakPolarHBondContact CB-CD2 3.2Å; L205-H207 WeakPolarHBondContact CB-NE2 2.97Å; L205-H207 VanDerWaalsContact CD1-NE2 3.31Å; L205-H207 WeakPolarHBondContact CD1-NE2 3.41Å; L205-H207 PolarHBondContact O-CD2 2.97Å; L205-H207 PolarHBondContact O-N 3.09Å
206	D	42.7	Very low	55.6	Low	131 Å²	131	102.1 Å²	102.1	70%	0.701	54%	0.54	S	S	*	.			trans	-60.8	74.5	153.4	-72.4	-31.7	0	0	0	104.2	K204 V208	K204-D206 PolarHBondContact O-N 3.13Å; D206-V208 VanDerWaalsContact O-CG2 3.3Å; D206-V208 WeakPolarHBondContact O-CG2 3.1Å; D206-V208 PolarHBondContact O-N 3.04Å
207	H	49.4	Very low	59	Low	74 Å²	74	95.7 Å²	95.7	34%	0.343	51%	0.506	S	S	.	.			trans	-57.8	108.3	-178.5	-84.2	-78.7	0	0	0	104.7	S162 L205 Q209	S162-H207 PolarHBondContact OG-CD2 2.96Å; S162-H207 PolarHBondContact OG-CE1 3.34Å; S162-H207 PolarHBondContact OG-ND1 3.03Å; S162-H207 PolarHBondContact OG-NE2 3.49Å; L205-H207 WeakPolarHBondContact CB-CD2 3.2Å; L205-H207 WeakPolarHBondContact CB-NE2 2.97Å; L205-H207 VanDerWaalsContact CD1-NE2 3.31Å; L205-H207 WeakPolarHBondContact CD1-NE2 3.41Å; L205-H207 PolarHBondContact O-CD2 2.97Å; L205-H207 PolarHBondContact O-N 3.09Å; H207-Q209 VanDerWaalsContact C-N 3.31Å; H207-Q209 WeakPolarHBondContact O-CG 3.24Å; H207-Q209 PolarHBondContact O-N 3.4Å
208	V	54.5	Low	62.1	Low	94 Å²	94	93.5 Å²	93.5	57%	0.57	49%	0.493	S	S	*	.			trans	-67.1	91.5	-168.7	177.3	0	0	0	0	107.1	D206 L210	D206-V208 VanDerWaalsContact O-CG2 3.3Å; D206-V208 WeakPolarHBondContact O-CG2 3.1Å; D206-V208 PolarHBondContact O-N 3.04Å; V208-L210 VanDerWaalsContact C-N 3.28Å; V208-L210 WeakPolarHBondContact CG1-O 3.48Å
209	Q	78.4	Confident	65.5	Low	16 Å²	16	87.7 Å²	87.7	8%	0.075	47%	0.469	C	S	.	.	S	Bend	trans	-69.8	-31.8	-178.9	-66.2	150.1	-0.5	0	0	111.4	Y138 L139 L159 R160 H207	Y138-Q209 CarbonylContact C-O 3.52Å; Y138-Q209 WeakPolarHBondContact CA-O 3.49Å; L139-Q209 PolarHBondContact N-O 3.01Å; L159-Q209 HydrophobicContact CB-CB 4.39Å; L159-Q209 WeakPolarHBondContact O-CG 3.42Å; L159-Q209 PolarHBondContact O-NE2 3.09Å; L159-Q209 PolarHBondContact O-OE1 3.03Å; R160-Q209 PolarHBondContact O-NE2 3.02Å; H207-Q209 VanDerWaalsContact C-N 3.31Å; H207-Q209 WeakPolarHBondContact O-CG 3.24Å; H207-Q209 PolarHBondContact O-N 3.4Å
210	L	90.2	Very high	68.6	Low	6 Å²	6	80.7 Å²	80.7	3%	0.031	43%	0.431	C	S	.	.	S	Bend	trans	-122.3	135.2	176.2	-59.9	176.4	0	0	0	107.8	L139 I154 L159 V208 M214 M225 P234 I236 V237	L139-L210 HydrophobicContact CB-CD2 4.38Å; L139-L210 HydrophobicContact CD1-CD2 3.54Å; L139-L210 HydrophobicContact CG-CD2 3.91Å; I154-L210 HydrophobicContact CD1-CD2 3.78Å; L159-L210 HydrophobicContact CD1-CD2 4.35Å; V208-L210 VanDerWaalsContact C-N 3.28Å; V208-L210 WeakPolarHBondContact CG1-O 3.48Å; L210-M214 HydrophobicContact CB-CE 4.13Å; L210-M214 HydrophobicContact CB-SD 3.97Å; L210-M214 HydrophobicContact CD1-CE 3.79Å; L210-M214 HydrophobicContact CD1-SD 4.35Å; L210-M214 HydrophobicContact CD2-SD 4.23Å; L210-M214 HydrophobicContact CG-CE 4.42Å; L210-M214 HydrophobicContact CG-SD 4.41Å; L210-M225 HydrophobicContact CD1-CE 4.08Å; L210-P234 HydrophobicContact CD1-CB 4.32Å; L210-P234 HydrophobicContact CD1-CG 4.03Å; L210-P234 HydrophobicContact CG-CG 4.47Å; L210-I236 HydrophobicContact CB-CG2 4.02Å; L210-V237 HydrophobicContact CD1-CG2 3.65Å
211	P	91.3	Very high	72	Confident	10 Å²	10	76.5 Å²	76.5	7%	0.065	41%	0.411	C	S	.	.			trans	-59.9	142.2	-173.6	21.5	-30	0	0	0	111.8	I143 C144 D213 M214	I143-P211 HydrophobicContact CG2-CG 3.57Å; C144-P211 WeakPolarHBondContact SG-CG 3.42Å; P211-D213 PolarHBondContact O-N 2.96Å; P211-D213 VanDerWaalsContact O-N 3.09Å; P211-M214 HydrophobicContact CG-CB 4.18Å; P211-M214 VanDerWaalsContact O-CB 3.28Å; P211-M214 WeakPolarHBondContact O-CB 3.43Å; P211-M214 PolarHBondContact O-N 3.27Å; P211-M214 VanDerWaalsContact O-N 3.11Å
212	K	90.1	Very high	75.2	Confident	156 Å²	156	73.2 Å²	73.2	68%	0.678	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.8	-175	65.5	177	-175.3	176.1	0	114.5	I236	K212-I236 WeakPolarHBondContact O-CD1 3.22Å
213	D	91.4	Very high	78.5	Confident	75 Å²	75	65.6 Å²	65.6	40%	0.401	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	20.1	-177.5	-55.1	-52.5	0	0	0	111.8	C144 P211 N215 R216	C144-D213 VanDerWaalsContact SG-C 3.6Å; P211-D213 PolarHBondContact O-N 2.96Å; P211-D213 VanDerWaalsContact O-N 3.09Å; D213-N215 VanDerWaalsContact C-OD1 3.23Å; D213-N215 WeakPolarHBondContact CA-OD1 3.17Å; D213-N215 PolarHBondContact O-N 3.04Å; D213-N215 VanDerWaalsContact O-N 3.12Å; D213-N215 PolarHBondContact O-OD1 3.35Å; D213-R216 HydrophobicContact CB-CG 4.33Å; D213-R216 VanDerWaalsContact O-CB 3.26Å; D213-R216 WeakPolarHBondContact O-CB 3.37Å; D213-R216 VanDerWaalsContact O-CG 3.28Å; D213-R216 WeakPolarHBondContact O-CG 3.25Å; D213-R216 PolarHBondContact O-N 2.99Å
214	M	93.8	Very high	81.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-63.7	-16.4	-179.3	-165.3	176.5	73	0	0	112.9	L210 P211 R216 L217 L223 I236 V237 I240	L210-M214 HydrophobicContact CB-CE 4.13Å; L210-M214 HydrophobicContact CB-SD 3.97Å; L210-M214 HydrophobicContact CD1-CE 3.79Å; L210-M214 HydrophobicContact CD1-SD 4.35Å; L210-M214 HydrophobicContact CD2-SD 4.23Å; L210-M214 HydrophobicContact CG-CE 4.42Å; L210-M214 HydrophobicContact CG-SD 4.41Å; P211-M214 HydrophobicContact CG-CB 4.18Å; P211-M214 VanDerWaalsContact O-CB 3.28Å; P211-M214 WeakPolarHBondContact O-CB 3.43Å; P211-M214 PolarHBondContact O-N 3.27Å; P211-M214 VanDerWaalsContact O-N 3.11Å; M214-R216 PolarHBondContact O-N 3.26Å; M214-L217 HydrophobicContact CG-CD1 3.78Å; M214-L217 HydrophobicContact CG-CG 4.48Å; M214-L217 WeakPolarHBondContact O-CB 3.5Å; M214-L217 WeakPolarHBondContact O-CG 3.29Å; M214-L217 PolarHBondContact O-N 3.38Å; M214-L217 VanDerWaalsContact O-N 3.16Å; M214-L223 HydrophobicContact CE-CD2 4.45Å; M214-I236 HydrophobicContact CB-CG1 3.76Å; M214-I236 HydrophobicContact CE-CG2 3.97Å; M214-V237 HydrophobicContact CE-CG2 4.08Å; M214-I240 HydrophobicContact CE-CD1 3.43Å; M214-I240 VanDerWaalsContact CE-CD1 3.43Å; M214-I240 HydrophobicContact CE-CG1 4.49Å; M214-I240 HydrophobicContact CG-CD1 4.15Å; M214-I240 HydrophobicContact SD-CD1 4.44Å
215	N	93.2	Very high	84.7	Confident	67 Å²	67	56.4 Å²	56.4	36%	0.358	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-63.6	-11.4	168.1	65.7	-28.7	0	0	0	113.9	D213 L217 I236 Q239	D213-N215 VanDerWaalsContact C-OD1 3.23Å; D213-N215 WeakPolarHBondContact CA-OD1 3.17Å; D213-N215 PolarHBondContact O-N 3.04Å; D213-N215 VanDerWaalsContact O-N 3.12Å; D213-N215 PolarHBondContact O-OD1 3.35Å; N215-L217 PolarHBondContact O-N 2.88Å; N215-I236 HydrophobicContact CB-CD1 3.93Å; N215-Q239 HydrophobicContact CB-CB 3.95Å
216	R	94.8	Very high	87.6	Confident	108 Å²	108	51.3 Å²	51.3	41%	0.408	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-66.5	-15	169.7	-70.2	176.1	64.4	-148.7	-7.6	113.4	D145 D213 M214 I218	D145-R216 IonicContact OD1-CZ 3.14Å; D145-R216 VanDerWaalsContact OD1-CZ 3.3Å; D145-R216 IonicContact OD1-NH1 2.75Å; D145-R216 PolarHBondContact OD1-NH1 3.33Å; D145-R216 IonicContact OD1-NH2 2.89Å; D145-R216 PolarHBondContact OD1-NH2 3.36Å; D213-R216 HydrophobicContact CB-CG 4.33Å; D213-R216 VanDerWaalsContact O-CB 3.26Å; D213-R216 WeakPolarHBondContact O-CB 3.37Å; D213-R216 VanDerWaalsContact O-CG 3.28Å; D213-R216 WeakPolarHBondContact O-CG 3.25Å; D213-R216 PolarHBondContact O-N 2.99Å; M214-R216 PolarHBondContact O-N 3.26Å; R216-I218 PolarHBondContact O-N 3.43Å
217	L	95.5	Very high	90.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.			trans	-75.3	63.2	175.3	-60.5	179.1	0	0	0	111.5	I143 M146 M214 N215 N219 L220 S242	I143-L217 WeakPolarHBondContact O-CD2 3.24Å; M146-L217 WeakPolarHBondContact O-CD2 3.31Å; M214-L217 HydrophobicContact CG-CD1 3.78Å; M214-L217 HydrophobicContact CG-CG 4.48Å; M214-L217 WeakPolarHBondContact O-CB 3.5Å; M214-L217 WeakPolarHBondContact O-CG 3.29Å; M214-L217 PolarHBondContact O-N 3.38Å; M214-L217 VanDerWaalsContact O-N 3.16Å; N215-L217 PolarHBondContact O-N 2.88Å; L217-N219 PolarHBondContact O-N 3.02Å; L217-N219 VanDerWaalsContact O-N 3.1Å; L217-L220 HydrophobicContact CB-CB 3.89Å; L217-L220 HydrophobicContact CD1-CD2 4.12Å; L217-L220 WeakPolarHBondContact O-CB 3.15Å; L217-L220 PolarHBondContact O-N 3.33Å; L217-S242 PolarHBondContact O-OG 2.73Å
218	I	95	Very high	92.1	Very high	98 Å²	98	42.8 Å²	42.8	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	-173	60.9	174.2	0	0	0	114.4	R216 S242	R216-I218 PolarHBondContact O-N 3.43Å; I218-S242 WeakPolarHBondContact O-CB 3.38Å; I218-S242 PolarHBondContact O-OG 3.15Å
219	N	95.8	Very high	93.6	Very high	59 Å²	59	42.1 Å²	42.1	32%	0.316	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-6.4	177.7	-68.2	-45	0	0	0	112.9	I147 L149 Q150 L217 K221	I147-N219 PolarHBondContact O-ND2 3.04Å; L149-N219 CarbonylContact O-C 3.49Å; Q150-N219 WeakPolarHBondContact CA-O 3.4Å; Q150-N219 HydrophobicContact CG-CB 4.39Å; L217-N219 PolarHBondContact O-N 3.02Å; L217-N219 VanDerWaalsContact O-N 3.1Å; N219-K221 WeakPolarHBondContact O-CG 3.44Å; N219-K221 PolarHBondContact O-N 2.83Å; N219-K221 VanDerWaalsContact O-N 3.12Å
220	L	97.7	Very high	94.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.			trans	-68.7	114	-175.6	-167.9	75	0	0	0	110.3	L149 L152 L217 L223 I240 S242 L243	L149-L220 HydrophobicContact CB-CD1 4.45Å; L149-L220 HydrophobicContact CD2-CD1 4.21Å; L149-L220 HydrophobicContact CG-CD1 4.04Å; L149-L220 VanDerWaalsContact O-CA 3.23Å; L149-L220 WeakPolarHBondContact O-CA 3.43Å; L149-L220 PolarHBondContact O-N 3.31Å; L149-L220 VanDerWaalsContact O-N 3.08Å; L152-L220 HydrophobicContact CB-CD1 3.74Å; L152-L220 HydrophobicContact CB-CD2 4.48Å; L217-L220 HydrophobicContact CB-CB 3.89Å; L217-L220 HydrophobicContact CD1-CD2 4.12Å; L217-L220 WeakPolarHBondContact O-CB 3.15Å; L217-L220 PolarHBondContact O-N 3.33Å; L220-L223 HydrophobicContact CD2-CB 4.21Å; L220-I240 HydrophobicContact CB-CG2 4.07Å; L220-I240 HydrophobicContact CD2-CD1 4.09Å; L220-I240 HydrophobicContact CD2-CG2 4.28Å; L220-S242 CarbonylContact O-C 3.58Å; L220-S242 WeakPolarHBondContact O-CB 3.46Å; L220-S242 PolarHBondContact O-OG 3Å; L220-L243 HydrophobicContact CD2-CD2 4.15Å; L220-L243 HydrophobicContact CG-CD2 4.16Å; L220-L243 PolarHBondContact O-N 3.05Å
221	K	98.2	Very high	93.9	Very high	82 Å²	82	47.3 Å²	47.3	36%	0.357	23%	0.227	S	C	.	.			trans	-98.7	-39.4	-179.6	-58.5	-49.6	-175	-177	0	111.7	Q150 N219 S242 T244 K245	Q150-K221 PolarHBondContact O-N 3.42Å; N219-K221 WeakPolarHBondContact O-CG 3.44Å; N219-K221 PolarHBondContact O-N 2.83Å; N219-K221 VanDerWaalsContact O-N 3.12Å; K221-S242 VanDerWaalsContact CD-O 3.26Å; K221-S242 WeakPolarHBondContact CD-O 3.48Å; K221-T244 HydrophobicContact CD-CG2 4.22Å; K221-T244 PolarHBondContact O-N 2.97Å; K221-T244 PolarHBondContact O-OG1 3.14Å; K221-K245 PolarHBondContact O-N 3.04Å
222	T	98.6	Very high	93.8	Very high	22 Å²	22	51.8 Å²	51.8	14%	0.135	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.3	-178.8	-58.9	0	0	0	0	110.6	Q150 Y151 L152 K224 K245	Q150-T222 PolarHBondContact O-N 2.87Å; Y151-T222 WeakPolarHBondContact CA-O 3.34Å; Y151-T222 HydrophobicContact CD2-CG2 3.52Å; Y151-T222 HydrophobicContact CE2-CG2 3.57Å; L152-T222 PolarHBondContact N-O 3.29Å; T222-K224 HydrophobicContact CG2-CG 4.22Å; T222-K245 WeakPolarHBondContact CA-O 3.32Å; T222-K245 HydrophobicContact CG2-CB 4.08Å
223	L	98.4	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.2	168.8	176.2	62.1	0	0	0	109.3	L152 I154 M214 L220 M225 V237 I240 L243 K245 L246 D247	L152-L223 HydrophobicContact CB-CD1 4.14Å; L152-L223 HydrophobicContact CD2-CD1 4.03Å; L152-L223 HydrophobicContact CG-CD1 4.07Å; L152-L223 WeakPolarHBondContact O-CA 3.27Å; I154-L223 HydrophobicContact CD1-CD1 4.32Å; I154-L223 HydrophobicContact CG1-CD1 4.43Å; M214-L223 HydrophobicContact CE-CD2 4.45Å; L220-L223 HydrophobicContact CD2-CB 4.21Å; L223-M225 HydrophobicContact CD2-SD 4.08Å; L223-M225 HydrophobicContact CG-SD 4.48Å; L223-V237 HydrophobicContact CD2-CG1 3.94Å; L223-V237 HydrophobicContact CD2-CG2 4.24Å; L223-I240 HydrophobicContact CD2-CD1 4.29Å; L223-L243 HydrophobicContact CB-CD1 4.41Å; L223-L243 HydrophobicContact CB-CD2 3.68Å; L223-K245 PolarHBondContact N-O 3Å; L223-L246 HydrophobicContact CB-CD1 4.16Å; L223-L246 HydrophobicContact CD2-CD1 4.14Å; L223-L246 HydrophobicContact CG-CD1 4.24Å; L223-L246 WeakPolarHBondContact O-CA 3.41Å; L223-D247 PolarHBondContact O-N 3.31Å
224	K	98.5	Very high	93.8	Very high	69 Å²	69	41.6 Å²	41.6	30%	0.3	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.8	170.8	-62	-174.9	-177.1	170.2	0	109.7	Y151 L152 D153 I154 S155 T222 D247	Y151-K224 WeakPolarHBondContact OH-CD 3.49Å; Y151-K224 VanDerWaalsContact OH-CE 3.28Å; Y151-K224 WeakPolarHBondContact OH-CE 3.39Å; Y151-K224 PolarHBondContact OH-NZ 2.87Å; L152-K224 PolarHBondContact O-N 2.86Å; D153-K224 HydrophobicContact CB-CB 4.25Å; D153-K224 WeakPolarHBondContact OD2-CD 3.48Å; I154-K224 VanDerWaalsContact CG1-O 3.25Å; I154-K224 WeakPolarHBondContact CG1-O 3.39Å; I154-K224 PolarHBondContact N-O 3.38Å; S155-K224 PolarHBondContact N-O 2.83Å; T222-K224 HydrophobicContact CG2-CG 4.22Å; K224-D247 HydrophobicContact CB-CB 4.26Å; K224-D247 HydrophobicContact CG-CB 4.03Å
225	M	96.1	Very high	93.7	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.			trans	-143.9	39	-178.9	59.9	178.7	-61.4	0	0	110.5	I154 L210 L223 C228 L230 I233 V237 D247 I248 N251	I154-M225 HydrophobicContact CD1-CB 3.92Å; I154-M225 HydrophobicContact CG1-CB 3.71Å; L210-M225 HydrophobicContact CD1-CE 4.08Å; L223-M225 HydrophobicContact CD2-SD 4.08Å; L223-M225 HydrophobicContact CG-SD 4.48Å; M225-C228 VanDerWaalsContact C-SG 3.57Å; M225-C228 PolarHBondContact O-SG 2.92Å; M225-C228 VanDerWaalsContact O-SG 3.34Å; M225-L230 HydrophobicContact CE-CD1 3.11Å; M225-I233 HydrophobicContact CE-CG2 4.48Å; M225-I233 HydrophobicContact SD-CG2 4.46Å; M225-V237 HydrophobicContact CE-CG2 4.28Å; M225-V237 HydrophobicContact SD-CG1 4.21Å; M225-V237 HydrophobicContact SD-CG2 3.67Å; M225-D247 CarbonylContact C-O 3.03Å; M225-D247 VanDerWaalsContact CG-O 3.29Å; M225-D247 WeakPolarHBondContact CG-O 3.45Å; M225-D247 PolarHBondContact N-O 2.89Å; M225-I248 HydrophobicContact CG-CG2 3.77Å; M225-I248 HydrophobicContact SD-CG2 3.9Å; M225-N251 PolarHBondContact O-ND2 3.03Å
226	S	95.6	Very high	93.7	Very high	11 Å²	11	46.5 Å²	46.5	8%	0.077	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	151.5	176.3	52.2	0	0	0	0	111.6	S155 H156 C228 S249	S155-S226 CarbonylContact C-O 3.54Å; S155-S226 WeakPolarHBondContact CA-O 3.08Å; S155-S226 WeakPolarHBondContact CB-O 3.27Å; S155-S226 WeakPolarHBondContact CB-OG 3.38Å; H156-S226 PolarHBondContact N-O 3.42Å; S226-C228 VanDerWaalsContact C-N 3.33Å; S226-C228 PolarHBondContact O-N 2.8Å; S226-C228 PolarHBondContact O-SG 2.96Å; S226-S249 CarbonylContact C-O 3.39Å; S226-S249 WeakPolarHBondContact CA-O 3.41Å; S226-S249 WeakPolarHBondContact CB-O 3.45Å
227	S	94.7	Very high	93.7	Very high	25 Å²	25	41.3 Å²	41.3	18%	0.175	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	44.5	174.7	-59.1	0	0	0	0	113.6	H156 S249 E250	H156-S227 WeakPolarHBondContact CA-O 3.19Å; S227-S249 PolarHBondContact N-O 3.28Å; S227-E250 WeakPolarHBondContact OG-CB 3.38Å
228	C	91.6	Very high	93.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-101.2	10.3	-179.1	-69.5	0	0	0	0	113.8	I154 N157 L159 R160 M225 S226 L230 N251	I154-C228 PolarHBondContact O-SG 2.81Å; N157-C228 CarbonylContact O-C 3.22Å; N157-C228 VanDerWaalsContact O-CA 3.27Å; N157-C228 WeakPolarHBondContact O-CA 3.38Å; L159-C228 CarbonylContact C-O 3.45Å; L159-C228 HydrophobicContact CB-CB 4.13Å; L159-C228 HydrophobicContact CD1-CB 4.26Å; L159-C228 HydrophobicContact CG-CB 4.42Å; L159-C228 PolarHBondContact N-O 3.48Å; R160-C228 PolarHBondContact N-O 3.15Å; M225-C228 VanDerWaalsContact C-SG 3.57Å; M225-C228 PolarHBondContact O-SG 2.92Å; M225-C228 VanDerWaalsContact O-SG 3.34Å; S226-C228 VanDerWaalsContact C-N 3.33Å; S226-C228 PolarHBondContact O-N 2.8Å; S226-C228 PolarHBondContact O-SG 2.96Å; C228-L230 HydrophobicContact CB-CD1 3.87Å; C228-L230 HydrophobicContact CB-CG 3.77Å; C228-L230 PolarHBondContact O-N 2.88Å; C228-N251 WeakPolarHBondContact CA-OD1 3.4Å; C228-N251 PolarHBondContact N-OD1 2.75Å; C228-N251 VanDerWaalsContact N-OD1 3.07Å
229	D	86.8	Confident	93.9	Very high	81 Å²	81	40.9 Å²	40.9	43%	0.433	20%	0.195	S	C	.	.			trans	51.4	34.5	-173.7	-166.8	30.2	0	0	0	113.4	R160 N251	R160-D229 HydrophobicContact CB-CB 4.08Å; R160-D229 WeakPolarHBondContact CB-O 3.33Å; R160-D229 WeakPolarHBondContact CD-OD2 3.46Å; R160-D229 HydrophobicContact CG-CB 4.39Å; R160-D229 WeakPolarHBondContact CG-O 3.42Å; R160-D229 VanDerWaalsContact CG-OD2 3.29Å; R160-D229 WeakPolarHBondContact CG-OD2 3.48Å; R160-D229 IonicContact CZ-OD2 3.78Å; R160-D229 IonicContact NE-OD2 3.61Å; R160-D229 IonicContact NH1-OD1 3.85Å; R160-D229 IonicContact NH1-OD2 2.81Å; R160-D229 PolarHBondContact NH1-OD2 2.95Å; D229-N251 PolarHBondContact N-OD1 2.92Å
230	L	87.8	Confident	94	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.18	C	C	.	.			trans	-77	130.6	-178.2	-62.3	168.1	0	0	0	111.2	L159 M225 C228 I233 N251 T253	L159-L230 HydrophobicContact CB-CD2 4.07Å; L159-L230 WeakPolarHBondContact O-CD2 3.06Å; M225-L230 HydrophobicContact CE-CD1 3.11Å; C228-L230 HydrophobicContact CB-CD1 3.87Å; C228-L230 HydrophobicContact CB-CG 3.77Å; C228-L230 PolarHBondContact O-N 2.88Å; L230-I233 HydrophobicContact CD1-CD1 4.02Å; L230-N251 HydrophobicContact CB-CB 3.96Å; L230-N251 WeakPolarHBondContact CB-OD1 3.18Å; L230-N251 WeakPolarHBondContact CG-OD1 3.36Å; L230-N251 PolarHBondContact N-OD1 2.82Å; L230-N251 VanDerWaalsContact N-OD1 3.12Å; L230-T253 WeakPolarHBondContact O-CG2 3.21Å
231	K	86.1	Confident	93.9	Very high	126 Å²	126	43.6 Å²	43.6	55%	0.548	21%	0.208	S	C	.	.	S	Bend	trans	-76.3	-26	170.5	-69.4	-175.9	179.1	176.1	0	113.2	T253	K231-T253 WeakPolarHBondContact O-CA 3.39Å
232	F	89.6	Confident	93.9	Very high	104 Å²	104	40.2 Å²	40.2	46%	0.456	20%	0.195	S	C	.	.	S	Bend	trans	-151.1	149	174.5	52.5	-93.5	0	0	0	108.2	P234 T253	F232-P234 WeakPolarHBondContact O-CD 3.43Å; F232-T253 VanDerWaalsContact CA-CG2 3.49Å
233	I	91.4	Very high	93.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	19%	0.188	C	C	.	.			trans	-76.5	122.3	172.1	-54.7	-53.6	0	0	0	108.2	M225 L230 K235 V237 F238 I248 N251 T253 M274	M225-I233 HydrophobicContact CE-CG2 4.48Å; M225-I233 HydrophobicContact SD-CG2 4.46Å; L230-I233 HydrophobicContact CD1-CD1 4.02Å; I233-K235 PolarHBondContact O-N 2.6Å; I233-V237 HydrophobicContact CG2-CB 4.11Å; I233-V237 HydrophobicContact CG2-CG1 4.24Å; I233-V237 HydrophobicContact CG2-CG2 4.14Å; I233-F238 HydrophobicContact CB-CE2 3.92Å; I233-F238 HydrophobicContact CB-CZ 3.92Å; I233-F238 HydrophobicContact CG2-CE2 3.62Å; I233-F238 HydrophobicContact CG2-CZ 3.58Å; I233-I248 HydrophobicContact CD1-CB 3.9Å; I233-I248 HydrophobicContact CD1-CG2 4Å; I233-I248 HydrophobicContact CG1-CB 4.24Å; I233-I248 HydrophobicContact CG1-CD1 4.28Å; I233-I248 HydrophobicContact CG1-CG2 4.22Å; I233-I248 HydrophobicContact CG2-CG2 4.09Å; I233-N251 HydrophobicContact CD1-CB 3.94Å; I233-T253 HydrophobicContact CD1-CG2 3.98Å; I233-T253 HydrophobicContact CG1-CG2 4.13Å; I233-M274 HydrophobicContact CD1-CE 4.06Å; I233-M274 HydrophobicContact CG1-CE 3.86Å
234	P	90.4	Very high	93.9	Very high	15 Å²	15	40.4 Å²	40.4	10%	0.097	20%	0.196	C	C	.	.			trans	-57.4	136	-178.8	-27.2	36.4	0	0	0	112.4	L210 F232 I236 V237	L210-P234 HydrophobicContact CD1-CB 4.32Å; L210-P234 HydrophobicContact CD1-CG 4.03Å; L210-P234 HydrophobicContact CG-CG 4.47Å; F232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-I236 HydrophobicContact CB-CG2 4.04Å; P234-I236 PolarHBondContact O-N 2.65Å; P234-V237 WeakPolarHBondContact O-CB 3.36Å; P234-V237 PolarHBondContact O-N 3.26Å
235	K	91.4	Very high	93.9	Very high	155 Å²	155	39.5 Å²	39.5	67%	0.674	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-55.9	-30.2	-176.2	-71.7	-179.2	-178.6	173.2	0	113.8	I233 V237 F238	I233-K235 PolarHBondContact O-N 2.6Å; K235-V237 PolarHBondContact O-N 2.82Å; K235-F238 PolarHBondContact O-N 2.85Å; K235-F238 VanDerWaalsContact O-N 3.07Å
236	I	93.7	Very high	94	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.072	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.1	-30.5	-179.9	-169.3	60.8	0	0	0	112.8	L210 K212 M214 N215 P234 F238 Q239	L210-I236 HydrophobicContact CB-CG2 4.02Å; K212-I236 WeakPolarHBondContact O-CD1 3.22Å; M214-I236 HydrophobicContact CB-CG1 3.76Å; M214-I236 HydrophobicContact CE-CG2 3.97Å; N215-I236 HydrophobicContact CB-CD1 3.93Å; P234-I236 HydrophobicContact CB-CG2 4.04Å; P234-I236 PolarHBondContact O-N 2.65Å; I236-F238 PolarHBondContact O-N 3.47Å; I236-Q239 HydrophobicContact CD1-CB 4.23Å; I236-Q239 WeakPolarHBondContact O-CB 3.26Å; I236-Q239 PolarHBondContact O-N 2.85Å
237	V	95.7	Very high	94.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.9	-40.4	175.3	173	0	0	0	0	110.6	L210 M214 L223 M225 I233 P234 K235 Q239 I240 L246	L210-V237 HydrophobicContact CD1-CG2 3.65Å; M214-V237 HydrophobicContact CE-CG2 4.08Å; L223-V237 HydrophobicContact CD2-CG1 3.94Å; L223-V237 HydrophobicContact CD2-CG2 4.24Å; M225-V237 HydrophobicContact CE-CG2 4.28Å; M225-V237 HydrophobicContact SD-CG1 4.21Å; M225-V237 HydrophobicContact SD-CG2 3.67Å; I233-V237 HydrophobicContact CG2-CB 4.11Å; I233-V237 HydrophobicContact CG2-CG1 4.24Å; I233-V237 HydrophobicContact CG2-CG2 4.14Å; P234-V237 WeakPolarHBondContact O-CB 3.36Å; P234-V237 PolarHBondContact O-N 3.26Å; K235-V237 PolarHBondContact O-N 2.82Å; V237-Q239 PolarHBondContact O-N 3.47Å; V237-I240 PolarHBondContact O-N 2.85Å; V237-L246 HydrophobicContact CG1-CD1 3.73Å; V237-L246 HydrophobicContact CG1-CD2 4.02Å
238	F	96.7	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-82.5	9	178.7	-49.8	-73	0	0	0	113.6	I233 K235 I236 L246 I256 P257 A259 I260 N262 L263	I233-F238 HydrophobicContact CB-CE2 3.92Å; I233-F238 HydrophobicContact CB-CZ 3.92Å; I233-F238 HydrophobicContact CG2-CE2 3.62Å; I233-F238 HydrophobicContact CG2-CZ 3.58Å; K235-F238 PolarHBondContact O-N 2.85Å; K235-F238 VanDerWaalsContact O-N 3.07Å; I236-F238 PolarHBondContact O-N 3.47Å; F238-L246 HydrophobicContact CE1-CD2 4.17Å; F238-I256 HydrophobicContact CE1-CG2 4.13Å; F238-I256 HydrophobicContact CZ-CG2 4.13Å; F238-P257 HydrophobicContact CD2-CB 4.39Å; F238-P257 HydrophobicContact CD2-CG 4.38Å; F238-P257 HydrophobicContact CE2-CB 4.07Å; F238-P257 HydrophobicContact CE2-CG 3.65Å; F238-P257 HydrophobicContact CZ-CG 4.22Å; F238-A259 HydrophobicContact CB-CB 3.67Å; F238-A259 WeakPolarHBondContact CB-O 3.29Å; F238-A259 HydrophobicContact CD2-CB 4.16Å; F238-A259 HydrophobicContact CG-CB 4.06Å; F238-I260 HydrophobicContact CD1-CB 4.02Å; F238-I260 HydrophobicContact CD1-CD1 3.79Å; F238-I260 HydrophobicContact CE1-CB 4.08Å; F238-I260 HydrophobicContact CE1-CD1 3.72Å; F238-I260 HydrophobicContact CE1-CG1 4.43Å; F238-N262 WeakPolarHBondContact O-CB 3.09Å; F238-N262 PolarHBondContact O-ND2 3.04Å; F238-L263 HydrophobicContact CD1-CD1 4.11Å; F238-L263 HydrophobicContact CD1-CG 4.5Å
239	Q	96.7	Very high	94.5	Very high	89 Å²	89	38.7 Å²	38.7	42%	0.416	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-109	-5.9	172.9	-64	176.4	-7.7	0	0	112	N215 I236 V237 I241	N215-Q239 HydrophobicContact CB-CB 3.95Å; I236-Q239 HydrophobicContact CD1-CB 4.23Å; I236-Q239 WeakPolarHBondContact O-CB 3.26Å; I236-Q239 PolarHBondContact O-N 2.85Å; V237-Q239 PolarHBondContact O-N 3.47Å; Q239-I241 PolarHBondContact O-N 2.72Å
240	I	97.3	Very high	94.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.178	C	C	.	.			trans	-80.4	78.7	170.8	-53.2	162.9	0	0	0	107.9	M214 L220 L223 V237 S242 L243 L263	M214-I240 HydrophobicContact CE-CD1 3.43Å; M214-I240 VanDerWaalsContact CE-CD1 3.43Å; M214-I240 HydrophobicContact CE-CG1 4.49Å; M214-I240 HydrophobicContact CG-CD1 4.15Å; M214-I240 HydrophobicContact SD-CD1 4.44Å; L220-I240 HydrophobicContact CB-CG2 4.07Å; L220-I240 HydrophobicContact CD2-CD1 4.09Å; L220-I240 HydrophobicContact CD2-CG2 4.28Å; L223-I240 HydrophobicContact CD2-CD1 4.29Å; V237-I240 PolarHBondContact O-N 2.85Å; I240-S242 WeakPolarHBondContact CG2-OG 3.37Å; I240-S242 PolarHBondContact O-N 3.19Å; I240-L243 HydrophobicContact CB-CD1 3.89Å; I240-L243 HydrophobicContact CB-CG 3.93Å; I240-L243 HydrophobicContact CD1-CD1 4.41Å; I240-L243 HydrophobicContact CG2-CD1 4.28Å; I240-L243 HydrophobicContact CG2-CD2 4.34Å; I240-L243 HydrophobicContact CG2-CG 3.78Å; I240-L243 WeakPolarHBondContact O-CB 3.18Å; I240-L243 WeakPolarHBondContact O-CG 3.35Å; I240-L243 PolarHBondContact O-N 2.99Å; I240-L243 VanDerWaalsContact O-N 3.13Å; I240-L263 WeakPolarHBondContact O-CD2 3.13Å
241	I	96.8	Very high	94.9	Very high	115 Å²	115	37.7 Å²	37.7	59%	0.59	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.5	-172.2	59.6	172.5	0	0	0	114.1	Q239 L243	Q239-I241 PolarHBondContact O-N 2.72Å; I241-L243 VanDerWaalsContact C-N 3.32Å
242	S	97.6	Very high	94.9	Very high	11 Å²	11	38.7 Å²	38.7	8%	0.077	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.7	178.1	55.6	0	0	0	0	114.3	L217 I218 L220 K221 I240 T244	L217-S242 PolarHBondContact O-OG 2.73Å; I218-S242 WeakPolarHBondContact O-CB 3.38Å; I218-S242 PolarHBondContact O-OG 3.15Å; L220-S242 CarbonylContact O-C 3.58Å; L220-S242 WeakPolarHBondContact O-CB 3.46Å; L220-S242 PolarHBondContact O-OG 3Å; K221-S242 VanDerWaalsContact CD-O 3.26Å; K221-S242 WeakPolarHBondContact CD-O 3.48Å; I240-S242 WeakPolarHBondContact CG2-OG 3.37Å; I240-S242 PolarHBondContact O-N 3.19Å; S242-T244 PolarHBondContact O-N 2.93Å
243	L	98.5	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.			trans	-62.3	128.2	-176.2	-74.8	174.3	0	0	0	112.2	L220 L223 I240 I241 L246 L263 E265 L266	L220-L243 HydrophobicContact CD2-CD2 4.15Å; L220-L243 HydrophobicContact CG-CD2 4.16Å; L220-L243 PolarHBondContact O-N 3.05Å; L223-L243 HydrophobicContact CB-CD1 4.41Å; L223-L243 HydrophobicContact CB-CD2 3.68Å; I240-L243 HydrophobicContact CB-CD1 3.89Å; I240-L243 HydrophobicContact CB-CG 3.93Å; I240-L243 HydrophobicContact CD1-CD1 4.41Å; I240-L243 HydrophobicContact CG2-CD1 4.28Å; I240-L243 HydrophobicContact CG2-CD2 4.34Å; I240-L243 HydrophobicContact CG2-CG 3.78Å; I240-L243 WeakPolarHBondContact O-CB 3.18Å; I240-L243 WeakPolarHBondContact O-CG 3.35Å; I240-L243 PolarHBondContact O-N 2.99Å; I240-L243 VanDerWaalsContact O-N 3.13Å; I241-L243 VanDerWaalsContact C-N 3.32Å; L243-L246 HydrophobicContact CD1-CD1 4.38Å; L243-L263 HydrophobicContact CD1-CD1 4.19Å; L243-L263 HydrophobicContact CD1-CD2 4.44Å; L243-E265 CarbonylContact O-C 3.59Å; L243-E265 VanDerWaalsContact O-C 3.27Å; L243-L266 HydrophobicContact CB-CD1 4.5Å; L243-L266 WeakPolarHBondContact O-CA 3.16Å; L243-L266 PolarHBondContact O-N 2.86Å
244	T	98.6	Very high	94.7	Very high	26 Å²	26	38.5 Å²	38.5	16%	0.16	18%	0.182	C	C	.	.	S	Bend	trans	-108.4	-27.7	171.9	62.3	0	0	0	0	111.8	K221 S242 E265 R267 C268	K221-T244 HydrophobicContact CD-CG2 4.22Å; K221-T244 PolarHBondContact O-N 2.97Å; K221-T244 PolarHBondContact O-OG1 3.14Å; S242-T244 PolarHBondContact O-N 2.93Å; T244-E265 HydrophobicContact CG2-CB 4.35Å; T244-R267 WeakPolarHBondContact O-CA 3.18Å; T244-R267 PolarHBondContact O-N 3.32Å; T244-C268 PolarHBondContact O-N 3.47Å
245	K	98.7	Very high	94.8	Very high	50 Å²	50	44.3 Å²	44.3	22%	0.217	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.5	175.1	-56.1	-167.3	179.4	-173.3	0	110.3	D91 K221 T222 L223 C268	D91-K245 IonicContact OD1-NZ 3.73Å; D91-K245 PolarHBondContact OD1-NZ 2.78Å; K221-K245 PolarHBondContact O-N 3.04Å; T222-K245 WeakPolarHBondContact CA-O 3.32Å; T222-K245 HydrophobicContact CG2-CB 4.08Å; L223-K245 PolarHBondContact N-O 3Å; K245-C268 WeakPolarHBondContact CA-O 3.26Å; K245-C268 HydrophobicContact CB-CB 4.27Å; K245-C268 HydrophobicContact CD-CB 4.39Å; K245-C268 HydrophobicContact CG-CB 3.92Å
246	L	98.7	Very high	95	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.4	177.2	178.3	61.3	0	0	0	110	L223 V237 F238 L243 I248 I260 L263 L266 C268 L269 L270	L223-L246 HydrophobicContact CB-CD1 4.16Å; L223-L246 HydrophobicContact CD2-CD1 4.14Å; L223-L246 HydrophobicContact CG-CD1 4.24Å; L223-L246 WeakPolarHBondContact O-CA 3.41Å; V237-L246 HydrophobicContact CG1-CD1 3.73Å; V237-L246 HydrophobicContact CG1-CD2 4.02Å; F238-L246 HydrophobicContact CE1-CD2 4.17Å; L243-L246 HydrophobicContact CD1-CD1 4.38Å; L246-I248 HydrophobicContact CD1-CG2 3.79Å; L246-I248 HydrophobicContact CD2-CG2 4.16Å; L246-I248 HydrophobicContact CG-CG2 3.87Å; L246-I260 HydrophobicContact CD2-CD1 4.49Å; L246-L263 HydrophobicContact CD2-CD1 3.9Å; L246-L266 HydrophobicContact CB-CD1 3.81Å; L246-C268 PolarHBondContact N-O 2.84Å; L246-L269 HydrophobicContact CB-CD1 4.39Å; L246-L269 HydrophobicContact CD2-CD1 4.28Å; L246-L269 HydrophobicContact CG-CD1 4.39Å; L246-L270 PolarHBondContact O-N 3.3Å
247	D	98.6	Very high	95	Very high	17 Å²	17	38 Å²	38	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.3	169.5	-169	-3.3	0	0	0	111	L223 K224 M225 S249 L270	L223-D247 PolarHBondContact O-N 3.31Å; K224-D247 HydrophobicContact CB-CB 4.26Å; K224-D247 HydrophobicContact CG-CB 4.03Å; M225-D247 CarbonylContact C-O 3.03Å; M225-D247 VanDerWaalsContact CG-O 3.29Å; M225-D247 WeakPolarHBondContact CG-O 3.45Å; M225-D247 PolarHBondContact N-O 2.89Å; D247-S249 WeakPolarHBondContact OD1-CB 3.43Å; D247-S249 PolarHBondContact OD1-N 2.85Å; D247-S249 PolarHBondContact OD1-OG 2.9Å; D247-L270 WeakPolarHBondContact CA-O 3.4Å; D247-L270 HydrophobicContact CB-CB 3.97Å; D247-L270 HydrophobicContact CB-CD1 4.12Å; D247-L270 HydrophobicContact CB-CG 4.45Å; D247-L270 WeakPolarHBondContact OD1-CB 3.46Å
248	I	97.1	Very high	95.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.			trans	-121.4	14.6	179.4	49.3	173	0	0	0	111.3	M225 I233 L246 N251 I256 L269 L270 A271 M274	M225-I248 HydrophobicContact CG-CG2 3.77Å; M225-I248 HydrophobicContact SD-CG2 3.9Å; I233-I248 HydrophobicContact CD1-CB 3.9Å; I233-I248 HydrophobicContact CD1-CG2 4Å; I233-I248 HydrophobicContact CG1-CB 4.24Å; I233-I248 HydrophobicContact CG1-CD1 4.28Å; I233-I248 HydrophobicContact CG1-CG2 4.22Å; I233-I248 HydrophobicContact CG2-CG2 4.09Å; L246-I248 HydrophobicContact CD1-CG2 3.79Å; L246-I248 HydrophobicContact CD2-CG2 4.16Å; L246-I248 HydrophobicContact CG-CG2 3.87Å; I248-N251 PolarHBondContact O-ND2 3.19Å; I248-I256 HydrophobicContact CD1-CD1 3.93Å; I248-I256 HydrophobicContact CD1-CG1 4.13Å; I248-L269 HydrophobicContact CD1-CD1 4.08Å; I248-L269 HydrophobicContact CG1-CD1 4.26Å; I248-L270 WeakPolarHBondContact CG1-O 3.32Å; I248-L270 PolarHBondContact N-O 3.12Å; I248-A271 HydrophobicContact CD1-CB 4.25Å; I248-A271 HydrophobicContact CG1-CB 4.07Å; I248-M274 HydrophobicContact CB-CE 4.36Å; I248-M274 HydrophobicContact CB-SD 4.17Å; I248-M274 HydrophobicContact CD1-CE 3.87Å; I248-M274 HydrophobicContact CD1-SD 3.75Å; I248-M274 HydrophobicContact CG1-CE 4.18Å; I248-M274 HydrophobicContact CG1-SD 3.64Å; I248-M274 VanDerWaalsContact O-SD 3.33Å
249	S	96	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	154.5	-176.3	-58.1	0	0	0	0	113	S226 S227 D247 N251 K272	S226-S249 CarbonylContact C-O 3.39Å; S226-S249 WeakPolarHBondContact CA-O 3.41Å; S226-S249 WeakPolarHBondContact CB-O 3.45Å; S227-S249 PolarHBondContact N-O 3.28Å; D247-S249 WeakPolarHBondContact OD1-CB 3.43Å; D247-S249 PolarHBondContact OD1-N 2.85Å; D247-S249 PolarHBondContact OD1-OG 2.9Å; S249-N251 PolarHBondContact O-N 2.93Å; S249-N251 VanDerWaalsContact O-N 3.07Å; S249-N251 PolarHBondContact O-ND2 2.78Å; S249-K272 CarbonylContact C-O 3.02Å; S249-K272 VanDerWaalsContact CA-O 3.26Å; S249-K272 WeakPolarHBondContact CA-O 3.35Å; S249-K272 PolarHBondContact OG-N 3.17Å
250	E	93.3	Very high	95.1	Very high	64 Å²	64	39 Å²	39	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	22.4	172.4	-62.2	-174.6	-121.2	0	0	114.7	S227 K272 R273	S227-E250 WeakPolarHBondContact OG-CB 3.38Å; E250-K272 PolarHBondContact N-O 3.18Å; E250-R273 HydrophobicContact CG-CB 3.93Å; E250-R273 HydrophobicContact CG-CG 4.21Å; E250-R273 IonicContact OE2-CZ 2.72Å; E250-R273 IonicContact OE2-NH1 3.19Å
251	N	89.9	Confident	95.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.			trans	-105.5	108.4	165.3	-67	-66	0	0	0	108.4	M225 C228 D229 L230 I233 I248 S249 T253 M274	M225-N251 PolarHBondContact O-ND2 3.03Å; C228-N251 WeakPolarHBondContact CA-OD1 3.4Å; C228-N251 PolarHBondContact N-OD1 2.75Å; C228-N251 VanDerWaalsContact N-OD1 3.07Å; D229-N251 PolarHBondContact N-OD1 2.92Å; L230-N251 HydrophobicContact CB-CB 3.96Å; L230-N251 WeakPolarHBondContact CB-OD1 3.18Å; L230-N251 WeakPolarHBondContact CG-OD1 3.36Å; L230-N251 PolarHBondContact N-OD1 2.82Å; L230-N251 VanDerWaalsContact N-OD1 3.12Å; I233-N251 HydrophobicContact CD1-CB 3.94Å; I248-N251 PolarHBondContact O-ND2 3.19Å; S249-N251 PolarHBondContact O-N 2.93Å; S249-N251 VanDerWaalsContact O-N 3.07Å; S249-N251 PolarHBondContact O-ND2 2.78Å; N251-T253 HydrophobicContact CB-CG2 3.99Å; N251-T253 WeakPolarHBondContact O-CG2 3.24Å; N251-T253 PolarHBondContact O-N 3.32Å; N251-T253 PolarHBondContact O-OG1 3.3Å; N251-M274 WeakPolarHBondContact O-CA 3.44Å; N251-M274 WeakPolarHBondContact O-CB 3.42Å; N251-M274 WeakPolarHBondContact O-CG 3.33Å
252	W	86.7	Confident	95.2	Very high	147 Å²	147	37.6 Å²	37.6	56%	0.557	19%	0.192	S	C	*	.			trans	-73.9	53	-169.7	-123.5	-70.1	0	0	0	114.1	N254 M274	W252-N254 PolarHBondContact O-ND2 3.29Å; W252-M274 CarbonylContact C-O 3.56Å
253	T	87.6	Confident	95.2	Very high	12 Å²	12	37 Å²	37	7%	0.074	19%	0.189	C	C	.	.			trans	-80	-21.4	-170.4	61.3	0	0	0	0	113.8	L230 K231 F232 I233 N251 E255 M274	L230-T253 WeakPolarHBondContact O-CG2 3.21Å; K231-T253 WeakPolarHBondContact O-CA 3.39Å; F232-T253 VanDerWaalsContact CA-CG2 3.49Å; I233-T253 HydrophobicContact CD1-CG2 3.98Å; I233-T253 HydrophobicContact CG1-CG2 4.13Å; N251-T253 HydrophobicContact CB-CG2 3.99Å; N251-T253 WeakPolarHBondContact O-CG2 3.24Å; N251-T253 PolarHBondContact O-N 3.32Å; N251-T253 PolarHBondContact O-OG1 3.3Å; T253-E255 PolarHBondContact O-N 3.25Å; T253-E255 VanDerWaalsContact O-N 3.07Å; T253-E255 PolarHBondContact OG1-O 2.99Å; T253-M274 HydrophobicContact CG2-CE 4.17Å; T253-M274 PolarHBondContact N-O 2.9Å; T253-M274 WeakPolarHBondContact OG1-CE 3.44Å
254	N	89.7	Confident	95.2	Very high	90 Å²	90	41.6 Å²	41.6	48%	0.481	21%	0.212	S	C	.	.	S	Bend	trans	65.4	-11.6	-174.8	-47	-68.3	0	0	0	116.2	W252 M274	W252-N254 PolarHBondContact O-ND2 3.29Å; N254-M274 WeakPolarHBondContact CA-O 3.27Å; N254-M274 PolarHBondContact N-O 3.47Å
255	E	92.3	Very high	95.1	Very high	137 Å²	137	43.4 Å²	43.4	64%	0.64	22%	0.219	S	C	*	.			trans	-148.1	147.9	175.9	63.2	179.7	-156.1	0	0	112.7	T253 L276	T253-E255 PolarHBondContact O-N 3.25Å; T253-E255 VanDerWaalsContact O-N 3.07Å; T253-E255 PolarHBondContact OG1-O 2.99Å; E255-L276 VanDerWaalsContact CA-CD2 3.48Å
256	I	94.4	Very high	95.1	Very high	7 Å²	7	41 Å²	41	4%	0.036	21%	0.209	C	C	.	.			trans	-95.7	126.4	162.8	-62.5	-179.8	0	0	0	107.2	F238 I248 I260 L269 A271 M274 L276 L279 P280	F238-I256 HydrophobicContact CE1-CG2 4.13Å; F238-I256 HydrophobicContact CZ-CG2 4.13Å; I248-I256 HydrophobicContact CD1-CD1 3.93Å; I248-I256 HydrophobicContact CD1-CG1 4.13Å; I256-I260 HydrophobicContact CG2-CB 3.82Å; I256-I260 HydrophobicContact CG2-CG1 4.17Å; I256-I260 HydrophobicContact CG2-CG2 4.1Å; I256-L269 HydrophobicContact CD1-CD2 4.15Å; I256-A271 HydrophobicContact CD1-CB 3.94Å; I256-M274 HydrophobicContact CG1-CE 4.36Å; I256-L276 HydrophobicContact CD1-CD1 3.82Å; I256-L276 HydrophobicContact CG1-CD1 3.96Å; I256-L276 HydrophobicContact CG1-CD2 3.95Å; I256-L279 HydrophobicContact CD1-CD2 3.77Å; I256-P280 WeakPolarHBondContact O-CG 3.4Å
257	P	94.7	Very high	95.1	Very high	29 Å²	29	42.5 Å²	42.5	19%	0.188	21%	0.214	C	C	.	.			trans	-57.1	149.3	177.8	-27.5	35.9	0	0	0	113	F238 A259 I260	F238-P257 HydrophobicContact CD2-CB 4.39Å; F238-P257 HydrophobicContact CD2-CG 4.38Å; F238-P257 HydrophobicContact CE2-CB 4.07Å; F238-P257 HydrophobicContact CE2-CG 3.65Å; F238-P257 HydrophobicContact CZ-CG 4.22Å; P257-A259 HydrophobicContact CB-CB 4.44Å; P257-A259 PolarHBondContact O-N 3.05Å; P257-I260 VanDerWaalsContact O-CG2 3.31Å; P257-I260 WeakPolarHBondContact O-CG2 3.5Å; P257-I260 PolarHBondContact O-N 3.11Å
258	T	96.4	Very high	95.1	Very high	89 Å²	89	42 Å²	42	55%	0.546	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-58.1	-21.6	175.7	58.2	0	0	0	0	113.4	I260 G261 P280 Q282	T258-I260 PolarHBondContact O-N 3.02Å; T258-I260 VanDerWaalsContact O-N 3.11Å; T258-G261 PolarHBondContact O-N 2.93Å; T258-P280 HydrophobicContact CG2-CB 4.25Å; T258-Q282 WeakPolarHBondContact O-CB 3.37Å; T258-Q282 WeakPolarHBondContact O-CG 3.48Å
259	A	97.1	Very high	95.2	Very high	23 Å²	23	42 Å²	42	19%	0.19	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.9	-17.5	174.9	0	0	0	0	0	113.6	F238 P257 G261 N262	F238-A259 HydrophobicContact CB-CB 3.67Å; F238-A259 WeakPolarHBondContact CB-O 3.29Å; F238-A259 HydrophobicContact CD2-CB 4.16Å; F238-A259 HydrophobicContact CG-CB 4.06Å; P257-A259 HydrophobicContact CB-CB 4.44Å; P257-A259 PolarHBondContact O-N 3.05Å; A259-G261 PolarHBondContact O-N 2.9Å; A259-N262 VanDerWaalsContact O-CB 3.23Å; A259-N262 WeakPolarHBondContact O-CB 3.39Å; A259-N262 VanDerWaalsContact O-CG 3.24Å; A259-N262 PolarHBondContact O-N 2.94Å; A259-N262 PolarHBondContact O-ND2 3.06Å
260	I	98	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-49.5	-31.9	172.2	-173.3	59.5	0	0	0	112.8	F238 L246 I256 P257 T258 N262 L263 L266 P280 I283 C286	F238-I260 HydrophobicContact CD1-CB 4.02Å; F238-I260 HydrophobicContact CD1-CD1 3.79Å; F238-I260 HydrophobicContact CE1-CB 4.08Å; F238-I260 HydrophobicContact CE1-CD1 3.72Å; F238-I260 HydrophobicContact CE1-CG1 4.43Å; L246-I260 HydrophobicContact CD2-CD1 4.49Å; I256-I260 HydrophobicContact CG2-CB 3.82Å; I256-I260 HydrophobicContact CG2-CG1 4.17Å; I256-I260 HydrophobicContact CG2-CG2 4.1Å; P257-I260 VanDerWaalsContact O-CG2 3.31Å; P257-I260 WeakPolarHBondContact O-CG2 3.5Å; P257-I260 PolarHBondContact O-N 3.11Å; T258-I260 PolarHBondContact O-N 3.02Å; T258-I260 VanDerWaalsContact O-N 3.11Å; I260-N262 PolarHBondContact O-N 2.91Å; I260-L263 HydrophobicContact CD1-CD1 3.86Å; I260-L263 HydrophobicContact CD1-CG 4.39Å; I260-L263 PolarHBondContact O-N 2.97Å; I260-L266 HydrophobicContact CD1-CD2 3.86Å; I260-P280 HydrophobicContact CG2-CG 3.57Å; I260-I283 HydrophobicContact CG1-CD1 3.61Å; I260-I283 HydrophobicContact CG2-CD1 4.39Å; I260-C286 PolarHBondContact O-SG 3.11Å
261	G	97.1	Very high	95.5	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.2	-6.2	177.6	0	0	0	0	0	115.6	T258 A259 Q282 N285	T258-G261 PolarHBondContact O-N 2.93Å; A259-G261 PolarHBondContact O-N 2.9Å; G261-Q282 VanDerWaalsContact CA-O 3.24Å; G261-Q282 WeakPolarHBondContact CA-O 3.48Å; G261-N285 VanDerWaalsContact O-CB 3.23Å; G261-N285 WeakPolarHBondContact O-CB 3.49Å
262	N	97.9	Very high	95.6	Very high	82 Å²	82	43.1 Å²	43.1	44%	0.439	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-79.9	-20.8	172.2	-63.5	-12.9	0	0	0	112.7	F238 A259 I260 L264	F238-N262 WeakPolarHBondContact O-CB 3.09Å; F238-N262 PolarHBondContact O-ND2 3.04Å; A259-N262 VanDerWaalsContact O-CB 3.23Å; A259-N262 WeakPolarHBondContact O-CB 3.39Å; A259-N262 VanDerWaalsContact O-CG 3.24Å; A259-N262 PolarHBondContact O-N 2.94Å; A259-N262 PolarHBondContact O-ND2 3.06Å; I260-N262 PolarHBondContact O-N 2.91Å; N262-L264 PolarHBondContact O-N 3.07Å
263	L	98.2	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.			trans	-82	70.8	-178	-55.6	-170.2	0	0	0	110	F238 I240 L243 L246 I260 E265 L266 C286	F238-L263 HydrophobicContact CD1-CD1 4.11Å; F238-L263 HydrophobicContact CD1-CG 4.5Å; I240-L263 WeakPolarHBondContact O-CD2 3.13Å; L243-L263 HydrophobicContact CD1-CD1 4.19Å; L243-L263 HydrophobicContact CD1-CD2 4.44Å; L246-L263 HydrophobicContact CD2-CD1 3.9Å; I260-L263 HydrophobicContact CD1-CD1 3.86Å; I260-L263 HydrophobicContact CD1-CG 4.39Å; I260-L263 PolarHBondContact O-N 2.97Å; L263-E265 PolarHBondContact O-N 2.86Å; L263-L266 HydrophobicContact CB-CB 3.9Å; L263-L266 HydrophobicContact CB-CD2 4.33Å; L263-L266 HydrophobicContact CD1-CD1 4.28Å; L263-L266 HydrophobicContact CD1-CD2 4.28Å; L263-L266 VanDerWaalsContact O-CB 3.24Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 2.73Å; L263-C286 PolarHBondContact O-SG 2.74Å
264	L	97.4	Very high	96	Very high	96 Å²	96	38.8 Å²	38.8	50%	0.503	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.9	-174.8	-58.6	-179.6	0	0	0	113	N262 N285	N262-L264 PolarHBondContact O-N 3.07Å; L264-N285 HydrophobicContact CD2-CB 4.33Å
265	E	97.9	Very high	95.9	Very high	64 Å²	64	34.8 Å²	34.8	30%	0.299	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.7	178.6	-64.4	-55.8	126.4	0	0	113.8	L243 T244 L263 R267 K288	L243-E265 CarbonylContact O-C 3.59Å; L243-E265 VanDerWaalsContact O-C 3.27Å; T244-E265 HydrophobicContact CG2-CB 4.35Å; L263-E265 PolarHBondContact O-N 2.86Å; E265-R267 WeakPolarHBondContact O-CG 3.31Å; E265-R267 PolarHBondContact O-N 3.38Å; E265-K288 WeakPolarHBondContact OE1-CE 3.48Å; E265-K288 IonicContact OE1-NZ 3.3Å; E265-K288 PolarHBondContact OE1-NZ 3.01Å; E265-K288 IonicContact OE2-NZ 2.73Å; E265-K288 PolarHBondContact OE2-NZ 3.08Å
266	L	98.6	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.			trans	-64.5	127.9	-173.6	-162.5	70.6	0	0	0	111.8	L243 L246 I260 L263 L269 C286 K288 L289	L243-L266 HydrophobicContact CB-CD1 4.5Å; L243-L266 WeakPolarHBondContact O-CA 3.16Å; L243-L266 PolarHBondContact O-N 2.86Å; L246-L266 HydrophobicContact CB-CD1 3.81Å; I260-L266 HydrophobicContact CD1-CD2 3.86Å; L263-L266 HydrophobicContact CB-CB 3.9Å; L263-L266 HydrophobicContact CB-CD2 4.33Å; L263-L266 HydrophobicContact CD1-CD1 4.28Å; L263-L266 HydrophobicContact CD1-CD2 4.28Å; L263-L266 VanDerWaalsContact O-CB 3.24Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 2.73Å; L266-L269 HydrophobicContact CD2-CB 4.21Å; L266-C286 HydrophobicContact CB-CB 4.34Å; L266-K288 CarbonylContact O-C 3.46Å; L266-L289 HydrophobicContact CB-CD2 4.34Å; L266-L289 HydrophobicContact CD2-CD2 3.95Å; L266-L289 HydrophobicContact CG-CD2 3.87Å; L266-L289 WeakPolarHBondContact O-CA 3.42Å; L266-L289 PolarHBondContact O-N 2.98Å
267	R	98.5	Very high	95.5	Very high	33 Å²	33	30.2 Å²	30.2	13%	0.125	16%	0.164	C	C	.	.			trans	-115.3	-36	-179.8	-58.4	-176.5	-174.9	-135.2	9.4	111.9	E96 T244 E265 K288 R290 T291	E96-R267 VanDerWaalsContact CD-NH2 3.28Å; E96-R267 IonicContact OE1-CZ 3.65Å; E96-R267 IonicContact OE1-NH1 3.63Å; E96-R267 PolarHBondContact OE1-NH1 2.81Å; E96-R267 IonicContact OE1-NH2 3.53Å; E96-R267 PolarHBondContact OE1-NH2 2.98Å; E96-R267 IonicContact OE2-CZ 3.88Å; E96-R267 IonicContact OE2-NH1 2.93Å; E96-R267 IonicContact OE2-NH2 3.62Å; E96-R267 PolarHBondContact OE2-NH2 2.61Å; T244-R267 WeakPolarHBondContact O-CA 3.18Å; T244-R267 PolarHBondContact O-N 3.32Å; E265-R267 WeakPolarHBondContact O-CG 3.31Å; E265-R267 PolarHBondContact O-N 3.38Å; R267-K288 HydrophobicContact CG-CB 4.25Å; R267-R290 PolarHBondContact O-N 2.75Å; R267-T291 PolarHBondContact O-N 2.91Å
268	C	98.6	Very high	95.3	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.047	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.4	178.5	-172	0	0	0	0	111	T244 K245 L246 T291	T244-C268 PolarHBondContact O-N 3.47Å; K245-C268 WeakPolarHBondContact CA-O 3.26Å; K245-C268 HydrophobicContact CB-CB 4.27Å; K245-C268 HydrophobicContact CD-CB 4.39Å; K245-C268 HydrophobicContact CG-CB 3.92Å; L246-C268 PolarHBondContact N-O 2.84Å; C268-T291 WeakPolarHBondContact CA-O 3.26Å
269	L	98.6	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.8	171.6	176.6	62.7	0	0	0	109.7	L246 I248 I256 L266 A271 I283 L289 T291 I292 N293	L246-L269 HydrophobicContact CB-CD1 4.39Å; L246-L269 HydrophobicContact CD2-CD1 4.28Å; L246-L269 HydrophobicContact CG-CD1 4.39Å; I248-L269 HydrophobicContact CD1-CD1 4.08Å; I248-L269 HydrophobicContact CG1-CD1 4.26Å; I256-L269 HydrophobicContact CD1-CD2 4.15Å; L266-L269 HydrophobicContact CD2-CB 4.21Å; L269-A271 HydrophobicContact CD1-CB 4.47Å; L269-A271 HydrophobicContact CG-CB 4.33Å; L269-I283 HydrophobicContact CD2-CD1 3.92Å; L269-L289 HydrophobicContact CB-CD2 4.13Å; L269-T291 PolarHBondContact N-O 2.92Å; L269-I292 HydrophobicContact CB-CG1 4.48Å; L269-I292 WeakPolarHBondContact O-CA 3Å; L269-N293 PolarHBondContact O-N 2.79Å
270	L	98.3	Very high	95.2	Very high	44 Å²	44	27 Å²	27	23%	0.23	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.7	170.9	-50.7	-178.1	0	0	0	108.3	L246 D247 I248 N293	L246-L270 PolarHBondContact O-N 3.3Å; D247-L270 WeakPolarHBondContact CA-O 3.4Å; D247-L270 HydrophobicContact CB-CB 3.97Å; D247-L270 HydrophobicContact CB-CD1 4.12Å; D247-L270 HydrophobicContact CB-CG 4.45Å; D247-L270 WeakPolarHBondContact OD1-CB 3.46Å; I248-L270 WeakPolarHBondContact CG1-O 3.32Å; I248-L270 PolarHBondContact N-O 3.12Å; L270-N293 HydrophobicContact CD2-CB 3.68Å
271	A	96.7	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.			trans	-137.5	45.7	-175.7	0	0	0	0	0	110	I248 I256 L269 M274 L276 N293 L294 N297	I248-A271 HydrophobicContact CD1-CB 4.25Å; I248-A271 HydrophobicContact CG1-CB 4.07Å; I256-A271 HydrophobicContact CD1-CB 3.94Å; L269-A271 HydrophobicContact CD1-CB 4.47Å; L269-A271 HydrophobicContact CG-CB 4.33Å; A271-M274 HydrophobicContact CB-SD 3.54Å; A271-M274 VanDerWaalsContact CB-SD 3.54Å; A271-L276 HydrophobicContact CB-CD1 4.15Å; A271-N293 CarbonylContact C-O 3.54Å; A271-N293 PolarHBondContact N-O 3.24Å; A271-L294 HydrophobicContact CB-CD2 4.03Å; A271-N297 PolarHBondContact O-ND2 3.31Å
272	K	93.2	Very high	95.1	Very high	42 Å²	42	33.5 Å²	33.5	18%	0.183	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	147.1	-176.6	-52.5	179.2	-70.6	-176.9	0	110.2	S249 E250 M274 N293 Y295	S249-K272 CarbonylContact C-O 3.02Å; S249-K272 VanDerWaalsContact CA-O 3.26Å; S249-K272 WeakPolarHBondContact CA-O 3.35Å; S249-K272 PolarHBondContact OG-N 3.17Å; E250-K272 PolarHBondContact N-O 3.18Å; K272-M274 WeakPolarHBondContact O-CG 3.24Å; K272-M274 PolarHBondContact O-N 2.81Å; K272-M274 VanDerWaalsContact O-N 3.08Å; K272-N293 HydrophobicContact CG-CB 4.47Å; K272-Y295 CarbonylContact C-O 3.6Å; K272-Y295 WeakPolarHBondContact CA-O 3.48Å; K272-Y295 WeakPolarHBondContact CB-O 3.44Å
273	R	90.3	Very high	95.1	Very high	68 Å²	68	29.6 Å²	29.6	26%	0.257	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	34.3	167.3	-46.5	-177.9	50.2	166.3	-3.3	115	E250 Y295 G296 R320	E250-R273 HydrophobicContact CG-CB 3.93Å; E250-R273 HydrophobicContact CG-CG 4.21Å; E250-R273 IonicContact OE2-CZ 2.72Å; E250-R273 IonicContact OE2-NH1 3.19Å; R273-Y295 PolarHBondContact N-O 3.13Å; R273-G296 WeakPolarHBondContact CA-O 3.38Å; R273-R320 VanDerWaalsContact CG-NH2 3.26Å
274	M	91.5	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-94	-3.5	-179.4	-69.3	-174.8	68.9	0	0	113.3	I233 I248 N251 W252 T253 N254 I256 A271 K272 L276 N297	I233-M274 HydrophobicContact CD1-CE 4.06Å; I233-M274 HydrophobicContact CG1-CE 3.86Å; I248-M274 HydrophobicContact CB-CE 4.36Å; I248-M274 HydrophobicContact CB-SD 4.17Å; I248-M274 HydrophobicContact CD1-CE 3.87Å; I248-M274 HydrophobicContact CD1-SD 3.75Å; I248-M274 HydrophobicContact CG1-CE 4.18Å; I248-M274 HydrophobicContact CG1-SD 3.64Å; I248-M274 VanDerWaalsContact O-SD 3.33Å; N251-M274 WeakPolarHBondContact O-CA 3.44Å; N251-M274 WeakPolarHBondContact O-CB 3.42Å; N251-M274 WeakPolarHBondContact O-CG 3.33Å; W252-M274 CarbonylContact C-O 3.56Å; T253-M274 HydrophobicContact CG2-CE 4.17Å; T253-M274 PolarHBondContact N-O 2.9Å; T253-M274 WeakPolarHBondContact OG1-CE 3.44Å; N254-M274 WeakPolarHBondContact CA-O 3.27Å; N254-M274 PolarHBondContact N-O 3.47Å; I256-M274 HydrophobicContact CG1-CE 4.36Å; A271-M274 HydrophobicContact CB-SD 3.54Å; A271-M274 VanDerWaalsContact CB-SD 3.54Å; K272-M274 WeakPolarHBondContact O-CG 3.24Å; K272-M274 PolarHBondContact O-N 2.81Å; K272-M274 VanDerWaalsContact O-N 3.08Å; M274-L276 VanDerWaalsContact C-N 3.32Å; M274-L276 HydrophobicContact CB-CD1 4.18Å; M274-L276 HydrophobicContact CB-CD2 4.08Å; M274-L276 HydrophobicContact CB-CG 3.75Å; M274-L276 HydrophobicContact SD-CD1 4.42Å; M274-N297 WeakPolarHBondContact CA-OD1 3.36Å; M274-N297 PolarHBondContact N-OD1 2.8Å
275	G	88.8	Confident	95	Very high	6 Å²	6	29.3 Å²	29.3	6%	0.062	15%	0.151	C	C	.	.			trans	74.9	20.6	-175.6	0	0	0	0	0	113.4	S277 N297	G275-S277 PolarHBondContact O-N 2.95Å; G275-N297 PolarHBondContact N-OD1 2.77Å
276	L	90.4	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.			trans	-68.2	131.6	-175	-57	175	0	0	0	111	E255 I256 A271 M274 L279 L294 N297 E298 I299	E255-L276 VanDerWaalsContact CA-CD2 3.48Å; I256-L276 HydrophobicContact CD1-CD1 3.82Å; I256-L276 HydrophobicContact CG1-CD1 3.96Å; I256-L276 HydrophobicContact CG1-CD2 3.95Å; A271-L276 HydrophobicContact CB-CD1 4.15Å; M274-L276 VanDerWaalsContact C-N 3.32Å; M274-L276 HydrophobicContact CB-CD1 4.18Å; M274-L276 HydrophobicContact CB-CD2 4.08Å; M274-L276 HydrophobicContact CB-CG 3.75Å; M274-L276 HydrophobicContact SD-CD1 4.42Å; L276-L279 HydrophobicContact CD1-CD2 4.23Å; L276-L294 HydrophobicContact CD1-CD2 4.19Å; L276-N297 HydrophobicContact CB-CB 4.11Å; L276-N297 PolarHBondContact N-OD1 3.42Å; L276-E298 CarbonylContact O-C 3.46Å; L276-E298 WeakPolarHBondContact O-CA 3.47Å; L276-E298 PolarHBondContact O-N 2.96Å; L276-I299 HydrophobicContact CB-CD1 3.75Å; L276-I299 PolarHBondContact O-N 3.03Å; L276-I299 VanDerWaalsContact O-N 3.15Å
277	S	87.5	Confident	94.8	Very high	48 Å²	48	28.5 Å²	28.5	34%	0.336	15%	0.152	S	C	.	.	S	Bend	trans	-93.7	-21.1	173	59.9	0	0	0	0	114.1	G275 E298 I299 T300	G275-S277 PolarHBondContact O-N 2.95Å; S277-E298 WeakPolarHBondContact CA-O 3.16Å; S277-I299 WeakPolarHBondContact O-CA 3.32Å; S277-T300 PolarHBondContact O-N 3.17Å; S277-T300 PolarHBondContact O-OG1 2.9Å
278	T	90.9	Very high	94.7	Very high	50 Å²	50	29.6 Å²	29.6	31%	0.307	16%	0.157	S	C	.	.	S	Bend	trans	-159.6	175.5	176.1	-175.2	0	0	0	0	108.8	S301	T278-S301 WeakPolarHBondContact CA-O 3.14Å; T278-S301 WeakPolarHBondContact CB-O 3.15Å; T278-S301 PolarHBondContact OG1-O 3.2Å
279	L	94.3	Very high	94.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.155	C	C	.	.			trans	-100.9	151.2	161.2	-67.5	176.8	0	0	0	110.7	I256 L276 I283 L294 L302 P303 F306	I256-L279 HydrophobicContact CD1-CD2 3.77Å; L276-L279 HydrophobicContact CD1-CD2 4.23Å; L279-I283 HydrophobicContact CB-CG2 4.32Å; L279-I283 HydrophobicContact CD1-CG1 4.4Å; L279-L294 HydrophobicContact CD1-CD1 3.8Å; L279-L294 HydrophobicContact CD1-CD2 4.34Å; L279-L294 HydrophobicContact CD2-CD2 4Å; L279-L294 HydrophobicContact CG-CD1 4.13Å; L279-L294 HydrophobicContact CG-CD2 4.49Å; L279-L302 HydrophobicContact CB-CD2 4.28Å; L279-L302 HydrophobicContact CD1-CD2 4.09Å; L279-L302 HydrophobicContact CG-CD2 4.11Å; L279-P303 WeakPolarHBondContact O-CG 3.39Å; L279-F306 HydrophobicContact CD1-CE2 3.66Å; L279-F306 HydrophobicContact CD1-CZ 4.26Å
280	P	96.3	Very high	94.6	Very high	21 Å²	21	30.9 Å²	30.9	14%	0.136	16%	0.161	C	C	.	.			trans	-66.3	147.4	171.8	30.3	-36.8	0	0	0	110.5	I256 T258 I260 Q282 I283	I256-P280 WeakPolarHBondContact O-CG 3.4Å; T258-P280 HydrophobicContact CG2-CB 4.25Å; I260-P280 HydrophobicContact CG2-CG 3.57Å; P280-Q282 PolarHBondContact O-N 3.09Å; P280-Q282 VanDerWaalsContact O-N 3.13Å; P280-I283 WeakPolarHBondContact O-CB 3.07Å; P280-I283 WeakPolarHBondContact O-CG2 3.44Å; P280-I283 PolarHBondContact O-N 2.8Å; P280-I283 VanDerWaalsContact O-N 3.08Å
281	I	96.7	Very high	94.6	Very high	73 Å²	73	29.8 Å²	29.8	37%	0.374	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-57.9	-29.8	179	-171.5	166.5	0	0	0	112.6	I283 I284 P303 E305	I281-I283 PolarHBondContact O-N 2.82Å; I281-I283 VanDerWaalsContact O-N 3.07Å; I281-I284 HydrophobicContact CG1-CD1 4.08Å; I281-I284 WeakPolarHBondContact O-CG1 3.46Å; I281-I284 WeakPolarHBondContact O-CG2 3.28Å; I281-I284 PolarHBondContact O-N 3.41Å; I281-P303 HydrophobicContact CB-CB 4.32Å; I281-P303 HydrophobicContact CB-CG 4.36Å; I281-P303 HydrophobicContact CG1-CB 4.23Å; I281-E305 HydrophobicContact CD1-CG 4.3Å; I281-E305 VanDerWaalsContact CD1-OE2 3.32Å; I281-E305 WeakPolarHBondContact CD1-OE2 3.36Å
282	Q	97.7	Very high	94.6	Very high	67 Å²	67	29.8 Å²	29.8	31%	0.313	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-61.7	-15.3	178.7	-71.2	75	16.3	0	0	113.9	T258 G261 P280 I284 N285	T258-Q282 WeakPolarHBondContact O-CB 3.37Å; T258-Q282 WeakPolarHBondContact O-CG 3.48Å; G261-Q282 VanDerWaalsContact CA-O 3.24Å; G261-Q282 WeakPolarHBondContact CA-O 3.48Å; P280-Q282 PolarHBondContact O-N 3.09Å; P280-Q282 VanDerWaalsContact O-N 3.13Å; Q282-I284 PolarHBondContact O-N 3.28Å; Q282-I284 VanDerWaalsContact O-N 3.08Å; Q282-N285 VanDerWaalsContact O-CB 3.32Å; Q282-N285 WeakPolarHBondContact O-CB 3.41Å; Q282-N285 PolarHBondContact O-N 3.11Å
283	I	97.5	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-55.3	-27.1	173	-165.3	64.2	0	0	0	112.2	I260 L269 L279 P280 I281 N285 C286 L289 F306	I260-I283 HydrophobicContact CG1-CD1 3.61Å; I260-I283 HydrophobicContact CG2-CD1 4.39Å; L269-I283 HydrophobicContact CD2-CD1 3.92Å; L279-I283 HydrophobicContact CB-CG2 4.32Å; L279-I283 HydrophobicContact CD1-CG1 4.4Å; P280-I283 WeakPolarHBondContact O-CB 3.07Å; P280-I283 WeakPolarHBondContact O-CG2 3.44Å; P280-I283 PolarHBondContact O-N 2.8Å; P280-I283 VanDerWaalsContact O-N 3.08Å; I281-I283 PolarHBondContact O-N 2.82Å; I281-I283 VanDerWaalsContact O-N 3.07Å; I283-N285 PolarHBondContact O-N 3.47Å; I283-C286 WeakPolarHBondContact O-CB 3.42Å; I283-C286 PolarHBondContact O-N 3.41Å; I283-C286 VanDerWaalsContact O-N 3.09Å; I283-L289 HydrophobicContact CD1-CD1 3.73Å; I283-L289 HydrophobicContact CG1-CD1 3.96Å; I283-F306 HydrophobicContact CG2-CD2 4.09Å; I283-F306 HydrophobicContact CG2-CE2 4.24Å
284	I	95.9	Very high	94.9	Very high	16 Å²	16	25.4 Å²	25.4	8%	0.082	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17.8	178	72.9	-170.9	0	0	0	113.4	I281 Q282 C286 E305 R308	I281-I284 HydrophobicContact CG1-CD1 4.08Å; I281-I284 WeakPolarHBondContact O-CG1 3.46Å; I281-I284 WeakPolarHBondContact O-CG2 3.28Å; I281-I284 PolarHBondContact O-N 3.41Å; Q282-I284 PolarHBondContact O-N 3.28Å; Q282-I284 VanDerWaalsContact O-N 3.08Å; I284-C286 VanDerWaalsContact C-N 3.28Å; I284-E305 HydrophobicContact CD1-CB 3.96Å; I284-E305 HydrophobicContact CD1-CG 4.46Å; I284-E305 HydrophobicContact CG2-CB 4Å; I284-E305 WeakPolarHBondContact CG2-O 3.15Å; I284-R308 HydrophobicContact CB-CB 4.39Å
285	N	97.3	Very high	94.8	Very high	74 Å²	74	28.9 Å²	28.9	40%	0.396	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-73.1	-25.3	175.8	-66.8	-4	0	0	0	111.6	G261 L264 Q282 I283 S287	G261-N285 VanDerWaalsContact O-CB 3.23Å; G261-N285 WeakPolarHBondContact O-CB 3.49Å; L264-N285 HydrophobicContact CD2-CB 4.33Å; Q282-N285 VanDerWaalsContact O-CB 3.32Å; Q282-N285 WeakPolarHBondContact O-CB 3.41Å; Q282-N285 PolarHBondContact O-N 3.11Å; I283-N285 PolarHBondContact O-N 3.47Å; N285-S287 PolarHBondContact O-N 3.07Å
286	C	97.4	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.			trans	-73.7	60.4	172.2	-54.9	0	0	0	0	110.1	I260 L263 L266 I283 I284 K288 L289	I260-C286 PolarHBondContact O-SG 3.11Å; L263-C286 PolarHBondContact O-SG 2.74Å; L266-C286 HydrophobicContact CB-CB 4.34Å; I283-C286 WeakPolarHBondContact O-CB 3.42Å; I283-C286 PolarHBondContact O-N 3.41Å; I283-C286 VanDerWaalsContact O-N 3.09Å; I284-C286 VanDerWaalsContact C-N 3.28Å; C286-K288 PolarHBondContact O-N 3.31Å; C286-L289 HydrophobicContact CB-CD1 3.42Å; C286-L289 VanDerWaalsContact CB-CD1 3.42Å; C286-L289 HydrophobicContact CB-CG 3.69Å; C286-L289 WeakPolarHBondContact O-CB 3.5Å; C286-L289 WeakPolarHBondContact O-CG 3.47Å; C286-L289 PolarHBondContact O-N 3.27Å
287	S	94.7	Very high	94.5	Very high	46 Å²	46	28.7 Å²	28.7	32%	0.322	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.4	-171.6	66	0	0	0	0	114.2	N285 K311	N285-S287 PolarHBondContact O-N 3.07Å; S287-K311 WeakPolarHBondContact O-CD 3.49Å
288	K	97	Very high	94.2	Very high	56 Å²	56	28.7 Å²	28.7	24%	0.243	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.8	174.9	-61.7	-168.6	-172.8	178.5	0	113.8	E265 L266 R267 C286 R290	E265-K288 WeakPolarHBondContact OE1-CE 3.48Å; E265-K288 IonicContact OE1-NZ 3.3Å; E265-K288 PolarHBondContact OE1-NZ 3.01Å; E265-K288 IonicContact OE2-NZ 2.73Å; E265-K288 PolarHBondContact OE2-NZ 3.08Å; L266-K288 CarbonylContact O-C 3.46Å; R267-K288 HydrophobicContact CG-CB 4.25Å; C286-K288 PolarHBondContact O-N 3.31Å; K288-R290 PolarHBondContact O-N 3.18Å
289	L	97.9	Very high	94	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.			trans	-56.1	128.2	179	-81	170.5	0	0	0	111.6	L266 L269 I283 C286 I292 L309 K311 L312	L266-L289 HydrophobicContact CB-CD2 4.34Å; L266-L289 HydrophobicContact CD2-CD2 3.95Å; L266-L289 HydrophobicContact CG-CD2 3.87Å; L266-L289 WeakPolarHBondContact O-CA 3.42Å; L266-L289 PolarHBondContact O-N 2.98Å; L269-L289 HydrophobicContact CB-CD2 4.13Å; I283-L289 HydrophobicContact CD1-CD1 3.73Å; I283-L289 HydrophobicContact CG1-CD1 3.96Å; C286-L289 HydrophobicContact CB-CD1 3.42Å; C286-L289 VanDerWaalsContact CB-CD1 3.42Å; C286-L289 HydrophobicContact CB-CG 3.69Å; C286-L289 WeakPolarHBondContact O-CB 3.5Å; C286-L289 WeakPolarHBondContact O-CG 3.47Å; C286-L289 PolarHBondContact O-N 3.27Å; L289-I292 HydrophobicContact CD1-CD1 3.98Å; L289-I292 HydrophobicContact CD1-CG1 4.26Å; L289-I292 HydrophobicContact CD2-CG1 4.31Å; L289-L309 HydrophobicContact CB-CD2 4.39Å; L289-L309 HydrophobicContact CD1-CD1 4.4Å; L289-L309 HydrophobicContact CD1-CD2 4.28Å; L289-K311 CarbonylContact O-C 3.21Å; L289-L312 HydrophobicContact CB-CD1 4.33Å; L289-L312 WeakPolarHBondContact O-CA 3.36Å; L289-L312 PolarHBondContact O-N 3.08Å; L289-L312 VanDerWaalsContact O-N 3.14Å
290	R	97.3	Very high	93.2	Very high	35 Å²	35	30.1 Å²	30.1	13%	0.132	15%	0.154	C	C	.	.			trans	-116.7	-35.5	178	-70.6	172.3	174.7	-159.5	2.4	110.8	D93 E94 R267 K288 K313 A314	D93-R290 WeakPolarHBondContact OD1-CD 3.24Å; D93-R290 IonicContact OD1-CZ 2.74Å; D93-R290 IonicContact OD1-NE 3.92Å; D93-R290 IonicContact OD1-NH1 3.52Å; D93-R290 PolarHBondContact OD1-NH1 3.48Å; E94-R290 IonicContact OE2-CZ 2.79Å; E94-R290 IonicContact OE2-NH1 3.93Å; E94-R290 PolarHBondContact OE2-NH1 3.1Å; E94-R290 VanDerWaalsContact OE2-NH1 3.14Å; E94-R290 IonicContact OE2-NH2 3.84Å; E94-R290 PolarHBondContact OE2-NH2 2.84Å; R267-R290 PolarHBondContact O-N 2.75Å; K288-R290 PolarHBondContact O-N 3.18Å; R290-K313 PolarHBondContact O-N 2.77Å; R290-A314 PolarHBondContact O-N 3.02Å
291	T	97.1	Very high	92.7	Very high	20 Å²	20	31.9 Å²	31.9	12%	0.123	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.7	-179.7	-59.2	0	0	0	0	111	R267 C268 L269 A314	R267-T291 PolarHBondContact O-N 2.91Å; C268-T291 WeakPolarHBondContact CA-O 3.26Å; L269-T291 PolarHBondContact N-O 2.92Å; T291-A314 WeakPolarHBondContact CA-O 3.21Å; T291-A314 HydrophobicContact CG2-CB 4.13Å
292	I	97.6	Very high	92.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.7	171	-66.6	170.7	0	0	0	108.3	L269 L289 L294 F306 L309 L312 A314 L315 H316	L269-I292 HydrophobicContact CB-CG1 4.48Å; L269-I292 WeakPolarHBondContact O-CA 3Å; L289-I292 HydrophobicContact CD1-CD1 3.98Å; L289-I292 HydrophobicContact CD1-CG1 4.26Å; L289-I292 HydrophobicContact CD2-CG1 4.31Å; I292-L294 HydrophobicContact CG2-CD1 4.06Å; I292-L294 HydrophobicContact CG2-CD2 3.84Å; I292-L294 HydrophobicContact CG2-CG 3.67Å; I292-F306 HydrophobicContact CD1-CE2 4.09Å; I292-F306 HydrophobicContact CD1-CZ 3.78Å; I292-L309 HydrophobicContact CD1-CD1 3.71Å; I292-L312 HydrophobicContact CB-CD1 4.23Å; I292-L312 HydrophobicContact CD1-CD1 3.69Å; I292-L312 HydrophobicContact CD1-CD2 4.26Å; I292-L312 HydrophobicContact CG1-CD1 3.67Å; I292-A314 PolarHBondContact N-O 3.04Å; I292-A314 VanDerWaalsContact N-O 3.08Å; I292-L315 HydrophobicContact CB-CD1 4.06Å; I292-L315 HydrophobicContact CG2-CD1 4.04Å; I292-L315 WeakPolarHBondContact O-CA 3.4Å; I292-H316 PolarHBondContact O-N 2.98Å
293	N	95.7	Very high	92.1	Very high	18 Å²	18	26.8 Å²	26.8	10%	0.096	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.1	174.2	-167.6	-24.5	0	0	0	111	L269 L270 A271 K272 Y295 H316	L269-N293 PolarHBondContact O-N 2.79Å; L270-N293 HydrophobicContact CD2-CB 3.68Å; A271-N293 CarbonylContact C-O 3.54Å; A271-N293 PolarHBondContact N-O 3.24Å; K272-N293 HydrophobicContact CG-CB 4.47Å; N293-Y295 WeakPolarHBondContact OD1-CB 3.33Å; N293-Y295 PolarHBondContact OD1-N 3.08Å; N293-H316 HydrophobicContact CB-CB 4.21Å; N293-H316 WeakPolarHBondContact OD1-CB 3.22Å
294	L	93.4	Very high	91.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.			trans	-113.7	23.3	177.7	-52.2	173.3	0	0	0	111.6	A271 L276 L279 I292 N297 I299 H316 L317	A271-L294 HydrophobicContact CB-CD2 4.03Å; L276-L294 HydrophobicContact CD1-CD2 4.19Å; L279-L294 HydrophobicContact CD1-CD1 3.8Å; L279-L294 HydrophobicContact CD1-CD2 4.34Å; L279-L294 HydrophobicContact CD2-CD2 4Å; L279-L294 HydrophobicContact CG-CD1 4.13Å; L279-L294 HydrophobicContact CG-CD2 4.49Å; I292-L294 HydrophobicContact CG2-CD1 4.06Å; I292-L294 HydrophobicContact CG2-CD2 3.84Å; I292-L294 HydrophobicContact CG2-CG 3.67Å; L294-N297 VanDerWaalsContact C-ND2 3.28Å; L294-N297 WeakPolarHBondContact CA-ND2 3.41Å; L294-N297 WeakPolarHBondContact O-CB 3.41Å; L294-N297 PolarHBondContact O-N 3.25Å; L294-N297 PolarHBondContact O-ND2 3.02Å; L294-I299 HydrophobicContact CB-CG1 4.23Å; L294-I299 HydrophobicContact CD1-CD1 4.07Å; L294-I299 HydrophobicContact CD1-CG1 3.97Å; L294-H316 PolarHBondContact N-O 2.78Å; L294-L317 HydrophobicContact CB-CD2 4.13Å; L294-L317 HydrophobicContact CD1-CD2 3.93Å
295	Y	89.5	Confident	91.5	Very high	73 Å²	73	35 Å²	35	29%	0.286	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	139.5	-179.7	179.3	-91.2	0	0	0	112.2	K272 R273 N293 N297 D318 R407	K272-Y295 CarbonylContact C-O 3.6Å; K272-Y295 WeakPolarHBondContact CA-O 3.48Å; K272-Y295 WeakPolarHBondContact CB-O 3.44Å; R273-Y295 PolarHBondContact N-O 3.13Å; N293-Y295 WeakPolarHBondContact OD1-CB 3.33Å; N293-Y295 PolarHBondContact OD1-N 3.08Å; Y295-N297 VanDerWaalsContact C-N 3.31Å; Y295-N297 PolarHBondContact O-N 2.99Å; Y295-D318 HydrophobicContact CD2-CB 3.28Å; Y295-D318 HydrophobicContact CE2-CB 3.54Å; Y295-D318 VanDerWaalsContact CE2-CG 3.45Å; Y295-D318 WeakPolarHBondContact CE2-OD2 3.42Å; Y295-D318 HydrophobicContact CG-CB 4.01Å; Y295-D318 VanDerWaalsContact CZ-OD2 3.27Å; Y295-R407 PolarHBondContact OH-NH1 2.97Å
296	G	85.2	Confident	91.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	20.9	178.9	0	0	0	0	0	115.9	R273 R320	R273-G296 WeakPolarHBondContact CA-O 3.38Å; G296-R320 VanDerWaalsContact CA-NE 3.34Å; G296-R320 VanDerWaalsContact O-CD 3.31Å; G296-R320 WeakPolarHBondContact O-CD 3.4Å; G296-R320 PolarHBondContact O-NE 3.08Å; G296-R320 VanDerWaalsContact O-NE 3.17Å; G296-R320 PolarHBondContact O-NH1 3.03Å; G296-R320 VanDerWaalsContact O-NH1 3.12Å
297	N	87.5	Confident	90.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-94.8	-170.9	171.2	-74.3	-60.5	0	0	0	112.5	A271 M274 G275 L276 L294 Y295 I299	A271-N297 PolarHBondContact O-ND2 3.31Å; M274-N297 WeakPolarHBondContact CA-OD1 3.36Å; M274-N297 PolarHBondContact N-OD1 2.8Å; G275-N297 PolarHBondContact N-OD1 2.77Å; L276-N297 HydrophobicContact CB-CB 4.11Å; L276-N297 PolarHBondContact N-OD1 3.42Å; L294-N297 VanDerWaalsContact C-ND2 3.28Å; L294-N297 WeakPolarHBondContact CA-ND2 3.41Å; L294-N297 WeakPolarHBondContact O-CB 3.41Å; L294-N297 PolarHBondContact O-N 3.25Å; L294-N297 PolarHBondContact O-ND2 3.02Å; Y295-N297 VanDerWaalsContact C-N 3.31Å; Y295-N297 PolarHBondContact O-N 2.99Å; N297-I299 HydrophobicContact CB-CD1 4.46Å; N297-I299 HydrophobicContact CB-CG1 3.97Å
298	E	82.3	Confident	90.7	Very high	47 Å²	47	38.1 Å²	38.1	22%	0.22	19%	0.19	C	C	.	.			trans	-115.2	32.3	179.4	-52.2	-173.1	-169.1	0	0	111.4	L276 S277 T300 H321	L276-E298 CarbonylContact O-C 3.46Å; L276-E298 WeakPolarHBondContact O-CA 3.47Å; L276-E298 PolarHBondContact O-N 2.96Å; S277-E298 WeakPolarHBondContact CA-O 3.16Å; E298-T300 PolarHBondContact O-N 2.96Å; E298-H321 HydrophobicContact CB-CB 3.95Å; E298-H321 VanDerWaalsContact CD-CG 3.49Å; E298-H321 HydrophobicContact CG-CB 3.81Å; E298-H321 IonicContact OE1-CD2 3.88Å; E298-H321 PolarHBondContact OE1-CD2 3.03Å; E298-H321 IonicContact OE1-CE1 3.78Å; E298-H321 PolarHBondContact OE1-CE1 3.06Å; E298-H321 IonicContact OE1-CG 3.54Å; E298-H321 IonicContact OE1-ND1 2.72Å; E298-H321 IonicContact OE1-NE2 3.08Å; E298-H321 PolarHBondContact OE1-NE2 3.02Å; E298-H321 IonicContact OE2-CD2 3.62Å; E298-H321 PolarHBondContact OE2-CD2 2.91Å; E298-H321 IonicContact OE2-CG 3.65Å; E298-H321 IonicContact OE2-NE2 3.39Å
299	I	86.1	Confident	90.5	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.118	18%	0.179	C	C	.	.			trans	-62.4	111.3	-172.7	-58.7	-65.9	0	0	0	110	L276 S277 L294 N297 L302 L317 P391	L276-I299 HydrophobicContact CB-CD1 3.75Å; L276-I299 PolarHBondContact O-N 3.03Å; L276-I299 VanDerWaalsContact O-N 3.15Å; S277-I299 WeakPolarHBondContact O-CA 3.32Å; L294-I299 HydrophobicContact CB-CG1 4.23Å; L294-I299 HydrophobicContact CD1-CD1 4.07Å; L294-I299 HydrophobicContact CD1-CG1 3.97Å; N297-I299 HydrophobicContact CB-CD1 4.46Å; N297-I299 HydrophobicContact CB-CG1 3.97Å; I299-L302 HydrophobicContact CG2-CD2 3.94Å; I299-L302 HydrophobicContact CG2-CG 4.04Å; I299-L317 HydrophobicContact CB-CD2 4.47Å; I299-L317 HydrophobicContact CG2-CD2 4.39Å; I299-P391 HydrophobicContact CG2-CG 4.16Å
300	T	77.6	Confident	90.1	Very high	60 Å²	60	41.3 Å²	41.3	37%	0.368	20%	0.201	S	C	.	.			trans	-111.7	-19	178.1	48.2	0	0	0	0	112.5	S277 E298 A325	S277-T300 PolarHBondContact O-N 3.17Å; S277-T300 PolarHBondContact O-OG1 2.9Å; E298-T300 PolarHBondContact O-N 2.96Å; T300-A325 HydrophobicContact CG2-CB 3.8Å
301	S	85.7	Confident	89.9	Confident	58 Å²	58	42.8 Å²	42.8	41%	0.406	21%	0.209	S	C	.	.			trans	-146.1	155.7	175.9	59.8	0	0	0	0	109.2	T278	T278-S301 WeakPolarHBondContact CA-O 3.14Å; T278-S301 WeakPolarHBondContact CB-O 3.15Å; T278-S301 PolarHBondContact OG1-O 3.2Å
302	L	90.7	Very high	89.8	Confident	16 Å²	16	41.9 Å²	41.9	8%	0.084	20%	0.203	C	C	.	.			trans	-128.6	154.4	166.9	-70.2	171.6	0	0	0	106.7	L279 I299 F306 P391 A393 I394	L279-L302 HydrophobicContact CB-CD2 4.28Å; L279-L302 HydrophobicContact CD1-CD2 4.09Å; L279-L302 HydrophobicContact CG-CD2 4.11Å; I299-L302 HydrophobicContact CG2-CD2 3.94Å; I299-L302 HydrophobicContact CG2-CG 4.04Å; L302-F306 HydrophobicContact CB-CB 4.28Å; L302-F306 HydrophobicContact CB-CG 4.23Å; L302-F306 HydrophobicContact CD1-CD1 3.87Å; L302-F306 HydrophobicContact CD1-CE1 3.83Å; L302-F306 HydrophobicContact CD1-CG 4.27Å; L302-F306 HydrophobicContact CD1-CZ 4.2Å; L302-F306 HydrophobicContact CD2-CD2 4.43Å; L302-F306 HydrophobicContact CD2-CE2 4.31Å; L302-P391 HydrophobicContact CB-CB 4.2Å; L302-P391 HydrophobicContact CD1-CB 4.15Å; L302-P391 HydrophobicContact CD1-CG 4.28Å; L302-P391 HydrophobicContact CG-CB 4.1Å; L302-P391 HydrophobicContact CG-CG 4.15Å; L302-A393 HydrophobicContact CB-CB 4.34Å; L302-I394 HydrophobicContact CD1-CG2 3.69Å
303	P	91.4	Very high	89.7	Confident	17 Å²	17	45.7 Å²	45.7	11%	0.11	22%	0.22	C	C	.	.			trans	-52.1	142.5	173.6	-23.7	32.5	0	0	0	111.1	L279 I281 E305 F306	L279-P303 WeakPolarHBondContact O-CG 3.39Å; I281-P303 HydrophobicContact CB-CB 4.32Å; I281-P303 HydrophobicContact CB-CG 4.36Å; I281-P303 HydrophobicContact CG1-CB 4.23Å; P303-E305 PolarHBondContact O-N 3.09Å; P303-F306 WeakPolarHBondContact O-CB 3.28Å; P303-F306 PolarHBondContact O-N 3.2Å
304	D	88.2	Confident	89.6	Confident	110 Å²	110	45.2 Å²	45.2	59%	0.588	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-61.3	-29.6	178.2	-92.3	-43.9	0	0	0	112	F306 K396	D304-F306 PolarHBondContact O-N 3.17Å; D304-K396 IonicContact OD1-NZ 2.71Å; D304-K396 PolarHBondContact OD1-NZ 2.81Å
305	E	92.5	Very high	89.6	Confident	78 Å²	78	45.2 Å²	45.2	36%	0.364	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-75.1	-3.6	175.5	-62.8	80.8	-177.1	0	0	113.5	I281 I284 P303 S307 R308	I281-E305 HydrophobicContact CD1-CG 4.3Å; I281-E305 VanDerWaalsContact CD1-OE2 3.32Å; I281-E305 WeakPolarHBondContact CD1-OE2 3.36Å; I284-E305 HydrophobicContact CD1-CB 3.96Å; I284-E305 HydrophobicContact CD1-CG 4.46Å; I284-E305 HydrophobicContact CG2-CB 4Å; I284-E305 WeakPolarHBondContact CG2-O 3.15Å; P303-E305 PolarHBondContact O-N 3.09Å; E305-S307 PolarHBondContact O-N 3.25Å; E305-R308 HydrophobicContact CB-CG 4.44Å; E305-R308 WeakPolarHBondContact O-CB 3.31Å; E305-R308 VanDerWaalsContact O-CG 3.31Å; E305-R308 WeakPolarHBondContact O-CG 3.32Å; E305-R308 PolarHBondContact O-N 3.1Å
306	F	90.9	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-55.7	-27.7	-179.3	-166.6	-104.2	0	0	0	112.2	L279 I283 I292 L302 P303 D304 R308 L309 L312 L315 A393 L397	L279-F306 HydrophobicContact CD1-CE2 3.66Å; L279-F306 HydrophobicContact CD1-CZ 4.26Å; I283-F306 HydrophobicContact CG2-CD2 4.09Å; I283-F306 HydrophobicContact CG2-CE2 4.24Å; I292-F306 HydrophobicContact CD1-CE2 4.09Å; I292-F306 HydrophobicContact CD1-CZ 3.78Å; L302-F306 HydrophobicContact CB-CB 4.28Å; L302-F306 HydrophobicContact CB-CG 4.23Å; L302-F306 HydrophobicContact CD1-CD1 3.87Å; L302-F306 HydrophobicContact CD1-CE1 3.83Å; L302-F306 HydrophobicContact CD1-CG 4.27Å; L302-F306 HydrophobicContact CD1-CZ 4.2Å; L302-F306 HydrophobicContact CD2-CD2 4.43Å; L302-F306 HydrophobicContact CD2-CE2 4.31Å; P303-F306 WeakPolarHBondContact O-CB 3.28Å; P303-F306 PolarHBondContact O-N 3.2Å; D304-F306 PolarHBondContact O-N 3.17Å; F306-R308 PolarHBondContact O-N 3.17Å; F306-R308 VanDerWaalsContact O-N 3.11Å; F306-L309 HydrophobicContact CD2-CD1 3.92Å; F306-L309 HydrophobicContact CE1-CD1 4.46Å; F306-L309 HydrophobicContact CE2-CD1 3.6Å; F306-L309 HydrophobicContact CG-CD1 4.47Å; F306-L309 HydrophobicContact CZ-CD1 3.91Å; F306-L309 WeakPolarHBondContact O-CB 3.42Å; F306-L309 PolarHBondContact O-N 2.9Å; F306-L309 VanDerWaalsContact O-N 3.09Å; F306-L312 HydrophobicContact CE1-CD2 4.17Å; F306-L312 HydrophobicContact CZ-CD2 4.4Å; F306-L315 HydrophobicContact CE1-CD1 4.5Å; F306-L315 HydrophobicContact CE1-CD2 4.21Å; F306-L315 HydrophobicContact CZ-CD1 4.38Å; F306-A393 HydrophobicContact CB-CB 4.22Å; F306-L397 HydrophobicContact CD1-CD1 4.22Å; F306-L397 HydrophobicContact CD1-CD2 4.42Å; F306-L397 HydrophobicContact CE1-CD1 4.08Å
307	S	88.3	Confident	89.8	Confident	39 Å²	39	42.7 Å²	42.7	27%	0.273	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63.2	-12.9	173	67.7	0	0	0	0	114.9	E305 L309 K396	E305-S307 PolarHBondContact O-N 3.25Å; S307-L309 PolarHBondContact O-N 3.04Å; S307-K396 VanDerWaalsContact CB-CB 3.43Å
308	R	92.4	Very high	89.3	Confident	148 Å²	148	43.6 Å²	43.6	56%	0.558	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-71.3	-11.9	172.8	-68	176.2	64.4	177.5	-4.2	112.6	I284 E305 F306 Y310	I284-R308 HydrophobicContact CB-CB 4.39Å; E305-R308 HydrophobicContact CB-CG 4.44Å; E305-R308 WeakPolarHBondContact O-CB 3.31Å; E305-R308 VanDerWaalsContact O-CG 3.31Å; E305-R308 WeakPolarHBondContact O-CG 3.32Å; E305-R308 PolarHBondContact O-N 3.1Å; F306-R308 PolarHBondContact O-N 3.17Å; F306-R308 VanDerWaalsContact O-N 3.11Å; R308-Y310 WeakPolarHBondContact O-CD1 3.16Å; R308-Y310 PolarHBondContact O-N 3.09Å
309	L	93.5	Very high	88.4	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.211	C	C	.	.			trans	-73.5	62.1	167.9	-60.7	178.7	0	0	0	110.3	L289 I292 F306 S307 K311 L312 L397	L289-L309 HydrophobicContact CB-CD2 4.39Å; L289-L309 HydrophobicContact CD1-CD1 4.4Å; L289-L309 HydrophobicContact CD1-CD2 4.28Å; I292-L309 HydrophobicContact CD1-CD1 3.71Å; F306-L309 HydrophobicContact CD2-CD1 3.92Å; F306-L309 HydrophobicContact CE1-CD1 4.46Å; F306-L309 HydrophobicContact CE2-CD1 3.6Å; F306-L309 HydrophobicContact CG-CD1 4.47Å; F306-L309 HydrophobicContact CZ-CD1 3.91Å; F306-L309 WeakPolarHBondContact O-CB 3.42Å; F306-L309 PolarHBondContact O-N 2.9Å; F306-L309 VanDerWaalsContact O-N 3.09Å; S307-L309 PolarHBondContact O-N 3.04Å; L309-K311 PolarHBondContact O-N 3.07Å; L309-K311 VanDerWaalsContact O-N 3.08Å; L309-L312 HydrophobicContact CB-CB 4.1Å; L309-L312 WeakPolarHBondContact O-CB 3.06Å; L309-L312 PolarHBondContact O-N 2.74Å; L309-L397 HydrophobicContact CB-CD2 4.5Å
310	Y	89.4	Confident	87	Confident	121 Å²	121	45.7 Å²	45.7	48%	0.475	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.7	-173.1	70.6	-85.7	0	0	0	113.4	R308 R399	R308-Y310 WeakPolarHBondContact O-CD1 3.16Å; R308-Y310 PolarHBondContact O-N 3.09Å; Y310-R399 WeakPolarHBondContact O-CB 3.27Å; Y310-R399 WeakPolarHBondContact O-CD 3.42Å; Y310-R399 PolarHBondContact O-NE 3.5Å; Y310-R399 PolarHBondContact O-NH1 2.74Å
311	K	93.9	Very high	86	Confident	66 Å²	66	44.4 Å²	44.4	29%	0.287	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.4	172.9	-65	-171.5	-172.2	172.1	0	113.2	S287 L289 L309 K313	S287-K311 WeakPolarHBondContact O-CD 3.49Å; L289-K311 CarbonylContact O-C 3.21Å; L309-K311 PolarHBondContact O-N 3.07Å; L309-K311 VanDerWaalsContact O-N 3.08Å; K311-K313 PolarHBondContact O-N 2.8Å
312	L	94.6	Very high	84.5	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.197	C	C	.	.			trans	-63.7	123	-179.2	-161	74.3	0	0	0	110.1	L289 I292 F306 L309 L315 L397 R399 L400	L289-L312 HydrophobicContact CB-CD1 4.33Å; L289-L312 WeakPolarHBondContact O-CA 3.36Å; L289-L312 PolarHBondContact O-N 3.08Å; L289-L312 VanDerWaalsContact O-N 3.14Å; I292-L312 HydrophobicContact CB-CD1 4.23Å; I292-L312 HydrophobicContact CD1-CD1 3.69Å; I292-L312 HydrophobicContact CD1-CD2 4.26Å; I292-L312 HydrophobicContact CG1-CD1 3.67Å; F306-L312 HydrophobicContact CE1-CD2 4.17Å; F306-L312 HydrophobicContact CZ-CD2 4.4Å; L309-L312 HydrophobicContact CB-CB 4.1Å; L309-L312 WeakPolarHBondContact O-CB 3.06Å; L309-L312 PolarHBondContact O-N 2.74Å; L312-L315 HydrophobicContact CD2-CB 4.24Å; L312-L397 HydrophobicContact CD2-CD1 3.92Å; L312-L397 HydrophobicContact CD2-CD2 4.28Å; L312-R399 CarbonylContact O-C 3.49Å; L312-L400 HydrophobicContact CD2-CD1 4.27Å; L312-L400 HydrophobicContact CG-CD1 4.32Å; L312-L400 PolarHBondContact O-N 2.76Å
313	K	94.9	Very high	82.9	Confident	81 Å²	81	43 Å²	43	35%	0.352	20%	0.195	S	C	.	.			trans	-105.2	-42.8	-179.8	-65.4	-176.7	-177.1	175.7	0	111	R290 K311 L400 T401 A402	R290-K313 PolarHBondContact O-N 2.77Å; K311-K313 PolarHBondContact O-N 2.8Å; K313-L400 WeakPolarHBondContact O-CD1 3.09Å; K313-T401 PolarHBondContact O-N 3.4Å; K313-T401 PolarHBondContact O-OG1 3.2Å; K313-T401 VanDerWaalsContact O-OG1 3.1Å; K313-A402 PolarHBondContact O-N 2.73Å
314	A	93.6	Very high	81.2	Confident	8 Å²	8	48.6 Å²	48.6	7%	0.066	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.4	-177.4	0	0	0	0	0	111.7	R290 T291 I292 A402	R290-A314 PolarHBondContact O-N 3.02Å; T291-A314 WeakPolarHBondContact CA-O 3.21Å; T291-A314 HydrophobicContact CG2-CB 4.13Å; I292-A314 PolarHBondContact N-O 3.04Å; I292-A314 VanDerWaalsContact N-O 3.08Å; A314-A402 WeakPolarHBondContact CA-O 3.29Å; A314-A402 HydrophobicContact CB-CB 4.24Å
315	L	94.4	Very high	79.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.7	174.3	178.1	63.6	0	0	0	109.4	I292 F306 L312 L317 I394 L397 L400 A402 L403 H404	I292-L315 HydrophobicContact CB-CD1 4.06Å; I292-L315 HydrophobicContact CG2-CD1 4.04Å; I292-L315 WeakPolarHBondContact O-CA 3.4Å; F306-L315 HydrophobicContact CE1-CD1 4.5Å; F306-L315 HydrophobicContact CE1-CD2 4.21Å; F306-L315 HydrophobicContact CZ-CD1 4.38Å; L312-L315 HydrophobicContact CD2-CB 4.24Å; L315-L317 HydrophobicContact CD1-CD2 4.42Å; L315-L317 HydrophobicContact CD1-CG 4.48Å; L315-L317 HydrophobicContact CD2-CD1 4.14Å; L315-L317 HydrophobicContact CD2-CG 4.4Å; L315-L317 HydrophobicContact CG-CD1 4.44Å; L315-L317 HydrophobicContact CG-CG 4.17Å; L315-I394 HydrophobicContact CD2-CB 4.16Å; L315-I394 HydrophobicContact CD2-CG2 3.68Å; L315-L397 HydrophobicContact CD2-CD1 4.17Å; L315-L400 HydrophobicContact CB-CD1 3.9Å; L315-A402 PolarHBondContact N-O 2.78Å; L315-L403 HydrophobicContact CB-CD1 4.45Å; L315-L403 HydrophobicContact CD2-CD1 4.49Å; L315-H404 PolarHBondContact O-N 3.08Å
316	H	91.4	Very high	77.8	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.032	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.3	176.4	-48.2	-113	0	0	0	110.1	S89 I292 N293 L294 H404	S89-H316 PolarHBondContact OG-CE1 3.09Å; S89-H316 VanDerWaalsContact OG-CE1 3.25Å; S89-H316 PolarHBondContact OG-NE2 3Å; S89-H316 VanDerWaalsContact OG-NE2 3.09Å; I292-H316 PolarHBondContact O-N 2.98Å; N293-H316 HydrophobicContact CB-CB 4.21Å; N293-H316 WeakPolarHBondContact OD1-CB 3.22Å; L294-H316 PolarHBondContact N-O 2.78Å; H316-H404 HydrophobicContact CB-CB 4.23Å; H316-H404 AromaticContact CE1-CD2 3.2Å; H316-H404 PolarHBondContact CE1-CD2 2.92Å; H316-H404 AromaticContact CE1-CE1 3.81Å; H316-H404 AromaticContact CE1-CG 3.83Å; H316-H404 AromaticContact CE1-NE2 3.2Å; H316-H404 PolarHBondContact CE1-NE2 3.19Å; H316-H404 AromaticContact CG-CD2 3.86Å; H316-H404 AromaticContact ND1-CD2 3.17Å; H316-H404 PolarHBondContact ND1-CD2 2.95Å; H316-H404 AromaticContact ND1-CE1 3.95Å; H316-H404 AromaticContact ND1-CG 3.36Å; H316-H404 AromaticContact ND1-ND1 3.85Å; H316-H404 AromaticContact ND1-NE2 3.58Å; H316-H404 AromaticContact NE2-CD2 3.88Å
317	L	87.1	Confident	76.1	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.073	22%	0.219	C	C	.	.			trans	-126.3	148	172.8	-61.4	172.6	0	0	0	108.3	L294 I299 L315 I394 H404 L405	L294-L317 HydrophobicContact CB-CD2 4.13Å; L294-L317 HydrophobicContact CD1-CD2 3.93Å; I299-L317 HydrophobicContact CB-CD2 4.47Å; I299-L317 HydrophobicContact CG2-CD2 4.39Å; L315-L317 HydrophobicContact CD1-CD2 4.42Å; L315-L317 HydrophobicContact CD1-CG 4.48Å; L315-L317 HydrophobicContact CD2-CD1 4.14Å; L315-L317 HydrophobicContact CD2-CG 4.4Å; L315-L317 HydrophobicContact CG-CD1 4.44Å; L315-L317 HydrophobicContact CG-CG 4.17Å; L317-I394 HydrophobicContact CD1-CD1 4.43Å; L317-I394 HydrophobicContact CD1-CG2 4.24Å; L317-H404 PolarHBondContact N-O 2.99Å; L317-H404 VanDerWaalsContact N-O 3.11Å; L317-H404 VanDerWaalsContact O-O 3.13Å; L317-L405 HydrophobicContact CB-CD2 4.16Å; L317-L405 HydrophobicContact CD1-CD2 4.31Å
318	D	76.6	Confident	74.5	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.112	24%	0.236	C	C	.	.			trans	-146.4	155.1	172.7	168.6	36.2	0	0	0	108.8	Y295 R407 C408	Y295-D318 HydrophobicContact CD2-CB 3.28Å; Y295-D318 HydrophobicContact CE2-CB 3.54Å; Y295-D318 VanDerWaalsContact CE2-CG 3.45Å; Y295-D318 WeakPolarHBondContact CE2-OD2 3.42Å; Y295-D318 HydrophobicContact CG-CB 4.01Å; Y295-D318 VanDerWaalsContact CZ-OD2 3.27Å; D318-R407 VanDerWaalsContact OD1-CB 3.27Å; D318-R407 WeakPolarHBondContact OD1-CB 3.43Å; D318-C408 VanDerWaalsContact CA-SG 3.58Å
319	Y	63.4	Low	72.3	Confident	37 Å²	37	51.1 Å²	51.1	15%	0.145	25%	0.245	C	C	.	.			trans	-86.4	131.8	179	171.7	-81.9	0	0	0	111.5	F322 I323 R407 C408 Q409	Y319-F322 HydrophobicContact CD2-CB 3.87Å; Y319-F322 HydrophobicContact CE2-CB 3.5Å; Y319-I323 WeakPolarHBondContact OH-CB 3.48Å; Y319-I323 VanDerWaalsContact OH-CG1 3.24Å; Y319-I323 WeakPolarHBondContact OH-CG1 3.17Å; Y319-I323 PolarHBondContact OH-N 3.23Å; Y319-R407 WeakPolarHBondContact CB-O 3.37Å; Y319-C408 VanDerWaalsContact CB-CA 3.44Å; Y319-Q409 VanDerWaalsContact CD1-CD 3.49Å; Y319-Q409 HydrophobicContact CD1-CG 3.63Å; Y319-Q409 HydrophobicContact CD2-CB 4.44Å; Y319-Q409 HydrophobicContact CD2-CG 4.3Å; Y319-Q409 HydrophobicContact CE1-CG 3.89Å; Y319-Q409 HydrophobicContact CE2-CG 4.44Å; Y319-Q409 HydrophobicContact CG-CB 4.42Å; Y319-Q409 HydrophobicContact CG-CG 3.91Å; Y319-Q409 VanDerWaalsContact CZ-CD 3.44Å; Y319-Q409 PolarHBondContact OH-OE1 3.05Å
320	R	57.1	Low	69.9	Low	76 Å²	76	62.1 Å²	62.1	29%	0.287	29%	0.287	S	S	.	.	S	Bend	trans	-121.6	-22	148.2	-64.9	-171.3	-174.7	169.7	-2.6	114.6	R273 G296	R273-R320 VanDerWaalsContact CG-NH2 3.26Å; G296-R320 VanDerWaalsContact CA-NE 3.34Å; G296-R320 VanDerWaalsContact O-CD 3.31Å; G296-R320 WeakPolarHBondContact O-CD 3.4Å; G296-R320 PolarHBondContact O-NE 3.08Å; G296-R320 VanDerWaalsContact O-NE 3.17Å; G296-R320 PolarHBondContact O-NH1 3.03Å; G296-R320 VanDerWaalsContact O-NH1 3.12Å
321	H	55.2	Low	68	Low	33 Å²	33	66 Å²	66	15%	0.153	31%	0.306	C	S	.	.			trans	-145.8	8.7	-158	-83.3	63.7	0	0	0	119	E298 I323 K324 A325	E298-H321 HydrophobicContact CB-CB 3.95Å; E298-H321 VanDerWaalsContact CD-CG 3.49Å; E298-H321 HydrophobicContact CG-CB 3.81Å; E298-H321 IonicContact OE1-CD2 3.88Å; E298-H321 PolarHBondContact OE1-CD2 3.03Å; E298-H321 IonicContact OE1-CE1 3.78Å; E298-H321 PolarHBondContact OE1-CE1 3.06Å; E298-H321 IonicContact OE1-CG 3.54Å; E298-H321 IonicContact OE1-ND1 2.72Å; E298-H321 IonicContact OE1-NE2 3.08Å; E298-H321 PolarHBondContact OE1-NE2 3.02Å; E298-H321 IonicContact OE2-CD2 3.62Å; E298-H321 PolarHBondContact OE2-CD2 2.91Å; E298-H321 IonicContact OE2-CG 3.65Å; E298-H321 IonicContact OE2-NE2 3.39Å; H321-I323 CarbonylContact O-C 3.29Å; H321-I323 PolarHBondContact O-N 3.03Å; H321-K324 HydrophobicContact CB-CB 4.08Å; H321-K324 WeakPolarHBondContact CD2-CD 3.17Å; H321-K324 WeakPolarHBondContact NE2-CD 3.42Å; H321-K324 CarbonylContact O-C 3.32Å; H321-K324 WeakPolarHBondContact O-CA 3.44Å; H321-K324 PolarHBondContact O-N 3.14Å; H321-A325 PolarHBondContact O-N 3.15Å
322	F	55.8	Low	65.5	Low	40 Å²	40	69.2 Å²	69.2	18%	0.175	33%	0.331	C	S	.	.	H	α-helix	trans	-52.3	-34.4	178.2	164.4	-105.4	0	0	0	112.5	Y319 L326 H389	Y319-F322 HydrophobicContact CD2-CB 3.87Å; Y319-F322 HydrophobicContact CE2-CB 3.5Å; F322-L326 HydrophobicContact CD1-CD1 4.44Å; F322-L326 HydrophobicContact CE1-CD1 3.88Å; F322-L326 HydrophobicContact CE2-CD1 4.03Å; F322-L326 HydrophobicContact CE2-CG 4.29Å; F322-L326 HydrophobicContact CZ-CD1 3.68Å; F322-L326 HydrophobicContact CZ-CG 4.42Å; F322-L326 PolarHBondContact O-N 2.99Å; F322-H389 HydrophobicContact CB-CB 3.75Å; F322-H389 HydrophobicContact CD1-CB 3.96Å; F322-H389 AromaticContact CD1-ND1 3.62Å; F322-H389 HydrophobicContact CD2-CB 3.07Å; F322-H389 AromaticContact CD2-CG 3.94Å; F322-H389 HydrophobicContact CE1-CB 4.28Å; F322-H389 HydrophobicContact CE2-CB 3.44Å; F322-H389 VanDerWaalsContact CE2-CB 3.44Å; F322-H389 HydrophobicContact CG-CB 3.31Å; F322-H389 AromaticContact CG-CG 3.63Å; F322-H389 AromaticContact CG-ND1 3.72Å; F322-H389 HydrophobicContact CZ-CB 4.02Å
323	I	56.8	Low	62.7	Low	6 Å²	6	74 Å²	74	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-66.8	-47.6	171	-67.2	-179.5	0	0	0	112.6	Y319 H321 A325 L326 I327 A373 L376 D377 L380	Y319-I323 WeakPolarHBondContact OH-CB 3.48Å; Y319-I323 VanDerWaalsContact OH-CG1 3.24Å; Y319-I323 WeakPolarHBondContact OH-CG1 3.17Å; Y319-I323 PolarHBondContact OH-N 3.23Å; H321-I323 CarbonylContact O-C 3.29Å; H321-I323 PolarHBondContact O-N 3.03Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 3.44Å; I323-L326 WeakPolarHBondContact O-CB 3.45Å; I323-L326 PolarHBondContact O-N 3.01Å; I323-I327 HydrophobicContact CG2-CD1 3.6Å; I323-I327 WeakPolarHBondContact O-CD1 3.48Å; I323-I327 VanDerWaalsContact O-CG1 3.26Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 2.76Å; I323-A373 HydrophobicContact CG2-CB 3.31Å; I323-L376 HydrophobicContact CB-CD1 4.37Å; I323-L376 HydrophobicContact CD1-CB 3.78Å; I323-L376 HydrophobicContact CG1-CB 3.82Å; I323-L376 HydrophobicContact CG1-CD1 4.34Å; I323-L376 HydrophobicContact CG2-CB 4.14Å; I323-L376 HydrophobicContact CG2-CD1 3.84Å; I323-D377 HydrophobicContact CD1-CB 3.99Å; I323-L380 HydrophobicContact CD1-CD1 4.38Å
324	K	54.3	Low	60.1	Low	133 Å²	133	80.2 Å²	80.2	58%	0.578	39%	0.392	S	S	*	.	H	α-helix	trans	-66.1	-32.1	-178.6	-153.4	179.4	-167.8	172.8	0	112.5	H321 I327 K328	H321-K324 HydrophobicContact CB-CB 4.08Å; H321-K324 WeakPolarHBondContact CD2-CD 3.17Å; H321-K324 WeakPolarHBondContact NE2-CD 3.42Å; H321-K324 CarbonylContact O-C 3.32Å; H321-K324 WeakPolarHBondContact O-CA 3.44Å; H321-K324 PolarHBondContact O-N 3.14Å; K324-I327 PolarHBondContact O-N 2.75Å; K324-K328 PolarHBondContact O-N 2.88Å; K324-K328 VanDerWaalsContact O-N 3.14Å
325	A	54.7	Low	57.1	Low	37 Å²	37	85.7 Å²	85.7	31%	0.306	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-41.1	173.6	0	0	0	0	0	111.9	T300 H321 I323 I327 K328	T300-A325 HydrophobicContact CG2-CB 3.8Å; H321-A325 PolarHBondContact O-N 3.15Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 3.44Å; A325-I327 VanDerWaalsContact C-N 3.25Å; A325-I327 PolarHBondContact O-N 3.11Å; A325-K328 PolarHBondContact O-N 3.28Å
326	L	55.1	Low	54.3	Low	102 Å²	102	95 Å²	95	53%	0.534	46%	0.464	S	S	.	.	H	α-helix	trans	-65.5	-28.7	174	-75.4	169.8	0	0	0	112.8	F322 I323 L376	F322-L326 HydrophobicContact CD1-CD1 4.44Å; F322-L326 HydrophobicContact CE1-CD1 3.88Å; F322-L326 HydrophobicContact CE2-CD1 4.03Å; F322-L326 HydrophobicContact CE2-CG 4.29Å; F322-L326 HydrophobicContact CZ-CD1 3.68Å; F322-L326 HydrophobicContact CZ-CG 4.42Å; F322-L326 PolarHBondContact O-N 2.99Å; I323-L326 WeakPolarHBondContact O-CB 3.45Å; I323-L326 PolarHBondContact O-N 3.01Å; L326-L376 HydrophobicContact CB-CD1 4.42Å; L326-L376 HydrophobicContact CD1-CD1 4.17Å
327	I	56.1	Low	51.5	Low	30 Å²	30	102.5 Å²	102.5	15%	0.154	50%	0.502	C	S	.	.	H	α-helix	trans	-91.2	-5.9	-176.9	-57.1	161	0	0	0	112.7	I323 K324 A325 P329 A369 I372 A373 L376	I323-I327 HydrophobicContact CG2-CD1 3.6Å; I323-I327 WeakPolarHBondContact O-CD1 3.48Å; I323-I327 VanDerWaalsContact O-CG1 3.26Å; I323-I327 WeakPolarHBondContact O-CG1 3.47Å; I323-I327 PolarHBondContact O-N 2.76Å; K324-I327 PolarHBondContact O-N 2.75Å; A325-I327 VanDerWaalsContact C-N 3.25Å; A325-I327 PolarHBondContact O-N 3.11Å; I327-P329 VanDerWaalsContact O-CD 3.22Å; I327-P329 WeakPolarHBondContact O-CD 3.45Å; I327-A369 WeakPolarHBondContact CD1-O 3.46Å; I327-A369 HydrophobicContact CG2-CB 3.51Å; I327-I372 HydrophobicContact CD1-CB 3.81Å; I327-I372 HydrophobicContact CD1-CG2 3.68Å; I327-I372 HydrophobicContact CG1-CB 4.03Å; I327-I372 HydrophobicContact CG1-CG2 3.57Å; I327-I372 HydrophobicContact CG2-CD1 4.29Å; I327-A373 HydrophobicContact CD1-CB 3.85Å; I327-L376 HydrophobicContact CD1-CD1 4.45Å; I327-L376 HydrophobicContact CG1-CD1 4.47Å
328	K	54.7	Low	48.8	Very low	143 Å²	143	107.6 Å²	107.6	62%	0.622	53%	0.533	S	S	*	.	S	Bend	trans	-50	113.6	177.4	-83.4	-174.6	179.3	175.4	0	108.9	K324 A325 R330	K324-K328 PolarHBondContact O-N 2.88Å; K324-K328 VanDerWaalsContact O-N 3.14Å; A325-K328 PolarHBondContact O-N 3.28Å; K328-R330 PolarHBondContact O-N 3.32Å
329	P	45.4	Very low	46.9	Very low	117 Å²	117	113.1 Å²	113.1	76%	0.76	56%	0.563	S	S	*	*			trans	-61.3	121.1	-173.4	20.3	-29.9	0	0	0	107.5	I327 K331	I327-P329 VanDerWaalsContact O-CD 3.22Å; I327-P329 WeakPolarHBondContact O-CD 3.45Å; P329-K331 PolarHBondContact O-N 2.8Å
330	R	43.7	Very low	45.4	Very low	231 Å²	231	120.6 Å²	120.6	87%	0.872	60%	0.596	S	S	*	*			trans	-50.6	120.9	172.3	-158	173.9	-173.9	168.3	1.6	105.8	K328 V332	K328-R330 PolarHBondContact O-N 3.32Å; R330-V332 VanDerWaalsContact C-N 3.33Å; R330-V332 WeakPolarHBondContact O-CG2 3.44Å; R330-V332 PolarHBondContact O-N 3.46Å
331	K	48.8	Very low	44.2	Very low	203 Å²	203	124.4 Å²	124.4	88%	0.883	62%	0.62	S	S	*	*			trans	-50.7	102.4	176.2	-84.7	-179.4	176.8	175.5	0	107.2	P329 S333	P329-K331 PolarHBondContact O-N 2.8Å; K331-S333 PolarHBondContact O-N 3.07Å; K331-S333 VanDerWaalsContact O-N 3.15Å
332	V	41.2	Very low	43.5	Very low	133 Å²	133	130 Å²	130	81%	0.806	65%	0.651	S	S	*	*			trans	-70.6	115.4	-179.8	-146.9	0	0	0	0	104.9	R330 K334	R330-V332 VanDerWaalsContact C-N 3.33Å; R330-V332 WeakPolarHBondContact O-CG2 3.44Å; R330-V332 PolarHBondContact O-N 3.46Å; V332-K334 PolarHBondContact O-N 2.9Å
333	S	36.1	Very low	42.5	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	68%	0.676	S	S	*	*			trans	-49.2	127	177.9	-40.9	0	0	0	0	108.2	K331 V335	K331-S333 PolarHBondContact O-N 3.07Å; K331-S333 VanDerWaalsContact O-N 3.15Å; S333-V335 PolarHBondContact O-N 2.62Å
334	K	40	Very low	41.6	Very low	211 Å²	211	138.3 Å²	138.3	92%	0.917	71%	0.71	S	S	*	*			trans	-44.4	103.7	175.4	-79.7	178.1	174.1	176.9	0	108.9	V332 K336	V332-K334 PolarHBondContact O-N 2.9Å; K334-K336 PolarHBondContact O-N 2.93Å
335	V	32	Very low	40.8	Very low	123 Å²	123	139.2 Å²	139.2	75%	0.745	72%	0.722	S	S	*	*			trans	-69.7	118.6	174.4	-177.6	0	0	0	0	105.9	S333 M337	S333-V335 PolarHBondContact O-N 2.62Å; V335-M337 PolarHBondContact O-N 3Å
336	K	34.3	Very low	40.1	Very low	195 Å²	195	146.3 Å²	146.3	85%	0.848	75%	0.748	S	S	*	*			trans	-61.2	103	168.6	-99	-179.6	172.1	179.3	0	107	K334 V338	K334-K336 PolarHBondContact O-N 2.93Å; K336-V338 PolarHBondContact O-N 2.81Å
337	M	33.1	Very low	39.4	Very low	165 Å²	165	146.6 Å²	146.6	81%	0.813	77%	0.766	S	S	*	*			trans	-61.9	114.8	167	-82.6	-96.2	-79.7	0	0	107.7	V335	V335-M337 PolarHBondContact O-N 3Å
338	V	30.5	Very low	38.6	Very low	121 Å²	121	147.9 Å²	147.9	73%	0.733	79%	0.786	S	S	*	*			trans	-81.5	114.7	170.4	-177.1	0	0	0	0	106.2	K336 F340	K336-V338 PolarHBondContact O-N 2.81Å; V338-F340 PolarHBondContact O-N 2.83Å
339	N	36.5	Very low	37.8	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	80%	0.797	S	S	*	*			trans	-64.9	119.7	177.1	-71.6	-18.5	0	0	0	109.1	I341	N339-I341 PolarHBondContact O-N 3.25Å
340	F	31.4	Very low	37.5	Very low	193 Å²	193	150 Å²	150	85%	0.846	80%	0.798	S	S	*	*			trans	-72.5	116.4	165.7	-78.5	-91.1	0	0	0	107.9	V338 D342	V338-F340 PolarHBondContact O-N 2.83Å; F340-D342 PolarHBondContact O-N 2.86Å
341	I	33.7	Very low	37.1	Very low	156 Å²	156	146 Å²	146	80%	0.8	79%	0.794	S	S	*	*			trans	-81.4	94.5	174.1	-59	163.9	0	0	0	105.5	N339 S343	N339-I341 PolarHBondContact O-N 3.25Å; I341-S343 PolarHBondContact O-N 2.94Å
342	D	40.2	Very low	36.5	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	79%	0.789	S	S	*	*			trans	-82.1	99.6	166.6	-88.1	-17.3	0	0	0	108.4	F340 T344	F340-D342 PolarHBondContact O-N 2.86Å; D342-T344 PolarHBondContact O-N 2.75Å
343	S	33.7	Very low	36	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	79%	0.787	S	S	*	*			trans	-58.1	118.1	160.1	51.6	0	0	0	0	109.8	I341	I341-S343 PolarHBondContact O-N 2.94Å
344	T	37.7	Very low	36	Very low	124 Å²	124	145.1 Å²	145.1	76%	0.761	79%	0.787	S	S	*	*			trans	-165.6	106.2	140.3	42.8	0	0	0	0	107.9	D342	D342-T344 PolarHBondContact O-N 2.75Å
345	D	37.7	Very low	35.7	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	79%	0.785	S	S	*	*				44.4	139.1	126.9	-58.3	-30.6	0	0	0	121.4
346	E	40.6	Very low	36.1	Very low	185 Å²	185	143.9 Å²	143.9	86%	0.864	79%	0.785	S	S	*	*			trans	87.9	87.2	159.8	-49.2	-156.1	165.9	0	0	118
347	A	39.9	Very low	36.2	Very low	109 Å²	109	140 Å²	140	90%	0.901	77%	0.774	S	S	*	*				39.3	95.5	127.5	0	0	0	0	0	117.2
348	G	39.5	Very low	36.3	Very low	56 Å²	56	140.8 Å²	140.8	58%	0.577	77%	0.773	S	S	*	*			trans	161.9	85.7	163.7	0	0	0	0	0	111.9	N350	G348-N350 VanDerWaalsContact C-N 3.31Å; G348-N350 WeakPolarHBondContact O-CB 3.44Å; G348-N350 PolarHBondContact O-N 2.69Å
349	D	39	Very low	36.8	Very low	160 Å²	160	141 Å²	141	86%	0.856	78%	0.776	S	S	*	*			trans	0.3	67.8	159	-148.1	13.1	0	0	0	117.2
350	N	38.3	Very low	37	Very low	146 Å²	146	144 Å²	144	78%	0.781	78%	0.778	S	S	*	*			trans	-110.5	91.2	177.3	-82.9	-24.6	0	0	0	108.6	G348 I352	G348-N350 VanDerWaalsContact C-N 3.31Å; G348-N350 WeakPolarHBondContact O-CB 3.44Å; G348-N350 PolarHBondContact O-N 2.69Å; N350-I352 PolarHBondContact O-N 3.42Å
351	N	35.4	Very low	37.6	Very low	147 Å²	147	144.5 Å²	144.5	79%	0.786	78%	0.779	S	S	*	*			trans	-51.7	99	166.4	-91.3	-41.2	0	0	0	110	T353	N351-T353 PolarHBondContact O-N 2.95Å
352	I	35.9	Very low	38.2	Very low	152 Å²	152	140.2 Å²	140.2	78%	0.779	76%	0.763	S	S	*	*			trans	-66.3	100.2	174.1	-60.3	173	0	0	0	107.9	N350 I354	N350-I352 PolarHBondContact O-N 3.42Å; I352-I354 HydrophobicContact CG2-CG1 4.1Å; I352-I354 PolarHBondContact O-N 2.93Å
353	T	30.8	Very low	38.6	Very low	124 Å²	124	139 Å²	139	76%	0.761	76%	0.755	S	S	*	*			trans	-77.6	99.8	168.3	42.7	0	0	0	0	109	N351 E355	N351-T353 PolarHBondContact O-N 2.95Å; T353-E355 PolarHBondContact O-N 2.95Å
354	I	35.6	Very low	39.5	Very low	143 Å²	143	138.9 Å²	138.9	73%	0.733	75%	0.75	S	S	*	*			trans	-71	96.7	173.3	-56.6	172	0	0	0	108	I352 V356	I352-I354 HydrophobicContact CG2-CG1 4.1Å; I352-I354 PolarHBondContact O-N 2.93Å; I354-V356 PolarHBondContact O-N 3.2Å; I354-V356 VanDerWaalsContact O-N 3.09Å
355	E	33.1	Very low	40.3	Very low	184 Å²	184	135.8 Å²	135.8	86%	0.86	74%	0.737	S	S	*	*			trans	-72.2	100	170.8	-141.6	-179.5	-166.8	0	0	108.3	T353 N357	T353-E355 PolarHBondContact O-N 2.95Å; E355-N357 VanDerWaalsContact C-N 3.29Å; E355-N357 PolarHBondContact O-N 3.12Å
356	V	40.7	Very low	41.2	Very low	125 Å²	125	135.4 Å²	135.4	76%	0.758	73%	0.73	S	S	*	*			trans	-66.2	94.2	173.9	-179.4	0	0	0	0	107.3	I354 K358	I354-V356 PolarHBondContact O-N 3.2Å; I354-V356 VanDerWaalsContact O-N 3.09Å; V356-K358 PolarHBondContact O-N 3.45Å
357	N	36.4	Very low	42	Very low	113 Å²	113	132.7 Å²	132.7	60%	0.604	72%	0.718	S	S	*	*			trans	-52.1	108.8	178.8	-136	-26.4	0	0	0	108.4	E355	E355-N357 VanDerWaalsContact C-N 3.29Å; E355-N357 PolarHBondContact O-N 3.12Å
358	K	36.9	Very low	43.3	Very low	182 Å²	182	130.8 Å²	130.8	79%	0.791	70%	0.695	S	S	*	*			trans	-52.4	138.3	174.2	-78	178.3	179.4	172.8	0	107.4	V356 R360	V356-K358 PolarHBondContact O-N 3.45Å; K358-R360 PolarHBondContact O-N 3.4Å
359	P	39.4	Very low	44.6	Very low	125 Å²	125	129.5 Å²	129.5	81%	0.812	68%	0.679	S	S	*	*			trans	-56	109.1	-174.7	22.7	-32.2	0	0	0	108.1	K361	P359-K361 PolarHBondContact O-N 3.07Å
360	R	41.1	Very low	46	Very low	201 Å²	201	126.3 Å²	126.3	76%	0.758	66%	0.661	S	S	*	*			trans	-54.5	118.1	171.9	-75.8	-177.3	169.3	123.1	-2.5	105.1	K358 S362	K358-R360 PolarHBondContact O-N 3.4Å; R360-S362 PolarHBondContact O-N 3.3Å
361	K	45	Very low	47.8	Very low	202 Å²	202	122.7 Å²	122.7	88%	0.878	65%	0.647	S	S	*	*			trans	-53.3	101.8	161.8	-79.1	-176.3	176.4	-177.4	0	104.5	P359 I363	P359-K361 PolarHBondContact O-N 3.07Å; K361-I363 PolarHBondContact O-N 3.29Å
362	S	45.5	Very low	49.8	Very low	66 Å²	66	119 Å²	119	46%	0.462	63%	0.627	S	S	.	*			trans	-70.7	98.5	-169.3	179.2	0	0	0	0	107.1	R360 V364 A365	R360-S362 PolarHBondContact O-N 3.3Å; S362-V364 PolarHBondContact O-N 3.26Å; S362-V364 VanDerWaalsContact O-N 3.15Å; S362-A365 WeakPolarHBondContact O-CB 3.46Å; S362-A365 PolarHBondContact O-N 2.84Å; S362-A365 PolarHBondContact OG-N 3.17Å
363	I	49.1	Very low	51.8	Low	125 Å²	125	113.2 Å²	113.2	64%	0.641	60%	0.601	S	S	*	*	H	α-helix	trans	-49.5	-37.6	173.3	-67.1	163.6	0	0	0	109.7	K361 A365 E366 E367	K361-I363 PolarHBondContact O-N 3.29Å; I363-A365 VanDerWaalsContact C-N 3.27Å; I363-A365 PolarHBondContact O-N 3.41Å; I363-E366 PolarHBondContact O-N 3.3Å; I363-E367 HydrophobicContact CG2-CG 4.49Å; I363-E367 PolarHBondContact O-N 3.32Å; I363-E367 VanDerWaalsContact O-N 3.12Å
364	V	51.6	Low	54.3	Low	96 Å²	96	113 Å²	113	58%	0.582	59%	0.592	S	S	*	*	H	α-helix	trans	-56.8	-36.1	175.2	-171.3	0	0	0	0	112.7	S362 T368	S362-V364 PolarHBondContact O-N 3.26Å; S362-V364 VanDerWaalsContact O-N 3.15Å; V364-T368 VanDerWaalsContact O-CB 3.24Å; V364-T368 WeakPolarHBondContact O-CB 3.08Å; V364-T368 PolarHBondContact O-N 2.93Å; V364-T368 PolarHBondContact O-OG1 2.93Å
365	A	55.7	Low	56.6	Low	59 Å²	59	114.8 Å²	114.8	49%	0.488	59%	0.589	S	S	.	*	H	α-helix	trans	-72.4	-35.2	-177.4	0	0	0	0	0	112.3	S362 I363 A369	S362-A365 WeakPolarHBondContact O-CB 3.46Å; S362-A365 PolarHBondContact O-N 2.84Å; S362-A365 PolarHBondContact OG-N 3.17Å; I363-A365 VanDerWaalsContact C-N 3.27Å; I363-A365 PolarHBondContact O-N 3.41Å; A365-A369 WeakPolarHBondContact O-CB 3.11Å; A365-A369 PolarHBondContact O-N 3.18Å
366	E	56.1	Low	58.9	Low	143 Å²	143	107.2 Å²	107.2	67%	0.668	56%	0.555	S	S	*	*	H	α-helix	trans	-77.6	-43.5	-179.5	-166.3	162.5	-155.4	0	0	111.4	I363 T368 A369 I370	I363-E366 PolarHBondContact O-N 3.3Å; E366-T368 VanDerWaalsContact C-N 3.29Å; E366-T368 PolarHBondContact O-N 3.14Å; E366-A369 WeakPolarHBondContact O-CB 3.46Å; E366-A369 PolarHBondContact O-N 3.2Å; E366-I370 HydrophobicContact CG-CD1 4.46Å; E366-I370 WeakPolarHBondContact O-CG1 3.27Å; E366-I370 PolarHBondContact O-N 3.37Å
367	E	57.3	Low	61	Low	128 Å²	128	102.8 Å²	102.8	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-57.7	-42.5	170.9	-74.3	177.2	173.7	0	0	111.6	I363 A369 I370 S371	I363-E367 HydrophobicContact CG2-CG 4.49Å; I363-E367 PolarHBondContact O-N 3.32Å; I363-E367 VanDerWaalsContact O-N 3.12Å; E367-A369 VanDerWaalsContact C-N 3.31Å; E367-A369 PolarHBondContact O-N 2.97Å; E367-I370 PolarHBondContact O-N 2.76Å; E367-S371 WeakPolarHBondContact O-CB 3.46Å; E367-S371 PolarHBondContact O-N 2.94Å
368	T	67.1	Low	63.3	Low	69 Å²	69	101.2 Å²	101.2	42%	0.423	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-39.4	175.2	-56.8	0	0	0	0	111	V364 E366 S371 I372	V364-T368 VanDerWaalsContact O-CB 3.24Å; V364-T368 WeakPolarHBondContact O-CB 3.08Å; V364-T368 PolarHBondContact O-N 2.93Å; V364-T368 PolarHBondContact O-OG1 2.93Å; E366-T368 VanDerWaalsContact C-N 3.29Å; E366-T368 PolarHBondContact O-N 3.14Å; T368-S371 PolarHBondContact O-N 2.89Å; T368-I372 HydrophobicContact CG2-CD1 3.81Å; T368-I372 HydrophobicContact CG2-CG1 4.34Å; T368-I372 WeakPolarHBondContact O-CD1 3.36Å; T368-I372 WeakPolarHBondContact O-CG1 3.45Å; T368-I372 PolarHBondContact O-N 3.31Å
369	A	66.2	Low	65.6	Low	30 Å²	30	94.6 Å²	94.6	25%	0.248	49%	0.494	C	S	.	.	H	α-helix	trans	-67.9	-41.7	179	0	0	0	0	0	112.5	I327 A365 E366 E367 S371 I372 A373	I327-A369 WeakPolarHBondContact CD1-O 3.46Å; I327-A369 HydrophobicContact CG2-CB 3.51Å; A365-A369 WeakPolarHBondContact O-CB 3.11Å; A365-A369 PolarHBondContact O-N 3.18Å; E366-A369 WeakPolarHBondContact O-CB 3.46Å; E366-A369 PolarHBondContact O-N 3.2Å; E367-A369 VanDerWaalsContact C-N 3.31Å; E367-A369 PolarHBondContact O-N 2.97Å; A369-S371 VanDerWaalsContact C-N 3.35Å; A369-I372 PolarHBondContact O-N 2.73Å; A369-A373 VanDerWaalsContact O-CB 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.48Å; A369-A373 PolarHBondContact O-N 2.96Å
370	I	70	Confident	67.8	Low	93 Å²	93	88.6 Å²	88.6	48%	0.477	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-46.6	174.1	-65.3	165.4	0	0	0	109.8	E366 E367 I372 A373 E374	E366-I370 HydrophobicContact CG-CD1 4.46Å; E366-I370 WeakPolarHBondContact O-CG1 3.27Å; E366-I370 PolarHBondContact O-N 3.37Å; E367-I370 PolarHBondContact O-N 2.76Å; I370-I372 PolarHBondContact O-N 3.28Å; I370-A373 WeakPolarHBondContact O-CA 3.26Å; I370-A373 WeakPolarHBondContact O-CB 3.39Å; I370-A373 PolarHBondContact O-N 3.3Å; I370-E374 HydrophobicContact CG2-CG 4.43Å; I370-E374 WeakPolarHBondContact O-CG 3.38Å; I370-E374 PolarHBondContact O-N 2.92Å
371	S	75.9	Confident	70	Confident	70 Å²	70	84.8 Å²	84.8	49%	0.49	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-41.3	178.9	-177.3	0	0	0	0	113	E367 T368 A369 A373 R375	E367-S371 WeakPolarHBondContact O-CB 3.46Å; E367-S371 PolarHBondContact O-N 2.94Å; T368-S371 PolarHBondContact O-N 2.89Å; A369-S371 VanDerWaalsContact C-N 3.35Å; S371-A373 VanDerWaalsContact C-N 3.26Å; S371-A373 PolarHBondContact O-N 3.42Å; S371-R375 WeakPolarHBondContact O-CB 3.32Å; S371-R375 PolarHBondContact O-N 2.93Å
372	I	76.2	Confident	72	Confident	70 Å²	70	77 Å²	77	36%	0.359	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-38.1	173.5	-64.6	162.7	0	0	0	109.9	I327 T368 A369 I370 R375 L376	I327-I372 HydrophobicContact CD1-CB 3.81Å; I327-I372 HydrophobicContact CD1-CG2 3.68Å; I327-I372 HydrophobicContact CG1-CB 4.03Å; I327-I372 HydrophobicContact CG1-CG2 3.57Å; I327-I372 HydrophobicContact CG2-CD1 4.29Å; T368-I372 HydrophobicContact CG2-CD1 3.81Å; T368-I372 HydrophobicContact CG2-CG1 4.34Å; T368-I372 WeakPolarHBondContact O-CD1 3.36Å; T368-I372 WeakPolarHBondContact O-CG1 3.45Å; T368-I372 PolarHBondContact O-N 3.31Å; A369-I372 PolarHBondContact O-N 2.73Å; I370-I372 PolarHBondContact O-N 3.28Å; I372-R375 PolarHBondContact O-N 3.07Å; I372-L376 HydrophobicContact CG2-CD1 3.88Å; I372-L376 HydrophobicContact CG2-CG 4.22Å; I372-L376 WeakPolarHBondContact O-CG 3.24Å; I372-L376 PolarHBondContact O-N 3.28Å
373	A	78.4	Confident	73.8	Confident	29 Å²	29	75.8 Å²	75.8	24%	0.24	41%	0.41	C	S	.	.	H	α-helix	trans	-65.1	-47.8	-179.5	0	0	0	0	0	112.8	I323 I327 A369 I370 S371 R375 L376 D377	I323-A373 HydrophobicContact CG2-CB 3.31Å; I327-A373 HydrophobicContact CD1-CB 3.85Å; A369-A373 VanDerWaalsContact O-CB 3.29Å; A369-A373 WeakPolarHBondContact O-CB 3.48Å; A369-A373 PolarHBondContact O-N 2.96Å; I370-A373 WeakPolarHBondContact O-CA 3.26Å; I370-A373 WeakPolarHBondContact O-CB 3.39Å; I370-A373 PolarHBondContact O-N 3.3Å; S371-A373 VanDerWaalsContact C-N 3.26Å; S371-A373 PolarHBondContact O-N 3.42Å; A373-R375 VanDerWaalsContact C-N 3.26Å; A373-R375 PolarHBondContact O-N 2.75Å; A373-L376 PolarHBondContact O-N 2.81Å; A373-D377 WeakPolarHBondContact O-CB 3.2Å; A373-D377 PolarHBondContact O-N 2.83Å
374	E	82.4	Confident	75.5	Confident	120 Å²	120	76.9 Å²	76.9	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-59	-39.4	173.9	-70.2	173	169.9	0	0	111.7	I370 D377 T378	I370-E374 HydrophobicContact CG2-CG 4.43Å; I370-E374 WeakPolarHBondContact O-CG 3.38Å; I370-E374 PolarHBondContact O-N 2.92Å; E374-D377 PolarHBondContact O-N 3.46Å; E374-T378 WeakPolarHBondContact O-CB 3.43Å; E374-T378 PolarHBondContact O-N 3Å; E374-T378 PolarHBondContact O-OG1 3.06Å
375	R	84.3	Confident	77	Confident	180 Å²	180	74.6 Å²	74.6	68%	0.679	40%	0.396	S	S	*	.	H	α-helix	trans	-66	-43.9	176.3	-172.6	166.7	179.9	170.2	-0.5	111.9	S371 I372 A373 T378 L379	S371-R375 WeakPolarHBondContact O-CB 3.32Å; S371-R375 PolarHBondContact O-N 2.93Å; I372-R375 PolarHBondContact O-N 3.07Å; A373-R375 VanDerWaalsContact C-N 3.26Å; A373-R375 PolarHBondContact O-N 2.75Å; R375-T378 PolarHBondContact O-N 3.06Å; R375-L379 HydrophobicContact CG-CD1 4.25Å; R375-L379 HydrophobicContact CG-CG 4.5Å; R375-L379 WeakPolarHBondContact O-CB 3.34Å; R375-L379 WeakPolarHBondContact O-CG 3.31Å; R375-L379 PolarHBondContact O-N 3.07Å
376	L	81.6	Confident	78.3	Confident	25 Å²	25	76.9 Å²	76.9	13%	0.131	40%	0.395	C	S	.	.	H	α-helix	trans	-65.1	-40.9	177.3	-72.2	171.7	0	0	0	111.5	I323 L326 I327 I372 A373 T378 L379 L380 M385	I323-L376 HydrophobicContact CB-CD1 4.37Å; I323-L376 HydrophobicContact CD1-CB 3.78Å; I323-L376 HydrophobicContact CG1-CB 3.82Å; I323-L376 HydrophobicContact CG1-CD1 4.34Å; I323-L376 HydrophobicContact CG2-CB 4.14Å; I323-L376 HydrophobicContact CG2-CD1 3.84Å; L326-L376 HydrophobicContact CB-CD1 4.42Å; L326-L376 HydrophobicContact CD1-CD1 4.17Å; I327-L376 HydrophobicContact CD1-CD1 4.45Å; I327-L376 HydrophobicContact CG1-CD1 4.47Å; I372-L376 HydrophobicContact CG2-CD1 3.88Å; I372-L376 HydrophobicContact CG2-CG 4.22Å; I372-L376 WeakPolarHBondContact O-CG 3.24Å; I372-L376 PolarHBondContact O-N 3.28Å; A373-L376 PolarHBondContact O-N 2.81Å; L376-T378 VanDerWaalsContact C-N 3.35Å; L376-L379 HydrophobicContact CD2-CD1 4.44Å; L376-L379 PolarHBondContact O-N 2.93Å; L376-L380 WeakPolarHBondContact O-CG 3.23Å; L376-L380 PolarHBondContact O-N 3.34Å; L376-M385 HydrophobicContact CB-CE 4.24Å; L376-M385 HydrophobicContact CD2-CE 3.56Å; L376-M385 HydrophobicContact CD2-SD 3.74Å; L376-M385 HydrophobicContact CG-CE 4.49Å
377	D	84.1	Confident	79.5	Confident	32 Å²	32	70.2 Å²	70.2	17%	0.171	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-46.6	173.2	-179.3	84.5	0	0	0	110.9	I323 A373 E374 L379 L380 R381 Q409 Y432	I323-D377 HydrophobicContact CD1-CB 3.99Å; A373-D377 WeakPolarHBondContact O-CB 3.2Å; A373-D377 PolarHBondContact O-N 2.83Å; E374-D377 PolarHBondContact O-N 3.46Å; D377-L379 VanDerWaalsContact C-N 3.35Å; D377-L379 PolarHBondContact O-N 3.16Å; D377-L380 PolarHBondContact O-N 3.46Å; D377-R381 WeakPolarHBondContact O-CB 3.34Å; D377-R381 WeakPolarHBondContact O-CG 3.42Å; D377-R381 PolarHBondContact O-N 3.46Å; D377-R381 IonicContact OD1-CZ 3.39Å; D377-R381 IonicContact OD1-NE 3Å; D377-R381 PolarHBondContact OD1-NE 2.96Å; D377-R381 IonicContact OD1-NH2 3.13Å; D377-R381 WeakPolarHBondContact OD2-CD 3.38Å; D377-R381 IonicContact OD2-CZ 3.52Å; D377-R381 IonicContact OD2-NE 2.68Å; D377-R381 PolarHBondContact OD2-NE 2.92Å; D377-R381 IonicContact OD2-NH2 2.77Å; D377-Q409 PolarHBondContact OD1-NE2 2.83Å; D377-Y432 PolarHBondContact OD1-OH 2.83Å; D377-Y432 VanDerWaalsContact OD1-OH 3.1Å
378	T	85.6	Confident	80.4	Confident	81 Å²	81	71.4 Å²	71.4	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-42.9	175.5	-58.7	0	0	0	0	111.9	E374 R375 L376 R381 S382	E374-T378 WeakPolarHBondContact O-CB 3.43Å; E374-T378 PolarHBondContact O-N 3Å; E374-T378 PolarHBondContact O-OG1 3.06Å; R375-T378 PolarHBondContact O-N 3.06Å; L376-T378 VanDerWaalsContact C-N 3.35Å; T378-R381 PolarHBondContact O-N 3.2Å; T378-S382 VanDerWaalsContact O-CB 3.23Å; T378-S382 WeakPolarHBondContact O-CB 3.23Å; T378-S382 PolarHBondContact O-N 3.14Å; T378-S382 PolarHBondContact O-OG 3.4Å
379	L	85.5	Confident	80.7	Confident	42 Å²	42	69.2 Å²	69.2	22%	0.22	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-37.1	178.3	-71.1	171.9	0	0	0	112.3	R375 L376 D377 S382 G383 Q384 M385	R375-L379 HydrophobicContact CG-CD1 4.25Å; R375-L379 HydrophobicContact CG-CG 4.5Å; R375-L379 WeakPolarHBondContact O-CB 3.34Å; R375-L379 WeakPolarHBondContact O-CG 3.31Å; R375-L379 PolarHBondContact O-N 3.07Å; L376-L379 HydrophobicContact CD2-CD1 4.44Å; L376-L379 PolarHBondContact O-N 2.93Å; D377-L379 VanDerWaalsContact C-N 3.35Å; D377-L379 PolarHBondContact O-N 3.16Å; L379-S382 WeakPolarHBondContact CA-OG 3.46Å; L379-S382 PolarHBondContact O-OG 3.17Å; L379-S382 VanDerWaalsContact O-OG 3.13Å; L379-G383 PolarHBondContact O-N 3.17Å; L379-Q384 HydrophobicContact CD2-CB 3.69Å; L379-Q384 VanDerWaalsContact CD2-OE1 3.28Å; L379-Q384 PolarHBondContact O-N 3.37Å; L379-M385 HydrophobicContact CB-CB 3.89Å; L379-M385 HydrophobicContact CB-CE 4.42Å; L379-M385 PolarHBondContact O-N 3.29Å; L379-M385 VanDerWaalsContact O-N 3.1Å
380	L	85.3	Confident	81.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-50.7	174.5	-71.4	167.8	0	0	0	110.8	I323 L376 D377 S382 G383 M385 N411 Y432	I323-L380 HydrophobicContact CD1-CD1 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.23Å; L376-L380 PolarHBondContact O-N 3.34Å; D377-L380 PolarHBondContact O-N 3.46Å; L380-S382 VanDerWaalsContact C-N 3.28Å; L380-S382 PolarHBondContact O-N 3.31Å; L380-G383 PolarHBondContact O-N 2.85Å; L380-M385 HydrophobicContact CD1-CE 4.18Å; L380-M385 HydrophobicContact CD2-CE 3.7Å; L380-M385 HydrophobicContact CG-CE 3.56Å; L380-N411 PolarHBondContact O-ND2 3.12Å; L380-Y432 HydrophobicContact CB-CD2 3.91Å; L380-Y432 HydrophobicContact CB-CE2 4.33Å
381	R	86.4	Confident	82.1	Confident	120 Å²	120	64.8 Å²	64.8	45%	0.453	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-38.6	178.5	-71.5	179.2	-169.9	-95.9	7	112.6	D377 T378 G383 Y432 R434	D377-R381 WeakPolarHBondContact O-CB 3.34Å; D377-R381 WeakPolarHBondContact O-CG 3.42Å; D377-R381 PolarHBondContact O-N 3.46Å; D377-R381 IonicContact OD1-CZ 3.39Å; D377-R381 IonicContact OD1-NE 3Å; D377-R381 PolarHBondContact OD1-NE 2.96Å; D377-R381 IonicContact OD1-NH2 3.13Å; D377-R381 WeakPolarHBondContact OD2-CD 3.38Å; D377-R381 IonicContact OD2-CZ 3.52Å; D377-R381 IonicContact OD2-NE 2.68Å; D377-R381 PolarHBondContact OD2-NE 2.92Å; D377-R381 IonicContact OD2-NH2 2.77Å; T378-R381 PolarHBondContact O-N 3.2Å; R381-G383 VanDerWaalsContact C-N 3.26Å; R381-G383 PolarHBondContact O-N 2.88Å; R381-Y432 HydrophobicContact CG-CD1 3.83Å; R381-Y432 HydrophobicContact CG-CD2 3.68Å; R381-Y432 HydrophobicContact CG-CE1 3.88Å; R381-Y432 HydrophobicContact CG-CE2 3.66Å; R381-Y432 HydrophobicContact CG-CG 3.78Å; R381-Y432 VanDerWaalsContact CZ-OH 3.23Å; R381-Y432 PolarHBondContact NH2-OH 3Å; R381-R434 PolarHBondContact O-NH1 2.76Å
382	S	87.9	Confident	82.6	Confident	40 Å²	40	64.3 Å²	64.3	28%	0.28	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.2	177.5	59.8	0	0	0	0	113.9	T378 L379 L380 Q384 R434	T378-S382 VanDerWaalsContact O-CB 3.23Å; T378-S382 WeakPolarHBondContact O-CB 3.23Å; T378-S382 PolarHBondContact O-N 3.14Å; T378-S382 PolarHBondContact O-OG 3.4Å; L379-S382 WeakPolarHBondContact CA-OG 3.46Å; L379-S382 PolarHBondContact O-OG 3.17Å; L379-S382 VanDerWaalsContact O-OG 3.13Å; L380-S382 VanDerWaalsContact C-N 3.28Å; L380-S382 PolarHBondContact O-N 3.31Å; S382-Q384 PolarHBondContact O-N 2.87Å; S382-Q384 WeakPolarHBondContact OG-CG 3.42Å; S382-R434 VanDerWaalsContact CA-NH1 3.3Å
383	G	83.3	Confident	83.1	Confident	39 Å²	39	61.1 Å²	61.1	40%	0.402	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	4.6	-173.5	0	0	0	0	0	114.2	L379 L380 R381 M385	L379-G383 PolarHBondContact O-N 3.17Å; L380-G383 PolarHBondContact O-N 2.85Å; R381-G383 VanDerWaalsContact C-N 3.26Å; R381-G383 PolarHBondContact O-N 2.88Å; G383-M385 PolarHBondContact O-N 3.49Å
384	Q	84.8	Confident	83.5	Confident	149 Å²	149	59.8 Å²	59.8	70%	0.696	30%	0.296	S	S	*	.	S	Bend	trans	-70	-16.2	177.8	-69	-173.6	-38.9	0	0	113	L379 S382	L379-Q384 HydrophobicContact CD2-CB 3.69Å; L379-Q384 VanDerWaalsContact CD2-OE1 3.28Å; L379-Q384 PolarHBondContact O-N 3.37Å; S382-Q384 PolarHBondContact O-N 2.87Å; S382-Q384 WeakPolarHBondContact OG-CG 3.42Å
385	M	83.9	Confident	83.8	Confident	47 Å²	47	54.3 Å²	54.3	23%	0.232	27%	0.27	C	S	.	.	S	Bend	trans	-136.6	140.9	172.6	-177.8	178.4	66.9	0	0	109.6	L376 L379 L380 G383 N411	L376-M385 HydrophobicContact CB-CE 4.24Å; L376-M385 HydrophobicContact CD2-CE 3.56Å; L376-M385 HydrophobicContact CD2-SD 3.74Å; L376-M385 HydrophobicContact CG-CE 4.49Å; L379-M385 HydrophobicContact CB-CB 3.89Å; L379-M385 HydrophobicContact CB-CE 4.42Å; L379-M385 PolarHBondContact O-N 3.29Å; L379-M385 VanDerWaalsContact O-N 3.1Å; L380-M385 HydrophobicContact CD1-CE 4.18Å; L380-M385 HydrophobicContact CD2-CE 3.7Å; L380-M385 HydrophobicContact CG-CE 3.56Å; G383-M385 PolarHBondContact O-N 3.49Å; M385-N411 PolarHBondContact O-ND2 3.26Å
386	K	82.6	Confident	84.1	Confident	108 Å²	108	50.3 Å²	50.3	47%	0.47	26%	0.257	S	S	.	.			trans	-90.7	143.6	176.6	-70.9	177.8	176.4	-176.8	0	112.2	Y388 N411 F412	K386-Y388 HydrophobicContact CB-CD2 4.06Å; K386-Y388 HydrophobicContact CB-CE2 3.45Å; K386-Y388 VanDerWaalsContact CB-CE2 3.45Å; K386-Y388 HydrophobicContact CD-CE2 4.28Å; K386-Y388 WeakPolarHBondContact CD-OH 3.45Å; K386-Y388 HydrophobicContact CG-CE2 4.47Å; K386-Y388 WeakPolarHBondContact O-CD2 3.11Å; K386-Y388 PolarHBondContact O-N 3.32Å; K386-N411 WeakPolarHBondContact CA-OD1 3.35Å; K386-F412 HydrophobicContact CB-CB 3.99Å; K386-F412 HydrophobicContact CB-CG 4.21Å; K386-F412 HydrophobicContact CD-CD2 3.88Å; K386-F412 HydrophobicContact CD-CE2 4.27Å; K386-F412 HydrophobicContact CD-CG 4.09Å; K386-F412 HydrophobicContact CG-CB 4.17Å; K386-F412 HydrophobicContact CG-CD2 4.38Å; K386-F412 HydrophobicContact CG-CG 4.26Å
387	S	81.2	Confident	84.5	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	25%	0.252	C	S	.	.			trans	-76.9	114.1	172.1	56.5	0	0	0	0	111.8	L410 N411 F412	S387-L410 WeakPolarHBondContact OG-CA 3.49Å; S387-N411 PolarHBondContact N-OD1 2.77Å; S387-N411 PolarHBondContact OG-N 2.93Å; S387-N411 VanDerWaalsContact OG-N 3.1Å; S387-N411 PolarHBondContact OG-OD1 3.3Å; S387-F412 PolarHBondContact OG-N 3.26Å; S387-F412 VanDerWaalsContact OG-N 3.08Å; S387-F412 PolarHBondContact OG-O 3.23Å
388	Y	74.8	Confident	84.6	Confident	154 Å²	154	57.6 Å²	57.6	60%	0.604	28%	0.281	S	S	*	.			trans	-117.4	25.4	179.5	-70.3	-71.1	0	0	0	114	K386 F412	K386-Y388 HydrophobicContact CB-CD2 4.06Å; K386-Y388 HydrophobicContact CB-CE2 3.45Å; K386-Y388 VanDerWaalsContact CB-CE2 3.45Å; K386-Y388 HydrophobicContact CD-CE2 4.28Å; K386-Y388 WeakPolarHBondContact CD-OH 3.45Å; K386-Y388 HydrophobicContact CG-CE2 4.47Å; K386-Y388 WeakPolarHBondContact O-CD2 3.11Å; K386-Y388 PolarHBondContact O-N 3.32Å; Y388-F412 HydrophobicContact CD1-CD1 4.14Å; Y388-F412 HydrophobicContact CD1-CE1 4.09Å; Y388-F412 AromaticContact CE1-CD1 3.78Å; Y388-F412 HydrophobicContact CE1-CD1 3.78Å; Y388-F412 AromaticContact CE1-CE1 3.48Å; Y388-F412 HydrophobicContact CE1-CE1 3.48Å; Y388-F412 VanDerWaalsContact CE1-CE1 3.48Å; Y388-F412 HydrophobicContact CE1-CZ 4.3Å
389	H	74.6	Confident	84.8	Confident	23 Å²	23	58.9 Å²	58.9	11%	0.106	28%	0.277	C	S	.	.			trans	-97.4	-11	-165.8	65.8	-102.3	0	0	0	115.2	F322 P391 C408 L410	F322-H389 HydrophobicContact CB-CB 3.75Å; F322-H389 HydrophobicContact CD1-CB 3.96Å; F322-H389 AromaticContact CD1-ND1 3.62Å; F322-H389 HydrophobicContact CD2-CB 3.07Å; F322-H389 AromaticContact CD2-CG 3.94Å; F322-H389 HydrophobicContact CE1-CB 4.28Å; F322-H389 HydrophobicContact CE2-CB 3.44Å; F322-H389 VanDerWaalsContact CE2-CB 3.44Å; F322-H389 HydrophobicContact CG-CB 3.31Å; F322-H389 AromaticContact CG-CG 3.63Å; F322-H389 AromaticContact CG-ND1 3.72Å; F322-H389 HydrophobicContact CZ-CB 4.02Å; H389-P391 VanDerWaalsContact O-CD 3.32Å; H389-P391 WeakPolarHBondContact O-CD 3.35Å; H389-C408 PolarHBondContact CE1-O 3.27Å; H389-C408 PolarHBondContact NE2-O 3.16Å; H389-L410 VanDerWaalsContact CE1-CD2 3.4Å; H389-L410 WeakPolarHBondContact CE1-CD2 3.38Å
390	I	81.8	Confident	85.2	Confident	17 Å²	17	56.9 Å²	56.9	9%	0.087	27%	0.267	C	S	.	.	S	Bend	trans	-62.7	121.4	175.4	-61.5	171.9	0	0	0	108.4	A392 I394 F395 L405 L410 I413	I390-A392 PolarHBondContact O-N 3.16Å; I390-I394 HydrophobicContact CG2-CD1 3.21Å; I390-I394 HydrophobicContact CG2-CG1 3.83Å; I390-F395 HydrophobicContact CB-CE2 4.45Å; I390-F395 HydrophobicContact CB-CZ 4.23Å; I390-F395 HydrophobicContact CG2-CE1 4.49Å; I390-F395 HydrophobicContact CG2-CE2 3.89Å; I390-F395 HydrophobicContact CG2-CZ 3.58Å; I390-L405 HydrophobicContact CD1-CD1 3.86Å; I390-L405 HydrophobicContact CD1-CD2 4.44Å; I390-L410 HydrophobicContact CD1-CD1 3.83Å; I390-L410 HydrophobicContact CD1-CD2 3.66Å; I390-L410 HydrophobicContact CD1-CG 4.42Å; I390-L410 HydrophobicContact CG1-CD1 4.49Å; I390-L410 HydrophobicContact CG1-CD2 3.79Å; I390-I413 HydrophobicContact CD1-CD1 3.86Å
391	P	83.2	Confident	85.7	Confident	13 Å²	13	58.9 Å²	58.9	8%	0.084	28%	0.279	C	S	.	.			trans	-59.3	123	-178.8	-24.6	34	0	0	0	111.6	I299 L302 H389 A393 I394	I299-P391 HydrophobicContact CG2-CG 4.16Å; L302-P391 HydrophobicContact CB-CB 4.2Å; L302-P391 HydrophobicContact CD1-CB 4.15Å; L302-P391 HydrophobicContact CD1-CG 4.28Å; L302-P391 HydrophobicContact CG-CB 4.1Å; L302-P391 HydrophobicContact CG-CG 4.15Å; H389-P391 VanDerWaalsContact O-CD 3.32Å; H389-P391 WeakPolarHBondContact O-CD 3.35Å; P391-A393 PolarHBondContact O-N 3.41Å; P391-I394 WeakPolarHBondContact O-CG1 3.36Å; P391-I394 PolarHBondContact O-N 2.86Å
392	A	85.6	Confident	86.1	Confident	60 Å²	60	53.4 Å²	53.4	50%	0.496	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-59.8	-22.4	-174.4	0	0	0	0	0	113.9	I390 I394 F395	I390-A392 PolarHBondContact O-N 3.16Å; A392-I394 PolarHBondContact O-N 3.38Å; A392-F395 PolarHBondContact O-N 3.34Å
393	A	87.4	Confident	86.5	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.025	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-58	-30	175.8	0	0	0	0	0	113.1	L302 F306 P391 F395 K396	L302-A393 HydrophobicContact CB-CB 4.34Å; F306-A393 HydrophobicContact CB-CB 4.22Å; P391-A393 PolarHBondContact O-N 3.41Å; A393-F395 VanDerWaalsContact C-N 3.28Å; A393-F395 PolarHBondContact O-N 3.49Å; A393-K396 WeakPolarHBondContact O-CB 3.15Å; A393-K396 PolarHBondContact O-N 2.72Å; A393-K396 VanDerWaalsContact O-N 3.16Å
394	I	88.1	Confident	86.9	Confident	0 Å²	0	50 Å²	50	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-64.7	-35.1	-179.4	77.1	168.5	0	0	0	111.8	L302 L315 L317 I390 P391 A392 K396 L397 L403	L302-I394 HydrophobicContact CD1-CG2 3.69Å; L315-I394 HydrophobicContact CD2-CB 4.16Å; L315-I394 HydrophobicContact CD2-CG2 3.68Å; L317-I394 HydrophobicContact CD1-CD1 4.43Å; L317-I394 HydrophobicContact CD1-CG2 4.24Å; I390-I394 HydrophobicContact CG2-CD1 3.21Å; I390-I394 HydrophobicContact CG2-CG1 3.83Å; P391-I394 WeakPolarHBondContact O-CG1 3.36Å; P391-I394 PolarHBondContact O-N 2.86Å; A392-I394 PolarHBondContact O-N 3.38Å; I394-K396 PolarHBondContact O-N 2.62Å; I394-K396 VanDerWaalsContact O-N 3.13Å; I394-L397 HydrophobicContact CB-CD1 4.32Å; I394-L397 VanDerWaalsContact O-CB 3.28Å; I394-L397 WeakPolarHBondContact O-CB 3.43Å; I394-L397 WeakPolarHBondContact O-CG 3.5Å; I394-L397 PolarHBondContact O-N 2.89Å; I394-L403 HydrophobicContact CD1-CD1 4.14Å; I394-L403 HydrophobicContact CD1-CD2 4.16Å
395	F	88.6	Confident	87.2	Confident	5 Å²	5	43 Å²	43	2%	0.022	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-71.1	-9.8	-178.7	-55	-63.5	0	0	0	112.8	I390 A392 A393 P414 N416 L417 L419 L420	I390-F395 HydrophobicContact CB-CE2 4.45Å; I390-F395 HydrophobicContact CB-CZ 4.23Å; I390-F395 HydrophobicContact CG2-CE1 4.49Å; I390-F395 HydrophobicContact CG2-CE2 3.89Å; I390-F395 HydrophobicContact CG2-CZ 3.58Å; A392-F395 PolarHBondContact O-N 3.34Å; A393-F395 VanDerWaalsContact C-N 3.28Å; A393-F395 PolarHBondContact O-N 3.49Å; F395-P414 HydrophobicContact CD2-CG 4.47Å; F395-P414 HydrophobicContact CE1-CG 4.24Å; F395-P414 HydrophobicContact CE2-CG 3.56Å; F395-P414 HydrophobicContact CZ-CG 3.42Å; F395-P414 VanDerWaalsContact CZ-CG 3.42Å; F395-N416 HydrophobicContact CB-CB 3.8Å; F395-N416 HydrophobicContact CD1-CB 4.26Å; F395-N416 HydrophobicContact CD2-CB 3.75Å; F395-N416 HydrophobicContact CE2-CB 4.42Å; F395-N416 HydrophobicContact CG-CB 3.66Å; F395-L417 HydrophobicContact CD1-CD1 4.43Å; F395-L417 HydrophobicContact CE1-CB 4.4Å; F395-L417 HydrophobicContact CE1-CD1 4.05Å; F395-L419 HydrophobicContact CB-CD1 4.49Å; F395-L419 WeakPolarHBondContact O-CB 3.07Å; F395-L420 HydrophobicContact CD1-CD1 4.38Å
396	K	89.8	Confident	87.5	Confident	96 Å²	96	42 Å²	42	42%	0.417	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-87	-6.4	173.8	-60.5	174.4	-174	168.7	0	112.3	D304 S307 A393 I394 R398	D304-K396 IonicContact OD1-NZ 2.71Å; D304-K396 PolarHBondContact OD1-NZ 2.81Å; S307-K396 VanDerWaalsContact CB-CB 3.43Å; A393-K396 WeakPolarHBondContact O-CB 3.15Å; A393-K396 PolarHBondContact O-N 2.72Å; A393-K396 VanDerWaalsContact O-N 3.16Å; I394-K396 PolarHBondContact O-N 2.62Å; I394-K396 VanDerWaalsContact O-N 3.13Å; K396-R398 PolarHBondContact O-N 3.35Å
397	L	89.9	Confident	87.7	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	18%	0.182	C	C	.	.			trans	-77	80.9	-179.9	-65.4	165	0	0	0	111.8	F306 L309 L312 L315 I394 R399 L400 L420	F306-L397 HydrophobicContact CD1-CD1 4.22Å; F306-L397 HydrophobicContact CD1-CD2 4.42Å; F306-L397 HydrophobicContact CE1-CD1 4.08Å; L309-L397 HydrophobicContact CB-CD2 4.5Å; L312-L397 HydrophobicContact CD2-CD1 3.92Å; L312-L397 HydrophobicContact CD2-CD2 4.28Å; L315-L397 HydrophobicContact CD2-CD1 4.17Å; I394-L397 HydrophobicContact CB-CD1 4.32Å; I394-L397 VanDerWaalsContact O-CB 3.28Å; I394-L397 WeakPolarHBondContact O-CB 3.43Å; I394-L397 WeakPolarHBondContact O-CG 3.5Å; I394-L397 PolarHBondContact O-N 2.89Å; L397-R399 PolarHBondContact O-N 2.72Å; L397-L400 HydrophobicContact CB-CB 4Å; L397-L400 HydrophobicContact CD1-CD1 4.38Å; L397-L400 HydrophobicContact CD1-CD2 4.39Å; L397-L400 WeakPolarHBondContact O-CB 3.36Å; L397-L400 PolarHBondContact O-N 3Å; L397-L400 VanDerWaalsContact O-N 3.14Å; L397-L420 HydrophobicContact CB-CD2 4.42Å; L397-L420 WeakPolarHBondContact O-CD2 3.5Å
398	R	86.9	Confident	87.9	Confident	206 Å²	206	40.4 Å²	40.4	78%	0.777	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.2	-174	-65.6	-176.8	174	167.6	-1	116	K396	K396-R398 PolarHBondContact O-N 3.35Å
399	R	89.6	Confident	88.4	Confident	109 Å²	109	34.2 Å²	34.2	41%	0.411	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	0.7	-179.2	-70.6	-170.2	56.2	-165.1	21.6	114.3	Y310 L312 L397 T401	Y310-R399 WeakPolarHBondContact O-CB 3.27Å; Y310-R399 WeakPolarHBondContact O-CD 3.42Å; Y310-R399 PolarHBondContact O-NE 3.5Å; Y310-R399 PolarHBondContact O-NH1 2.74Å; L312-R399 CarbonylContact O-C 3.49Å; L397-R399 PolarHBondContact O-N 2.72Å; R399-T401 PolarHBondContact O-N 3.13Å
400	L	93.4	Very high	89	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.			trans	-61.9	129.7	176.7	-162.5	72.6	0	0	0	110.2	L312 K313 L315 L397 L403 L420 R422 L423	L312-L400 HydrophobicContact CD2-CD1 4.27Å; L312-L400 HydrophobicContact CG-CD1 4.32Å; L312-L400 PolarHBondContact O-N 2.76Å; K313-L400 WeakPolarHBondContact O-CD1 3.09Å; L315-L400 HydrophobicContact CB-CD1 3.9Å; L397-L400 HydrophobicContact CB-CB 4Å; L397-L400 HydrophobicContact CD1-CD1 4.38Å; L397-L400 HydrophobicContact CD1-CD2 4.39Å; L397-L400 WeakPolarHBondContact O-CB 3.36Å; L397-L400 PolarHBondContact O-N 3Å; L397-L400 VanDerWaalsContact O-N 3.14Å; L400-L403 HydrophobicContact CD2-CB 3.96Å; L400-L403 HydrophobicContact CD2-CD1 4.14Å; L400-L403 HydrophobicContact CD2-CD2 4.46Å; L400-L403 HydrophobicContact CD2-CG 4.4Å; L400-L420 HydrophobicContact CB-CD2 4.42Å; L400-L420 HydrophobicContact CD2-CD1 4.26Å; L400-R422 CarbonylContact O-C 3.27Å; L400-R422 VanDerWaalsContact O-C 3.25Å; L400-L423 HydrophobicContact CD2-CD1 4.36Å; L400-L423 HydrophobicContact CG-CD1 4.37Å; L400-L423 PolarHBondContact O-N 3.31Å
401	T	95.7	Very high	89.3	Confident	41 Å²	41	33.5 Å²	33.5	25%	0.252	16%	0.157	S	C	.	.			trans	-111.5	-31.5	-179.5	53	0	0	0	0	112.1	K313 R399 R424 E425	K313-T401 PolarHBondContact O-N 3.4Å; K313-T401 PolarHBondContact O-OG1 3.2Å; K313-T401 VanDerWaalsContact O-OG1 3.1Å; R399-T401 PolarHBondContact O-N 3.13Å; T401-R424 PolarHBondContact O-N 2.92Å; T401-E425 PolarHBondContact O-N 3.04Å
402	A	96	Very high	89.5	Confident	6 Å²	6	35.3 Å²	35.3	5%	0.05	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132	176.3	0	0	0	0	0	110.6	K313 A314 L315 E425	K313-A402 PolarHBondContact O-N 2.73Å; A314-A402 WeakPolarHBondContact CA-O 3.29Å; A314-A402 HydrophobicContact CB-CB 4.24Å; L315-A402 PolarHBondContact N-O 2.78Å; A402-E425 WeakPolarHBondContact CA-O 3.28Å; A402-E425 HydrophobicContact CB-CB 4.06Å
403	L	94.7	Very high	89.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.3	176.9	177.5	58.5	0	0	0	109.6	L315 I394 L400 L405 L417 L420 L423 E425 L426 Y427	L315-L403 HydrophobicContact CB-CD1 4.45Å; L315-L403 HydrophobicContact CD2-CD1 4.49Å; I394-L403 HydrophobicContact CD1-CD1 4.14Å; I394-L403 HydrophobicContact CD1-CD2 4.16Å; L400-L403 HydrophobicContact CD2-CB 3.96Å; L400-L403 HydrophobicContact CD2-CD1 4.14Å; L400-L403 HydrophobicContact CD2-CD2 4.46Å; L400-L403 HydrophobicContact CD2-CG 4.4Å; L403-L405 HydrophobicContact CD1-CD2 4.33Å; L403-L405 HydrophobicContact CD1-CG 4.15Å; L403-L405 HydrophobicContact CD2-CD1 3.92Å; L403-L405 HydrophobicContact CD2-CG 4.33Å; L403-L405 HydrophobicContact CG-CD1 4.11Å; L403-L405 HydrophobicContact CG-CG 3.98Å; L403-L417 HydrophobicContact CD2-CD1 4.25Å; L403-L420 HydrophobicContact CD2-CD1 3.88Å; L403-L423 HydrophobicContact CB-CD1 3.67Å; L403-L423 HydrophobicContact CB-CD2 4.37Å; L403-E425 PolarHBondContact N-O 3.23Å; L403-L426 HydrophobicContact CB-CD1 4.2Å; L403-L426 HydrophobicContact CD2-CD1 4.24Å; L403-L426 HydrophobicContact CG-CD1 4.23Å; L403-Y427 PolarHBondContact O-N 2.64Å
404	H	93.2	Very high	89.1	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.032	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.5	175.1	-59.2	-107.7	0	0	0	110.1	L315 H316 L317 D406 Y427	L315-H404 PolarHBondContact O-N 3.08Å; H316-H404 HydrophobicContact CB-CB 4.23Å; H316-H404 AromaticContact CE1-CD2 3.2Å; H316-H404 PolarHBondContact CE1-CD2 2.92Å; H316-H404 AromaticContact CE1-CE1 3.81Å; H316-H404 AromaticContact CE1-CG 3.83Å; H316-H404 AromaticContact CE1-NE2 3.2Å; H316-H404 PolarHBondContact CE1-NE2 3.19Å; H316-H404 AromaticContact CG-CD2 3.86Å; H316-H404 AromaticContact ND1-CD2 3.17Å; H316-H404 PolarHBondContact ND1-CD2 2.95Å; H316-H404 AromaticContact ND1-CE1 3.95Å; H316-H404 AromaticContact ND1-CG 3.36Å; H316-H404 AromaticContact ND1-ND1 3.85Å; H316-H404 AromaticContact ND1-NE2 3.58Å; H316-H404 AromaticContact NE2-CD2 3.88Å; L317-H404 PolarHBondContact N-O 2.99Å; L317-H404 VanDerWaalsContact N-O 3.11Å; L317-H404 VanDerWaalsContact O-O 3.13Å; H404-D406 IonicContact ND1-OD2 3.53Å; H404-Y427 AromaticContact CD2-CD2 3.95Å; H404-Y427 AromaticContact CE1-CD1 3.91Å; H404-Y427 AromaticContact CE1-CD2 3.24Å; H404-Y427 WeakPolarHBondContact CE1-CD2 3.42Å; H404-Y427 AromaticContact CE1-CE1 3.78Å; H404-Y427 AromaticContact CE1-CE2 3.11Å; H404-Y427 WeakPolarHBondContact CE1-CE2 3.03Å; H404-Y427 AromaticContact CE1-CG 3.66Å; H404-Y427 AromaticContact CE1-CZ 3.42Å; H404-Y427 VanDerWaalsContact CE1-CZ 3.42Å; H404-Y427 AromaticContact CG-CD2 3.72Å; H404-Y427 AromaticContact ND1-CD1 3.79Å; H404-Y427 AromaticContact ND1-CD2 3.26Å; H404-Y427 VanDerWaalsContact ND1-CD2 3.26Å; H404-Y427 WeakPolarHBondContact ND1-CD2 3.36Å; H404-Y427 AromaticContact ND1-CE2 3.68Å; H404-Y427 AromaticContact ND1-CG 3.34Å; H404-Y427 VanDerWaalsContact ND1-CG 3.34Å; H404-Y427 AromaticContact NE2-CD2 3.69Å; H404-Y427 AromaticContact NE2-CE2 3.46Å; H404-Y427 WeakPolarHBondContact NE2-CE2 3.41Å
405	L	91	Very high	88.7	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	18%	0.181	C	C	.	.			trans	-134.6	26.6	177.9	-67.7	175.8	0	0	0	110.5	L317 I390 L403 C408 L410 I413 Y427 L428 N431	L317-L405 HydrophobicContact CB-CD2 4.16Å; L317-L405 HydrophobicContact CD1-CD2 4.31Å; I390-L405 HydrophobicContact CD1-CD1 3.86Å; I390-L405 HydrophobicContact CD1-CD2 4.44Å; L403-L405 HydrophobicContact CD1-CD2 4.33Å; L403-L405 HydrophobicContact CD1-CG 4.15Å; L403-L405 HydrophobicContact CD2-CD1 3.92Å; L403-L405 HydrophobicContact CD2-CG 4.33Å; L403-L405 HydrophobicContact CG-CD1 4.11Å; L403-L405 HydrophobicContact CG-CG 3.98Å; L405-C408 VanDerWaalsContact O-CB 3.32Å; L405-C408 WeakPolarHBondContact O-CB 2.82Å; L405-C408 PolarHBondContact O-SG 2.99Å; L405-L410 HydrophobicContact CB-CD1 3.89Å; L405-L410 HydrophobicContact CD1-CD1 4.22Å; L405-I413 HydrophobicContact CD1-CD1 4.25Å; L405-Y427 CarbonylContact C-O 3.44Å; L405-Y427 WeakPolarHBondContact CA-O 3.22Å; L405-Y427 PolarHBondContact N-O 2.84Å; L405-L428 HydrophobicContact CB-CD2 3.9Å; L405-L428 HydrophobicContact CD1-CD2 4.18Å; L405-N431 PolarHBondContact O-ND2 2.95Å
406	D	89.6	Confident	88.4	Confident	27 Å²	27	44.3 Å²	44.3	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	150	174.6	-51.9	-77.2	0	0	0	110.7	H404 C408 Y427 L428 S429	H404-D406 IonicContact ND1-OD2 3.53Å; D406-C408 PolarHBondContact O-N 3.31Å; D406-C408 PolarHBondContact O-SG 3.13Å; D406-C408 VanDerWaalsContact O-SG 3.33Å; D406-Y427 PolarHBondContact N-O 2.95Å; D406-Y427 WeakPolarHBondContact OD1-CB 3.25Å; D406-Y427 WeakPolarHBondContact OD2-CB 3.42Å; D406-L428 PolarHBondContact OD1-N 3.33Å; D406-S429 CarbonylContact C-O 3.15Å; D406-S429 VanDerWaalsContact CA-O 3.24Å; D406-S429 WeakPolarHBondContact CA-O 3.17Å; D406-S429 WeakPolarHBondContact OD1-CA 3.23Å; D406-S429 VanDerWaalsContact OD1-CB 3.29Å; D406-S429 WeakPolarHBondContact OD1-CB 3.43Å; D406-S429 PolarHBondContact OD1-N 3.31Å; D406-S429 PolarHBondContact OD1-OG 3.01Å
407	R	87.5	Confident	88.1	Confident	72 Å²	72	39.8 Å²	39.8	27%	0.272	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	18.1	175.1	-59.6	174.4	-167.7	-176.1	-0.8	114.2	D83 Y295 D318 Y319 Q409 S429 K430	D83-R407 PolarHBondContact O-NH2 2.75Å; Y295-R407 PolarHBondContact OH-NH1 2.97Å; D318-R407 VanDerWaalsContact OD1-CB 3.27Å; D318-R407 WeakPolarHBondContact OD1-CB 3.43Å; Y319-R407 WeakPolarHBondContact CB-O 3.37Å; R407-Q409 VanDerWaalsContact C-N 3.29Å; R407-Q409 PolarHBondContact O-N 2.94Å; R407-S429 PolarHBondContact N-O 2.59Å; R407-K430 WeakPolarHBondContact CA-O 3.22Å; R407-K430 HydrophobicContact CG-CB 3.6Å; R407-K430 HydrophobicContact CG-CD 3.97Å; R407-K430 HydrophobicContact CG-CG 4.36Å
408	C	85.2	Confident	87.6	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.027	20%	0.195	C	C	.	.	S	Bend	trans	-81.4	5.2	-175.4	-73.4	0	0	0	0	115.4	D318 Y319 H389 L405 D406 L410 N431	D318-C408 VanDerWaalsContact CA-SG 3.58Å; Y319-C408 VanDerWaalsContact CB-CA 3.44Å; H389-C408 PolarHBondContact CE1-O 3.27Å; H389-C408 PolarHBondContact NE2-O 3.16Å; L405-C408 VanDerWaalsContact O-CB 3.32Å; L405-C408 WeakPolarHBondContact O-CB 2.82Å; L405-C408 PolarHBondContact O-SG 2.99Å; D406-C408 PolarHBondContact O-N 3.31Å; D406-C408 PolarHBondContact O-SG 3.13Å; D406-C408 VanDerWaalsContact O-SG 3.33Å; C408-L410 HydrophobicContact CB-CD1 3.56Å; C408-L410 HydrophobicContact CB-CD2 4.28Å; C408-L410 HydrophobicContact CB-CG 3.5Å; C408-L410 VanDerWaalsContact CB-CG 3.5Å; C408-L410 PolarHBondContact O-N 2.93Å; C408-L410 VanDerWaalsContact O-N 3.17Å; C408-N431 VanDerWaalsContact C-OD1 3.32Å; C408-N431 WeakPolarHBondContact CA-OD1 3.35Å; C408-N431 PolarHBondContact N-OD1 3.12Å
409	Q	85.3	Confident	87.6	Confident	24 Å²	24	36.4 Å²	36.4	11%	0.112	18%	0.179	C	C	.	.			trans	54.2	30	-172.8	-55.8	-168.5	-30.8	0	0	113.7	Y319 D377 R407 N431 Y432	Y319-Q409 VanDerWaalsContact CD1-CD 3.49Å; Y319-Q409 HydrophobicContact CD1-CG 3.63Å; Y319-Q409 HydrophobicContact CD2-CB 4.44Å; Y319-Q409 HydrophobicContact CD2-CG 4.3Å; Y319-Q409 HydrophobicContact CE1-CG 3.89Å; Y319-Q409 HydrophobicContact CE2-CG 4.44Å; Y319-Q409 HydrophobicContact CG-CB 4.42Å; Y319-Q409 HydrophobicContact CG-CG 3.91Å; Y319-Q409 VanDerWaalsContact CZ-CD 3.44Å; Y319-Q409 PolarHBondContact OH-OE1 3.05Å; D377-Q409 PolarHBondContact OD1-NE2 2.83Å; R407-Q409 VanDerWaalsContact C-N 3.29Å; R407-Q409 PolarHBondContact O-N 2.94Å; Q409-N431 PolarHBondContact N-OD1 3.11Å; Q409-Y432 HydrophobicContact CB-CD2 4.05Å; Q409-Y432 HydrophobicContact CB-CE2 3.55Å; Q409-Y432 HydrophobicContact CG-CE2 3.8Å; Q409-Y432 PolarHBondContact NE2-OH 2.99Å
410	L	87.3	Confident	87.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.			trans	-79	131.2	-177	-61.7	168.5	0	0	0	110.3	S387 H389 I390 L405 C408 I413 L428 N431 Y432 F433	S387-L410 WeakPolarHBondContact OG-CA 3.49Å; H389-L410 VanDerWaalsContact CE1-CD2 3.4Å; H389-L410 WeakPolarHBondContact CE1-CD2 3.38Å; I390-L410 HydrophobicContact CD1-CD1 3.83Å; I390-L410 HydrophobicContact CD1-CD2 3.66Å; I390-L410 HydrophobicContact CD1-CG 4.42Å; I390-L410 HydrophobicContact CG1-CD1 4.49Å; I390-L410 HydrophobicContact CG1-CD2 3.79Å; L405-L410 HydrophobicContact CB-CD1 3.89Å; L405-L410 HydrophobicContact CD1-CD1 4.22Å; C408-L410 HydrophobicContact CB-CD1 3.56Å; C408-L410 HydrophobicContact CB-CD2 4.28Å; C408-L410 HydrophobicContact CB-CG 3.5Å; C408-L410 VanDerWaalsContact CB-CG 3.5Å; C408-L410 PolarHBondContact O-N 2.93Å; C408-L410 VanDerWaalsContact O-N 3.17Å; L410-I413 HydrophobicContact CD1-CD1 4.02Å; L410-L428 HydrophobicContact CD1-CD2 4.33Å; L410-N431 HydrophobicContact CB-CB 4.32Å; L410-N431 WeakPolarHBondContact CB-OD1 3.24Å; L410-N431 PolarHBondContact N-OD1 3.09Å; L410-N431 WeakPolarHBondContact O-CB 3.43Å; L410-Y432 CarbonylContact O-C 3.38Å; L410-Y432 WeakPolarHBondContact O-CA 3.45Å; L410-Y432 PolarHBondContact O-N 2.71Å; L410-F433 HydrophobicContact CB-CE1 4.13Å; L410-F433 HydrophobicContact CB-CE2 3.97Å; L410-F433 HydrophobicContact CB-CZ 3.46Å; L410-F433 VanDerWaalsContact CB-CZ 3.46Å; L410-F433 HydrophobicContact CD1-CZ 4.37Å; L410-F433 PolarHBondContact O-N 3.37Å
411	N	87.4	Confident	87.3	Confident	26 Å²	26	39 Å²	39	14%	0.139	19%	0.193	C	C	.	.	S	Bend	trans	-119.6	-0.8	164.5	68.2	-2.2	0	0	0	112	L380 M385 K386 S387 Y432	L380-N411 PolarHBondContact O-ND2 3.12Å; M385-N411 PolarHBondContact O-ND2 3.26Å; K386-N411 WeakPolarHBondContact CA-OD1 3.35Å; S387-N411 PolarHBondContact N-OD1 2.77Å; S387-N411 PolarHBondContact OG-N 2.93Å; S387-N411 VanDerWaalsContact OG-N 3.1Å; S387-N411 PolarHBondContact OG-OD1 3.3Å; N411-Y432 VanDerWaalsContact CB-O 3.28Å; N411-Y432 WeakPolarHBondContact CB-O 3.42Å
412	F	86.4	Confident	87.1	Confident	50 Å²	50	43.3 Å²	43.3	22%	0.219	21%	0.205	C	C	.	.			trans	-143.6	135.5	-179.1	179.4	-100.9	0	0	0	110.1	K386 S387 Y388 P414	K386-F412 HydrophobicContact CB-CB 3.99Å; K386-F412 HydrophobicContact CB-CG 4.21Å; K386-F412 HydrophobicContact CD-CD2 3.88Å; K386-F412 HydrophobicContact CD-CE2 4.27Å; K386-F412 HydrophobicContact CD-CG 4.09Å; K386-F412 HydrophobicContact CG-CB 4.17Å; K386-F412 HydrophobicContact CG-CD2 4.38Å; K386-F412 HydrophobicContact CG-CG 4.26Å; S387-F412 PolarHBondContact OG-N 3.26Å; S387-F412 VanDerWaalsContact OG-N 3.08Å; S387-F412 PolarHBondContact OG-O 3.23Å; Y388-F412 HydrophobicContact CD1-CD1 4.14Å; Y388-F412 HydrophobicContact CD1-CE1 4.09Å; Y388-F412 AromaticContact CE1-CD1 3.78Å; Y388-F412 HydrophobicContact CE1-CD1 3.78Å; Y388-F412 AromaticContact CE1-CE1 3.48Å; Y388-F412 HydrophobicContact CE1-CE1 3.48Å; Y388-F412 VanDerWaalsContact CE1-CE1 3.48Å; Y388-F412 HydrophobicContact CE1-CZ 4.3Å; F412-P414 HydrophobicContact CE1-CB 4.05Å
413	I	84.9	Confident	87	Confident	9 Å²	9	43 Å²	43	5%	0.046	20%	0.202	C	C	.	.			trans	-115.7	128	168.4	-68.7	-65.8	0	0	0	107.6	I390 L405 L410 L417 L428 F433 P437	I390-I413 HydrophobicContact CD1-CD1 3.86Å; L405-I413 HydrophobicContact CD1-CD1 4.25Å; L410-I413 HydrophobicContact CD1-CD1 4.02Å; I413-L417 HydrophobicContact CG2-CB 3.83Å; I413-L417 HydrophobicContact CG2-CD2 3.8Å; I413-L417 HydrophobicContact CG2-CG 4.25Å; I413-L428 HydrophobicContact CD1-CD2 3.96Å; I413-L428 HydrophobicContact CG1-CD2 4.46Å; I413-F433 HydrophobicContact CD1-CE1 4.47Å; I413-F433 HydrophobicContact CD1-CZ 3.89Å; I413-F433 HydrophobicContact CG1-CE1 3.72Å; I413-F433 HydrophobicContact CG1-CZ 3.53Å; I413-P437 HydrophobicContact CB-CB 4.17Å; I413-P437 HydrophobicContact CB-CG 4.42Å; I413-P437 HydrophobicContact CG1-CG 4.3Å
414	P	81	Confident	87.1	Confident	29 Å²	29	48.6 Å²	48.6	19%	0.188	22%	0.223	C	C	.	.			trans	-68.9	153.1	177.7	29.8	-35	0	0	0	111.6	F395 F412 N416 L417	F395-P414 HydrophobicContact CD2-CG 4.47Å; F395-P414 HydrophobicContact CE1-CG 4.24Å; F395-P414 HydrophobicContact CE2-CG 3.56Å; F395-P414 HydrophobicContact CZ-CG 3.42Å; F395-P414 VanDerWaalsContact CZ-CG 3.42Å; F412-P414 HydrophobicContact CE1-CB 4.05Å; P414-N416 PolarHBondContact O-N 3.12Å; P414-L417 PolarHBondContact O-N 3.47Å; P414-L417 VanDerWaalsContact O-N 3.1Å
415	E	79.7	Confident	87.3	Confident	143 Å²	143	51.4 Å²	51.4	67%	0.668	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-59.5	-19.4	176	-66.2	-177.4	176.3	0	0	112.9	L417 T418	E415-L417 PolarHBondContact O-N 3.09Å; E415-T418 WeakPolarHBondContact O-CB 3.33Å; E415-T418 WeakPolarHBondContact O-CG2 3.18Å; E415-T418 PolarHBondContact O-N 3.38Å; E415-T418 PolarHBondContact O-OG1 3.17Å
416	N	82.2	Confident	87.5	Confident	77 Å²	77	51.4 Å²	51.4	41%	0.412	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-57.3	-18.2	174.2	-65.1	36.3	0	0	0	113.4	F395 P414 T418 L419	F395-N416 HydrophobicContact CB-CB 3.8Å; F395-N416 HydrophobicContact CD1-CB 4.26Å; F395-N416 HydrophobicContact CD2-CB 3.75Å; F395-N416 HydrophobicContact CE2-CB 4.42Å; F395-N416 HydrophobicContact CG-CB 3.66Å; P414-N416 PolarHBondContact O-N 3.12Å; N416-T418 PolarHBondContact O-N 3.33Å; N416-T418 VanDerWaalsContact O-N 3.13Å; N416-L419 HydrophobicContact CB-CD1 4.32Å; N416-L419 VanDerWaalsContact O-CB 3.26Å; N416-L419 WeakPolarHBondContact O-CB 3.44Å; N416-L419 WeakPolarHBondContact O-CG 3.47Å; N416-L419 PolarHBondContact O-N 3.43Å
417	L	83.8	Confident	87.8	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-53.7	-30.1	170.7	-167.7	74.7	0	0	0	111.9	F395 L403 I413 P414 E415 L419 L420 L423 L426 L440 L443	F395-L417 HydrophobicContact CD1-CD1 4.43Å; F395-L417 HydrophobicContact CE1-CB 4.4Å; F395-L417 HydrophobicContact CE1-CD1 4.05Å; L403-L417 HydrophobicContact CD2-CD1 4.25Å; I413-L417 HydrophobicContact CG2-CB 3.83Å; I413-L417 HydrophobicContact CG2-CD2 3.8Å; I413-L417 HydrophobicContact CG2-CG 4.25Å; P414-L417 PolarHBondContact O-N 3.47Å; P414-L417 VanDerWaalsContact O-N 3.1Å; E415-L417 PolarHBondContact O-N 3.09Å; L417-L419 PolarHBondContact O-N 3.21Å; L417-L420 HydrophobicContact CD1-CD1 3.9Å; L417-L420 PolarHBondContact O-N 2.79Å; L417-L420 VanDerWaalsContact O-N 3.09Å; L417-L423 HydrophobicContact CD1-CD2 4.44Å; L417-L426 HydrophobicContact CD2-CD2 3.93Å; L417-L440 HydrophobicContact CD2-CD1 4.48Å; L417-L443 HydrophobicContact CD2-CD1 3.74Å; L417-L443 HydrophobicContact CG-CD1 4.02Å
418	T	79.2	Confident	88.1	Confident	53 Å²	53	48.3 Å²	48.3	33%	0.325	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-53.4	-23.2	173	59	0	0	0	0	114.4	E415 N416 L420 T442	E415-T418 WeakPolarHBondContact O-CB 3.33Å; E415-T418 WeakPolarHBondContact O-CG2 3.18Å; E415-T418 PolarHBondContact O-N 3.38Å; E415-T418 PolarHBondContact O-OG1 3.17Å; N416-T418 PolarHBondContact O-N 3.33Å; N416-T418 VanDerWaalsContact O-N 3.13Å; T418-L420 VanDerWaalsContact C-N 3.31Å; T418-T442 WeakPolarHBondContact CA-OG1 3.41Å; T418-T442 VanDerWaalsContact CG2-CB 3.49Å; T418-T442 HydrophobicContact CG2-CG2 3.37Å; T418-T442 WeakPolarHBondContact CG2-OG1 3.47Å
419	L	85.9	Confident	88.5	Confident	86 Å²	86	48.9 Å²	48.9	45%	0.45	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-77.6	-18.4	-177.4	-60.3	177	0	0	0	112.5	F395 N416 L417 K421	F395-L419 HydrophobicContact CB-CD1 4.49Å; F395-L419 WeakPolarHBondContact O-CB 3.07Å; N416-L419 HydrophobicContact CB-CD1 4.32Å; N416-L419 VanDerWaalsContact O-CB 3.26Å; N416-L419 WeakPolarHBondContact O-CB 3.44Å; N416-L419 WeakPolarHBondContact O-CG 3.47Å; N416-L419 PolarHBondContact O-N 3.43Å; L417-L419 PolarHBondContact O-N 3.21Å; L419-K421 PolarHBondContact O-N 3.39Å
420	L	89.9	Confident	88.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.234	C	C	.	.			trans	-82.2	62.4	179.5	-58.9	-179	0	0	0	111.4	F395 L397 L400 L403 L417 T418 R422 L423	F395-L420 HydrophobicContact CD1-CD1 4.38Å; L397-L420 HydrophobicContact CB-CD2 4.42Å; L397-L420 WeakPolarHBondContact O-CD2 3.5Å; L400-L420 HydrophobicContact CB-CD2 4.42Å; L400-L420 HydrophobicContact CD2-CD1 4.26Å; L403-L420 HydrophobicContact CD2-CD1 3.88Å; L417-L420 HydrophobicContact CD1-CD1 3.9Å; L417-L420 PolarHBondContact O-N 2.79Å; L417-L420 VanDerWaalsContact O-N 3.09Å; T418-L420 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 3.19Å; L420-L423 HydrophobicContact CB-CB 4.01Å; L420-L423 HydrophobicContact CD1-CD1 4.49Å; L420-L423 HydrophobicContact CD1-CD2 4.18Å; L420-L423 WeakPolarHBondContact O-CB 3.39Å; L420-L423 PolarHBondContact O-N 3.04Å
421	K	87.1	Confident	89.1	Confident	162 Å²	162	50.8 Å²	50.8	70%	0.704	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-1.3	-174.1	-61.7	-171.3	177.3	-172.1	0	116.1	L419 T446	L419-K421 PolarHBondContact O-N 3.39Å; K421-T446 WeakPolarHBondContact O-CG2 3.39Å
422	R	91.6	Very high	89.2	Confident	132 Å²	132	51.1 Å²	51.1	50%	0.498	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	4.5	177.7	-70.2	-168.7	171.6	-169.9	0.3	112.7	L400 L420 R424	L400-R422 CarbonylContact O-C 3.27Å; L400-R422 VanDerWaalsContact O-C 3.25Å; L420-R422 PolarHBondContact O-N 3.19Å; R422-R424 PolarHBondContact O-N 3.5Å
423	L	94.7	Very high	89.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.225	C	C	.	.			trans	-68.3	122.3	-178.7	-162.5	71.8	0	0	0	110	L400 L403 L417 L420 L426 L443 T446 L447	L400-L423 HydrophobicContact CD2-CD1 4.36Å; L400-L423 HydrophobicContact CG-CD1 4.37Å; L400-L423 PolarHBondContact O-N 3.31Å; L403-L423 HydrophobicContact CB-CD1 3.67Å; L403-L423 HydrophobicContact CB-CD2 4.37Å; L417-L423 HydrophobicContact CD1-CD2 4.44Å; L420-L423 HydrophobicContact CB-CB 4.01Å; L420-L423 HydrophobicContact CD1-CD1 4.49Å; L420-L423 HydrophobicContact CD1-CD2 4.18Å; L420-L423 WeakPolarHBondContact O-CB 3.39Å; L420-L423 PolarHBondContact O-N 3.04Å; L423-L426 HydrophobicContact CD2-CB 4.14Å; L423-L426 HydrophobicContact CD2-CD1 4.25Å; L423-L426 HydrophobicContact CD2-CD2 4.34Å; L423-L426 HydrophobicContact CD2-CG 4.48Å; L423-L443 HydrophobicContact CD2-CD1 3.8Å; L423-T446 CarbonylContact O-C 3.58Å; L423-T446 VanDerWaalsContact O-CB 3.24Å; L423-T446 WeakPolarHBondContact O-CB 2.93Å; L423-T446 PolarHBondContact O-OG1 3.46Å; L423-L447 HydrophobicContact CG-CD1 4.45Å
424	R	96.1	Very high	89.8	Confident	117 Å²	117	53 Å²	53	44%	0.442	24%	0.24	S	C	.	.			trans	-108	-34.6	178.8	-60.5	-171.5	-174.4	-70.9	-5.4	111.6	T401 R422 T446 L447 E448 Y449	T401-R424 PolarHBondContact O-N 2.92Å; R422-R424 PolarHBondContact O-N 3.5Å; R424-T446 WeakPolarHBondContact CA-O 3.23Å; R424-L447 WeakPolarHBondContact O-CD1 3.47Å; R424-E448 WeakPolarHBondContact CD-OE1 3.36Å; R424-E448 IonicContact CZ-OE1 3.79Å; R424-E448 IonicContact NE-OE1 3.68Å; R424-E448 IonicContact NH1-OE1 3.5Å; R424-E448 PolarHBondContact NH1-OE1 3.14Å; R424-E448 PolarHBondContact O-N 3.29Å; R424-Y449 PolarHBondContact O-N 3.32Å
425	E	97.4	Very high	90.2	Very high	67 Å²	67	53.4 Å²	53.4	31%	0.313	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.6	-175.1	-50.4	177.7	-173.8	0	0	109.7	T401 A402 L403 Y427 Y449	T401-E425 PolarHBondContact O-N 3.04Å; A402-E425 WeakPolarHBondContact CA-O 3.28Å; A402-E425 HydrophobicContact CB-CB 4.06Å; L403-E425 PolarHBondContact N-O 3.23Å; E425-Y427 HydrophobicContact CB-CD2 4.48Å; E425-Y427 HydrophobicContact CB-CE2 3.71Å; E425-Y427 PolarHBondContact OE2-OH 2.94Å; E425-Y449 WeakPolarHBondContact CA-O 3.29Å
426	L	95.6	Very high	90.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.2	178.7	179.9	58.2	0	0	0	110	L403 L417 L423 L428 L440 L443 L447 Y449 L450 D451	L403-L426 HydrophobicContact CB-CD1 4.2Å; L403-L426 HydrophobicContact CD2-CD1 4.24Å; L403-L426 HydrophobicContact CG-CD1 4.23Å; L417-L426 HydrophobicContact CD2-CD2 3.93Å; L423-L426 HydrophobicContact CD2-CB 4.14Å; L423-L426 HydrophobicContact CD2-CD1 4.25Å; L423-L426 HydrophobicContact CD2-CD2 4.34Å; L423-L426 HydrophobicContact CD2-CG 4.48Å; L426-L428 HydrophobicContact CD1-CD1 4.41Å; L426-L428 HydrophobicContact CD1-CD2 4.34Å; L426-L428 HydrophobicContact CD1-CG 4.09Å; L426-L428 HydrophobicContact CD2-CD1 3.8Å; L426-L428 HydrophobicContact CD2-CG 4.36Å; L426-L428 HydrophobicContact CG-CD1 3.9Å; L426-L428 HydrophobicContact CG-CG 3.93Å; L426-L440 HydrophobicContact CD2-CD1 3.42Å; L426-L440 VanDerWaalsContact CD2-CD1 3.42Å; L426-L443 HydrophobicContact CD2-CD1 4.24Å; L426-L447 HydrophobicContact CB-CD1 3.76Å; L426-L447 HydrophobicContact CB-CD2 4.44Å; L426-Y449 PolarHBondContact N-O 3.2Å; L426-L450 HydrophobicContact CB-CD1 4.46Å; L426-L450 WeakPolarHBondContact O-CA 3.16Å; L426-D451 PolarHBondContact O-N 3.27Å; L426-D451 VanDerWaalsContact O-N 3.11Å
427	Y	95.2	Very high	90.7	Very high	32 Å²	32	44.9 Å²	44.9	13%	0.125	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.9	-178.7	-55.9	-108.4	0	0	0	109	L403 H404 L405 D406 E425 Y449 D451	L403-Y427 PolarHBondContact O-N 2.64Å; H404-Y427 AromaticContact CD2-CD2 3.95Å; H404-Y427 AromaticContact CE1-CD1 3.91Å; H404-Y427 AromaticContact CE1-CD2 3.24Å; H404-Y427 WeakPolarHBondContact CE1-CD2 3.42Å; H404-Y427 AromaticContact CE1-CE1 3.78Å; H404-Y427 AromaticContact CE1-CE2 3.11Å; H404-Y427 WeakPolarHBondContact CE1-CE2 3.03Å; H404-Y427 AromaticContact CE1-CG 3.66Å; H404-Y427 AromaticContact CE1-CZ 3.42Å; H404-Y427 VanDerWaalsContact CE1-CZ 3.42Å; H404-Y427 AromaticContact CG-CD2 3.72Å; H404-Y427 AromaticContact ND1-CD1 3.79Å; H404-Y427 AromaticContact ND1-CD2 3.26Å; H404-Y427 VanDerWaalsContact ND1-CD2 3.26Å; H404-Y427 WeakPolarHBondContact ND1-CD2 3.36Å; H404-Y427 AromaticContact ND1-CE2 3.68Å; H404-Y427 AromaticContact ND1-CG 3.34Å; H404-Y427 VanDerWaalsContact ND1-CG 3.34Å; H404-Y427 AromaticContact NE2-CD2 3.69Å; H404-Y427 AromaticContact NE2-CE2 3.46Å; H404-Y427 WeakPolarHBondContact NE2-CE2 3.41Å; L405-Y427 CarbonylContact C-O 3.44Å; L405-Y427 WeakPolarHBondContact CA-O 3.22Å; L405-Y427 PolarHBondContact N-O 2.84Å; D406-Y427 PolarHBondContact N-O 2.95Å; D406-Y427 WeakPolarHBondContact OD1-CB 3.25Å; D406-Y427 WeakPolarHBondContact OD2-CB 3.42Å; E425-Y427 HydrophobicContact CB-CD2 4.48Å; E425-Y427 HydrophobicContact CB-CE2 3.71Å; E425-Y427 PolarHBondContact OE2-OH 2.94Å; Y427-Y449 HydrophobicContact CD1-CD1 4.31Å; Y427-Y449 AromaticContact CD1-CE1 3.59Å; Y427-Y449 HydrophobicContact CD1-CE1 3.59Å; Y427-Y449 AromaticContact CE1-CD1 3.86Å; Y427-Y449 HydrophobicContact CE1-CD1 3.86Å; Y427-Y449 AromaticContact CE1-CE1 3.14Å; Y427-Y449 HydrophobicContact CE1-CE1 3.14Å; Y427-Y449 HydrophobicContact CE1-CE2 4.5Å; Y427-Y449 AromaticContact CE1-CZ 3.53Å; Y427-Y449 HydrophobicContact CE2-CD1 4.22Å; Y427-Y449 HydrophobicContact CE2-CE1 4.31Å; Y427-Y449 HydrophobicContact CG-CE1 4.33Å; Y427-Y449 AromaticContact CZ-CD1 3.78Å; Y427-Y449 AromaticContact CZ-CE1 3.54Å; Y427-D451 HydrophobicContact CD1-CB 4.35Å
428	L	94	Very high	90.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.245	C	C	.	.			trans	-131.1	19.2	-174.5	-71.6	170.7	0	0	0	110.9	L405 D406 L410 I413 L426 N431 F433 D451 L452 N455	L405-L428 HydrophobicContact CB-CD2 3.9Å; L405-L428 HydrophobicContact CD1-CD2 4.18Å; D406-L428 PolarHBondContact OD1-N 3.33Å; L410-L428 HydrophobicContact CD1-CD2 4.33Å; I413-L428 HydrophobicContact CD1-CD2 3.96Å; I413-L428 HydrophobicContact CG1-CD2 4.46Å; L426-L428 HydrophobicContact CD1-CD1 4.41Å; L426-L428 HydrophobicContact CD1-CD2 4.34Å; L426-L428 HydrophobicContact CD1-CG 4.09Å; L426-L428 HydrophobicContact CD2-CD1 3.8Å; L426-L428 HydrophobicContact CD2-CG 4.36Å; L426-L428 HydrophobicContact CG-CD1 3.9Å; L426-L428 HydrophobicContact CG-CG 3.93Å; L428-N431 VanDerWaalsContact C-ND2 3.28Å; L428-N431 PolarHBondContact O-ND2 2.8Å; L428-F433 HydrophobicContact CB-CE2 4.05Å; L428-F433 HydrophobicContact CD1-CE2 4.37Å; L428-F433 HydrophobicContact CD2-CE2 3.87Å; L428-F433 HydrophobicContact CD2-CZ 4.11Å; L428-F433 HydrophobicContact CG-CE2 4.33Å; L428-D451 CarbonylContact C-O 3.48Å; L428-D451 WeakPolarHBondContact CA-O 3.15Å; L428-D451 WeakPolarHBondContact CB-O 3.38Å; L428-D451 PolarHBondContact N-O 3.16Å; L428-L452 HydrophobicContact CB-CD2 3.91Å; L428-L452 HydrophobicContact CD1-CD2 3.89Å; L428-N455 PolarHBondContact O-ND2 2.69Å
429	S	94.2	Very high	90.8	Very high	16 Å²	16	50.2 Å²	50.2	11%	0.112	23%	0.233	C	C	.	.			trans	-66.2	157.5	-176.3	72.8	0	0	0	0	112.3	D406 R407 N431 D451 S453	D406-S429 CarbonylContact C-O 3.15Å; D406-S429 VanDerWaalsContact CA-O 3.24Å; D406-S429 WeakPolarHBondContact CA-O 3.17Å; D406-S429 WeakPolarHBondContact OD1-CA 3.23Å; D406-S429 VanDerWaalsContact OD1-CB 3.29Å; D406-S429 WeakPolarHBondContact OD1-CB 3.43Å; D406-S429 PolarHBondContact OD1-N 3.31Å; D406-S429 PolarHBondContact OD1-OG 3.01Å; R407-S429 PolarHBondContact N-O 2.59Å; S429-N431 VanDerWaalsContact C-N 3.27Å; S429-N431 PolarHBondContact O-N 3.12Å; S429-N431 PolarHBondContact O-ND2 2.79Å; S429-D451 PolarHBondContact N-O 3.4Å; S429-S453 CarbonylContact C-O 3.48Å; S429-S453 WeakPolarHBondContact CA-O 3.12Å; S429-S453 WeakPolarHBondContact CB-O 3.31Å
430	K	92.2	Very high	90.9	Very high	60 Å²	60	46.2 Å²	46.2	26%	0.261	21%	0.212	S	C	.	.	S	Bend	trans	56.2	40.1	174.6	-62	176.6	-178.8	-167.3	0	112.8	D83 R407 S453 D454	D83-K430 IonicContact OD2-NZ 3.19Å; D83-K430 PolarHBondContact OD2-NZ 3.1Å; R407-K430 WeakPolarHBondContact CA-O 3.22Å; R407-K430 HydrophobicContact CG-CB 3.6Å; R407-K430 HydrophobicContact CG-CD 3.97Å; R407-K430 HydrophobicContact CG-CG 4.36Å; K430-S453 PolarHBondContact N-O 3.08Å; K430-D454 HydrophobicContact CB-CB 4.24Å; K430-D454 VanDerWaalsContact CE-OD2 3.26Å; K430-D454 WeakPolarHBondContact CE-OD2 3.45Å; K430-D454 HydrophobicContact CG-CB 3.57Å; K430-D454 WeakPolarHBondContact CG-OD2 3.23Å
431	N	92.1	Very high	90.8	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.027	22%	0.22	C	C	.	.	S	Bend	trans	-109.5	-170.1	175.9	-83.5	-60.6	0	0	0	110.8	L405 C408 Q409 L410 L428 S429 F433 N455	L405-N431 PolarHBondContact O-ND2 2.95Å; C408-N431 VanDerWaalsContact C-OD1 3.32Å; C408-N431 WeakPolarHBondContact CA-OD1 3.35Å; C408-N431 PolarHBondContact N-OD1 3.12Å; Q409-N431 PolarHBondContact N-OD1 3.11Å; L410-N431 HydrophobicContact CB-CB 4.32Å; L410-N431 WeakPolarHBondContact CB-OD1 3.24Å; L410-N431 PolarHBondContact N-OD1 3.09Å; L410-N431 WeakPolarHBondContact O-CB 3.43Å; L428-N431 VanDerWaalsContact C-ND2 3.28Å; L428-N431 PolarHBondContact O-ND2 2.8Å; S429-N431 VanDerWaalsContact C-N 3.27Å; S429-N431 PolarHBondContact O-N 3.12Å; S429-N431 PolarHBondContact O-ND2 2.79Å; N431-F433 HydrophobicContact CB-CD2 3.77Å; N431-F433 HydrophobicContact CB-CE2 3.7Å; N431-N455 VanDerWaalsContact CA-OD1 3.27Å; N431-N455 WeakPolarHBondContact CA-OD1 3.36Å; N431-N455 WeakPolarHBondContact CB-OD1 3.47Å; N431-N455 PolarHBondContact N-OD1 2.8Å; N431-N455 PolarHBondContact O-OD1 2.74Å
432	Y	90.8	Very high	90.7	Very high	33 Å²	33	43.5 Å²	43.5	13%	0.129	21%	0.205	C	C	.	.			trans	-113.8	29	-178.4	-55.8	-28.2	0	0	0	112.4	D377 L380 R381 Q409 L410 N411 R434 N455	D377-Y432 PolarHBondContact OD1-OH 2.83Å; D377-Y432 VanDerWaalsContact OD1-OH 3.1Å; L380-Y432 HydrophobicContact CB-CD2 3.91Å; L380-Y432 HydrophobicContact CB-CE2 4.33Å; R381-Y432 HydrophobicContact CG-CD1 3.83Å; R381-Y432 HydrophobicContact CG-CD2 3.68Å; R381-Y432 HydrophobicContact CG-CE1 3.88Å; R381-Y432 HydrophobicContact CG-CE2 3.66Å; R381-Y432 HydrophobicContact CG-CG 3.78Å; R381-Y432 VanDerWaalsContact CZ-OH 3.23Å; R381-Y432 PolarHBondContact NH2-OH 3Å; Q409-Y432 HydrophobicContact CB-CD2 4.05Å; Q409-Y432 HydrophobicContact CB-CE2 3.55Å; Q409-Y432 HydrophobicContact CG-CE2 3.8Å; Q409-Y432 PolarHBondContact NE2-OH 2.99Å; L410-Y432 CarbonylContact O-C 3.38Å; L410-Y432 WeakPolarHBondContact O-CA 3.45Å; L410-Y432 PolarHBondContact O-N 2.71Å; N411-Y432 VanDerWaalsContact CB-O 3.28Å; N411-Y432 WeakPolarHBondContact CB-O 3.42Å; Y432-R434 PolarHBondContact O-N 2.9Å; Y432-N455 PolarHBondContact N-OD1 2.88Å
433	F	91.9	Very high	90.5	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	18%	0.183	C	C	.	.			trans	-66.1	121.3	176	-64.7	-65	0	0	0	110.4	L410 I413 L428 N431 P437 N455 K456	L410-F433 HydrophobicContact CB-CE1 4.13Å; L410-F433 HydrophobicContact CB-CE2 3.97Å; L410-F433 HydrophobicContact CB-CZ 3.46Å; L410-F433 VanDerWaalsContact CB-CZ 3.46Å; L410-F433 HydrophobicContact CD1-CZ 4.37Å; L410-F433 PolarHBondContact O-N 3.37Å; I413-F433 HydrophobicContact CD1-CE1 4.47Å; I413-F433 HydrophobicContact CD1-CZ 3.89Å; I413-F433 HydrophobicContact CG1-CE1 3.72Å; I413-F433 HydrophobicContact CG1-CZ 3.53Å; L428-F433 HydrophobicContact CB-CE2 4.05Å; L428-F433 HydrophobicContact CD1-CE2 4.37Å; L428-F433 HydrophobicContact CD2-CE2 3.87Å; L428-F433 HydrophobicContact CD2-CZ 4.11Å; L428-F433 HydrophobicContact CG-CE2 4.33Å; N431-F433 HydrophobicContact CB-CD2 3.77Å; N431-F433 HydrophobicContact CB-CE2 3.7Å; F433-P437 HydrophobicContact CD1-CG 3.67Å; F433-P437 HydrophobicContact CE1-CG 3.75Å; F433-P437 HydrophobicContact CG-CG 4.36Å; F433-N455 HydrophobicContact CB-CB 4.12Å; F433-N455 WeakPolarHBondContact CB-OD1 3.28Å; F433-N455 WeakPolarHBondContact CD2-OD1 3.42Å; F433-N455 PolarHBondContact N-OD1 3.33Å; F433-K456 CarbonylContact O-C 3.26Å
434	R	90.5	Very high	90.2	Very high	95 Å²	95	40.5 Å²	40.5	36%	0.358	20%	0.197	S	C	.	.	S	Bend	trans	-95	-7.2	175.5	-60	178.6	75.8	109.9	1.4	113	R381 S382 Y432 K456 L457 D458	R381-R434 PolarHBondContact O-NH1 2.76Å; S382-R434 VanDerWaalsContact CA-NH1 3.3Å; Y432-R434 PolarHBondContact O-N 2.9Å; R434-K456 WeakPolarHBondContact CA-O 3.26Å; R434-L457 WeakPolarHBondContact O-CA 3.45Å; R434-D458 HydrophobicContact CB-CB 4.47Å; R434-D458 WeakPolarHBondContact CB-OD2 3.23Å; R434-D458 IonicContact CZ-OD1 3.17Å; R434-D458 IonicContact CZ-OD2 2.72Å; R434-D458 VanDerWaalsContact NE-CG 3.25Å; R434-D458 IonicContact NE-OD1 2.89Å; R434-D458 PolarHBondContact NE-OD1 3.22Å; R434-D458 IonicContact NE-OD2 3.48Å; R434-D458 PolarHBondContact NE-OD2 2.98Å; R434-D458 IonicContact NH2-OD1 2.81Å; R434-D458 PolarHBondContact NH2-OD1 3.06Å; R434-D458 IonicContact NH2-OD2 2.62Å; R434-D458 PolarHBondContact NH2-OD2 2.89Å; R434-D458 PolarHBondContact O-N 3.02Å
435	G	89.9	Confident	89.8	Confident	38 Å²	38	39.8 Å²	39.8	39%	0.392	20%	0.202	S	C	.	.	S	Bend	trans	-156	160.2	177	0	0	0	0	0	108.8	P437	G435-P437 VanDerWaalsContact O-CD 3.29Å; G435-P437 WeakPolarHBondContact O-CD 3.39Å
436	I	88.9	Confident	89.5	Confident	21 Å²	21	38.1 Å²	38.1	11%	0.108	20%	0.197	C	C	.	.			trans	-68.4	119.8	172.3	-54.8	-59.1	0	0	0	108.6	Q438 L440 F441 L452 L457 L467 P468 F471 M486	I436-Q438 PolarHBondContact O-N 3.19Å; I436-L440 HydrophobicContact CG2-CD2 3.84Å; I436-F441 HydrophobicContact CB-CZ 4.28Å; I436-F441 HydrophobicContact CG2-CE1 4.42Å; I436-F441 HydrophobicContact CG2-CE2 4.01Å; I436-F441 HydrophobicContact CG2-CZ 3.71Å; I436-L452 HydrophobicContact CD1-CD1 3.63Å; I436-L457 HydrophobicContact CD1-CD1 4.37Å; I436-L457 HydrophobicContact CD1-CD2 4.38Å; I436-L467 HydrophobicContact CD1-CD2 4.34Å; I436-L467 HydrophobicContact CG1-CD2 4.5Å; I436-P468 HydrophobicContact CB-CG 4.1Å; I436-P468 HydrophobicContact CG1-CG 3.99Å; I436-F471 HydrophobicContact CD1-CE2 4.42Å; I436-F471 HydrophobicContact CG1-CE2 4.28Å; I436-F471 HydrophobicContact CG2-CE2 4.16Å; I436-M486 HydrophobicContact CD1-CE 4.19Å
437	P	83.2	Confident	89.4	Confident	19 Å²	19	38.1 Å²	38.1	12%	0.123	20%	0.196	C	C	.	.			trans	-62.2	131.1	-178.6	-22.6	33.6	0	0	0	111.6	I413 F433 G435 G439 L440	I413-P437 HydrophobicContact CB-CB 4.17Å; I413-P437 HydrophobicContact CB-CG 4.42Å; I413-P437 HydrophobicContact CG1-CG 4.3Å; F433-P437 HydrophobicContact CD1-CG 3.67Å; F433-P437 HydrophobicContact CE1-CG 3.75Å; F433-P437 HydrophobicContact CG-CG 4.36Å; G435-P437 VanDerWaalsContact O-CD 3.29Å; G435-P437 WeakPolarHBondContact O-CD 3.39Å; P437-G439 PolarHBondContact O-N 3.22Å; P437-G439 VanDerWaalsContact O-N 3.15Å; P437-L440 WeakPolarHBondContact O-CB 3.48Å; P437-L440 PolarHBondContact O-N 3.43Å
438	Q	82.7	Confident	89.5	Confident	159 Å²	159	38.9 Å²	38.9	74%	0.743	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-59.2	-32.7	-177	-170.3	176.8	7.8	0	0	113	I436 L440 F441	I436-Q438 PolarHBondContact O-N 3.19Å; Q438-L440 PolarHBondContact O-N 2.82Å; Q438-F441 WeakPolarHBondContact O-CD2 3.09Å; Q438-F441 PolarHBondContact O-N 3.43Å
439	G	82.1	Confident	89.7	Confident	8 Å²	8	40.7 Å²	40.7	8%	0.082	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26.4	175.5	0	0	0	0	0	113.7	P437 F441 T442	P437-G439 PolarHBondContact O-N 3.22Å; P437-G439 VanDerWaalsContact O-N 3.15Å; G439-F441 VanDerWaalsContact C-N 3.33Å; G439-F441 PolarHBondContact O-N 2.94Å; G439-T442 WeakPolarHBondContact O-CB 3.28Å; G439-T442 PolarHBondContact O-N 2.65Å; G439-T442 PolarHBondContact O-OG1 2.97Å
440	L	88.3	Confident	89.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.9	-37.6	179	-169	66.4	0	0	0	112.1	L417 L426 I436 P437 Q438 T442 L443 L447 L450 L452 F475	L417-L440 HydrophobicContact CD2-CD1 4.48Å; L426-L440 HydrophobicContact CD2-CD1 3.42Å; L426-L440 VanDerWaalsContact CD2-CD1 3.42Å; I436-L440 HydrophobicContact CG2-CD2 3.84Å; P437-L440 WeakPolarHBondContact O-CB 3.48Å; P437-L440 PolarHBondContact O-N 3.43Å; Q438-L440 PolarHBondContact O-N 2.82Å; L440-T442 PolarHBondContact O-N 2.86Å; L440-L443 WeakPolarHBondContact O-CB 3.3Å; L440-L443 PolarHBondContact O-N 2.91Å; L440-L447 HydrophobicContact CD1-CD2 4.3Å; L440-L450 HydrophobicContact CD1-CD1 4.11Å; L440-L450 HydrophobicContact CD2-CD1 4.16Å; L440-L450 HydrophobicContact CD2-CD2 3.76Å; L440-L452 HydrophobicContact CD2-CD1 4.34Å; L440-F475 HydrophobicContact CB-CZ 4.31Å; L440-F475 HydrophobicContact CD2-CZ 4.07Å; L440-F475 HydrophobicContact CG-CE1 4.18Å; L440-F475 HydrophobicContact CG-CZ 3.69Å; L440-F475 WeakPolarHBondContact O-CE1 3.4Å
441	F	87.4	Confident	90.1	Very high	41 Å²	41	37.7 Å²	37.7	18%	0.18	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-65	-11.9	178.7	-59.7	-69.8	0	0	0	113.3	I436 Q438 G439 L443 H444 P468 F471 K474 F475	I436-F441 HydrophobicContact CB-CZ 4.28Å; I436-F441 HydrophobicContact CG2-CE1 4.42Å; I436-F441 HydrophobicContact CG2-CE2 4.01Å; I436-F441 HydrophobicContact CG2-CZ 3.71Å; Q438-F441 WeakPolarHBondContact O-CD2 3.09Å; Q438-F441 PolarHBondContact O-N 3.43Å; G439-F441 VanDerWaalsContact C-N 3.33Å; G439-F441 PolarHBondContact O-N 2.94Å; F441-L443 VanDerWaalsContact C-N 3.26Å; F441-H444 VanDerWaalsContact O-CB 3.24Å; F441-H444 WeakPolarHBondContact O-CB 3.44Å; F441-H444 PolarHBondContact O-N 3.11Å; F441-H444 PolarHBondContact O-ND1 3.21Å; F441-P468 HydrophobicContact CZ-CB 4.17Å; F441-P468 HydrophobicContact CZ-CG 4.06Å; F441-F471 HydrophobicContact CE1-CD2 4.03Å; F441-F471 HydrophobicContact CE1-CE2 4.46Å; F441-F471 HydrophobicContact CZ-CD2 4.43Å; F441-K474 HydrophobicContact CD1-CB 3.89Å; F441-K474 HydrophobicContact CD1-CG 3.87Å; F441-K474 HydrophobicContact CE1-CG 4.45Å; F441-F475 HydrophobicContact CD1-CD2 4.46Å; F441-F475 AromaticContact CD1-CE2 3.5Å; F441-F475 HydrophobicContact CD1-CE2 3.5Å; F441-F475 VanDerWaalsContact CD1-CE2 3.5Å; F441-F475 AromaticContact CD1-CZ 3.73Å; F441-F475 HydrophobicContact CD1-CZ 3.73Å; F441-F475 AromaticContact CE1-CE2 3.62Å; F441-F475 HydrophobicContact CE1-CE2 3.62Å; F441-F475 HydrophobicContact CE1-CZ 4.22Å; F441-F475 HydrophobicContact CG-CZ 4.38Å
442	T	85.4	Confident	90.2	Very high	64 Å²	64	37.5 Å²	37.5	39%	0.393	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-76.9	-18.5	175.4	71.8	0	0	0	0	112.3	T418 G439 L440 H444	T418-T442 WeakPolarHBondContact CA-OG1 3.41Å; T418-T442 VanDerWaalsContact CG2-CB 3.49Å; T418-T442 HydrophobicContact CG2-CG2 3.37Å; T418-T442 WeakPolarHBondContact CG2-OG1 3.47Å; G439-T442 WeakPolarHBondContact O-CB 3.28Å; G439-T442 PolarHBondContact O-N 2.65Å; G439-T442 PolarHBondContact O-OG1 2.97Å; L440-T442 PolarHBondContact O-N 2.86Å; T442-H444 VanDerWaalsContact C-N 3.27Å; T442-H444 PolarHBondContact O-N 3.16Å; T442-H444 PolarHBondContact O-ND1 3.47Å
443	L	88.8	Confident	90.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-88.9	11.7	174.4	-57.1	178.1	0	0	0	113.1	L417 L423 L426 L440 F441 N445 T446 L447	L417-L443 HydrophobicContact CD2-CD1 3.74Å; L417-L443 HydrophobicContact CG-CD1 4.02Å; L423-L443 HydrophobicContact CD2-CD1 3.8Å; L426-L443 HydrophobicContact CD2-CD1 4.24Å; L440-L443 WeakPolarHBondContact O-CB 3.3Å; L440-L443 PolarHBondContact O-N 2.91Å; F441-L443 VanDerWaalsContact C-N 3.26Å; L443-N445 PolarHBondContact O-N 3.16Å; L443-T446 PolarHBondContact O-N 3.12Å; L443-T446 PolarHBondContact O-OG1 2.82Å; L443-L447 HydrophobicContact CB-CB 4.31Å; L443-L447 HydrophobicContact CD1-CD1 4.42Å; L443-L447 PolarHBondContact O-N 2.9Å; L443-L447 VanDerWaalsContact O-N 3.09Å
444	H	86.8	Confident	90.6	Very high	67 Å²	67	38.6 Å²	38.6	31%	0.31	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-33	-176.2	61.1	-81.2	0	0	0	114.9	F441 T442 K474	F441-H444 VanDerWaalsContact O-CB 3.24Å; F441-H444 WeakPolarHBondContact O-CB 3.44Å; F441-H444 PolarHBondContact O-N 3.11Å; F441-H444 PolarHBondContact O-ND1 3.21Å; T442-H444 VanDerWaalsContact C-N 3.27Å; T442-H444 PolarHBondContact O-N 3.16Å; T442-H444 PolarHBondContact O-ND1 3.47Å; H444-K474 HydrophobicContact CB-CB 4.39Å; H444-K474 WeakPolarHBondContact CB-O 3.45Å
445	N	87.8	Confident	90.7	Very high	102 Å²	102	34.1 Å²	34.1	55%	0.545	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.9	-177.2	-69.1	-21.8	0	0	0	114.7	L443	L443-N445 PolarHBondContact O-N 3.16Å
446	T	91.8	Very high	90.6	Very high	32 Å²	32	39.9 Å²	39.9	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-29.1	-175.1	64.6	0	0	0	0	113.3	K421 L423 R424 L443	K421-T446 WeakPolarHBondContact O-CG2 3.39Å; L423-T446 CarbonylContact O-C 3.58Å; L423-T446 VanDerWaalsContact O-CB 3.24Å; L423-T446 WeakPolarHBondContact O-CB 2.93Å; L423-T446 PolarHBondContact O-OG1 3.46Å; R424-T446 WeakPolarHBondContact CA-O 3.23Å; L443-T446 PolarHBondContact O-N 3.12Å; L443-T446 PolarHBondContact O-OG1 2.82Å
447	L	94.3	Very high	90.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.			trans	-77.9	125.1	-172.3	-153.9	71.6	0	0	0	111.5	L423 R424 L426 L440 L443 L450 F475 M477 L478	L423-L447 HydrophobicContact CG-CD1 4.45Å; R424-L447 WeakPolarHBondContact O-CD1 3.47Å; L426-L447 HydrophobicContact CB-CD1 3.76Å; L426-L447 HydrophobicContact CB-CD2 4.44Å; L440-L447 HydrophobicContact CD1-CD2 4.3Å; L443-L447 HydrophobicContact CB-CB 4.31Å; L443-L447 HydrophobicContact CD1-CD1 4.42Å; L443-L447 PolarHBondContact O-N 2.9Å; L443-L447 VanDerWaalsContact O-N 3.09Å; L447-L450 HydrophobicContact CD2-CB 3.83Å; L447-L450 HydrophobicContact CD2-CD1 4.1Å; L447-L450 HydrophobicContact CD2-CD2 4.28Å; L447-L450 HydrophobicContact CD2-CG 4.29Å; L447-F475 HydrophobicContact CD2-CE1 4.44Å; L447-M477 CarbonylContact O-C 3.46Å; L447-M477 VanDerWaalsContact O-C 3.26Å; L447-M477 WeakPolarHBondContact O-CB 3.12Å; L447-L478 HydrophobicContact CB-CD2 4.32Å; L447-L478 HydrophobicContact CD2-CD2 4.24Å; L447-L478 HydrophobicContact CG-CD2 4.09Å; L447-L478 PolarHBondContact O-N 3.47Å
448	E	97.1	Very high	90.7	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.224	21%	0.211	C	C	.	.	S	Bend	trans	-109.3	-26.6	178.4	-64.7	-179.9	-136.8	0	0	111.7	R424 L478 K479 V480	R424-E448 WeakPolarHBondContact CD-OE1 3.36Å; R424-E448 IonicContact CZ-OE1 3.79Å; R424-E448 IonicContact NE-OE1 3.68Å; R424-E448 IonicContact NH1-OE1 3.5Å; R424-E448 PolarHBondContact NH1-OE1 3.14Å; R424-E448 PolarHBondContact O-N 3.29Å; E448-L478 VanDerWaalsContact C-CD2 3.46Å; E448-K479 PolarHBondContact O-N 3.48Å; E448-K479 IonicContact OE2-NZ 2.79Å; E448-K479 PolarHBondContact OE2-NZ 3.12Å; E448-V480 PolarHBondContact O-N 3.24Å
449	Y	97.9	Very high	90.7	Very high	39 Å²	39	36.7 Å²	36.7	15%	0.153	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.3	177.6	-171.3	-73.9	0	0	0	110.7	R424 E425 L426 Y427 D451 V480 K482	R424-Y449 PolarHBondContact O-N 3.32Å; E425-Y449 WeakPolarHBondContact CA-O 3.29Å; L426-Y449 PolarHBondContact N-O 3.2Å; Y427-Y449 HydrophobicContact CD1-CD1 4.31Å; Y427-Y449 AromaticContact CD1-CE1 3.59Å; Y427-Y449 HydrophobicContact CD1-CE1 3.59Å; Y427-Y449 AromaticContact CE1-CD1 3.86Å; Y427-Y449 HydrophobicContact CE1-CD1 3.86Å; Y427-Y449 AromaticContact CE1-CE1 3.14Å; Y427-Y449 HydrophobicContact CE1-CE1 3.14Å; Y427-Y449 HydrophobicContact CE1-CE2 4.5Å; Y427-Y449 AromaticContact CE1-CZ 3.53Å; Y427-Y449 HydrophobicContact CE2-CD1 4.22Å; Y427-Y449 HydrophobicContact CE2-CE1 4.31Å; Y427-Y449 HydrophobicContact CG-CE1 4.33Å; Y427-Y449 AromaticContact CZ-CD1 3.78Å; Y427-Y449 AromaticContact CZ-CE1 3.54Å; Y449-D451 HydrophobicContact CE1-CB 3.85Å; Y449-V480 WeakPolarHBondContact CA-O 3.36Å; Y449-V480 HydrophobicContact CD2-CB 3.43Å; Y449-V480 VanDerWaalsContact CD2-CB 3.43Å; Y449-V480 HydrophobicContact CD2-CG1 3.57Å; Y449-V480 HydrophobicContact CD2-CG2 3.87Å; Y449-V480 HydrophobicContact CE2-CB 3.84Å; Y449-V480 HydrophobicContact CE2-CG1 3.4Å; Y449-V480 VanDerWaalsContact CE2-CG1 3.4Å; Y449-V480 HydrophobicContact CE2-CG2 4.24Å; Y449-V480 HydrophobicContact CG-CB 4.09Å; Y449-V480 HydrophobicContact CG-CG1 4.31Å; Y449-K482 VanDerWaalsContact OH-CE 3.27Å; Y449-K482 WeakPolarHBondContact OH-CE 3.5Å; Y449-K482 PolarHBondContact OH-NZ 3.27Å; Y449-K482 VanDerWaalsContact OH-NZ 3.1Å
450	L	96.5	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.9	174.3	176.9	60.6	0	0	0	110.8	L426 L440 L447 L452 F471 L478 V480 L481 K482	L426-L450 HydrophobicContact CB-CD1 4.46Å; L426-L450 WeakPolarHBondContact O-CA 3.16Å; L440-L450 HydrophobicContact CD1-CD1 4.11Å; L440-L450 HydrophobicContact CD2-CD1 4.16Å; L440-L450 HydrophobicContact CD2-CD2 3.76Å; L447-L450 HydrophobicContact CD2-CB 3.83Å; L447-L450 HydrophobicContact CD2-CD1 4.1Å; L447-L450 HydrophobicContact CD2-CD2 4.28Å; L447-L450 HydrophobicContact CD2-CG 4.29Å; L450-L452 HydrophobicContact CD1-CD1 4.31Å; L450-L452 HydrophobicContact CD1-CD2 4.42Å; L450-L452 HydrophobicContact CD1-CG 3.96Å; L450-L452 HydrophobicContact CD2-CD1 3.87Å; L450-L452 HydrophobicContact CD2-CG 4.38Å; L450-L452 HydrophobicContact CG-CD1 4.11Å; L450-L452 HydrophobicContact CG-CG 4.07Å; L450-F471 HydrophobicContact CD2-CZ 4.23Å; L450-L478 HydrophobicContact CB-CD1 4.13Å; L450-L478 HydrophobicContact CB-CD2 3.8Å; L450-L478 HydrophobicContact CD2-CD1 4.25Å; L450-V480 PolarHBondContact N-O 3.15Å; L450-L481 HydrophobicContact CB-CD1 4.18Å; L450-L481 HydrophobicContact CD2-CD1 3.96Å; L450-L481 HydrophobicContact CG-CD1 4.16Å; L450-L481 WeakPolarHBondContact O-CA 3.35Å; L450-K482 PolarHBondContact O-N 3.39Å
451	D	97	Very high	90.1	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.6	170.6	-166.2	-13.3	0	0	0	110.9	L426 Y427 L428 S429 Y449 S453 K482	L426-D451 PolarHBondContact O-N 3.27Å; L426-D451 VanDerWaalsContact O-N 3.11Å; Y427-D451 HydrophobicContact CD1-CB 4.35Å; L428-D451 CarbonylContact C-O 3.48Å; L428-D451 WeakPolarHBondContact CA-O 3.15Å; L428-D451 WeakPolarHBondContact CB-O 3.38Å; L428-D451 PolarHBondContact N-O 3.16Å; S429-D451 PolarHBondContact N-O 3.4Å; Y449-D451 HydrophobicContact CE1-CB 3.85Å; D451-S453 WeakPolarHBondContact OD1-CB 3.23Å; D451-S453 PolarHBondContact OD1-N 3.33Å; D451-S453 PolarHBondContact OD1-OG 3.48Å; D451-K482 HydrophobicContact CB-CB 4.15Å; D451-K482 HydrophobicContact CB-CD 4.29Å; D451-K482 WeakPolarHBondContact OD1-CB 3.18Å; D451-K482 VanDerWaalsContact OD2-CD 3.28Å; D451-K482 WeakPolarHBondContact OD2-CD 3.29Å
452	L	95.7	Very high	89.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.286	C	S	.	.			trans	-115.8	12.2	175	-71.3	164.9	0	0	0	111.8	L428 I436 L440 L450 N455 K482 L483 M486	L428-L452 HydrophobicContact CB-CD2 3.91Å; L428-L452 HydrophobicContact CD1-CD2 3.89Å; I436-L452 HydrophobicContact CD1-CD1 3.63Å; L440-L452 HydrophobicContact CD2-CD1 4.34Å; L450-L452 HydrophobicContact CD1-CD1 4.31Å; L450-L452 HydrophobicContact CD1-CD2 4.42Å; L450-L452 HydrophobicContact CD1-CG 3.96Å; L450-L452 HydrophobicContact CD2-CD1 3.87Å; L450-L452 HydrophobicContact CD2-CG 4.38Å; L450-L452 HydrophobicContact CG-CD1 4.11Å; L450-L452 HydrophobicContact CG-CG 4.07Å; L452-N455 WeakPolarHBondContact O-CB 3.2Å; L452-N455 PolarHBondContact O-N 3.19Å; L452-N455 PolarHBondContact O-ND2 3.08Å; L452-K482 PolarHBondContact N-O 3.05Å; L452-L483 HydrophobicContact CB-CD2 4.08Å; L452-L483 HydrophobicContact CD1-CD2 4Å; L452-M486 HydrophobicContact CB-CE 3.96Å; L452-M486 HydrophobicContact CB-SD 3.75Å
453	S	96.2	Very high	89.4	Confident	8 Å²	8	60.8 Å²	60.8	6%	0.056	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	151.8	-174.1	-52.8	0	0	0	0	112	S429 K430 D451 N455 K482 S484	S429-S453 CarbonylContact C-O 3.48Å; S429-S453 WeakPolarHBondContact CA-O 3.12Å; S429-S453 WeakPolarHBondContact CB-O 3.31Å; K430-S453 PolarHBondContact N-O 3.08Å; D451-S453 WeakPolarHBondContact OD1-CB 3.23Å; D451-S453 PolarHBondContact OD1-N 3.33Å; D451-S453 PolarHBondContact OD1-OG 3.48Å; S453-N455 PolarHBondContact O-N 2.82Å; S453-N455 PolarHBondContact O-ND2 3.3Å; S453-K482 WeakPolarHBondContact OG-CB 3.42Å; S453-S484 CarbonylContact C-O 3.45Å; S453-S484 WeakPolarHBondContact CA-O 3.24Å; S453-S484 WeakPolarHBondContact CB-O 3.2Å; S453-S484 PolarHBondContact OG-N 3.1Å
454	D	94.9	Very high	89.1	Confident	51 Å²	51	61.4 Å²	61.4	27%	0.273	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	32.1	-178.8	-62.7	-54.3	0	0	0	114.1	K430 S484 S485	K430-D454 HydrophobicContact CB-CB 4.24Å; K430-D454 VanDerWaalsContact CE-OD2 3.26Å; K430-D454 WeakPolarHBondContact CE-OD2 3.45Å; K430-D454 HydrophobicContact CG-CB 3.57Å; K430-D454 WeakPolarHBondContact CG-OD2 3.23Å; D454-S484 PolarHBondContact N-O 2.7Å; D454-S485 WeakPolarHBondContact OD1-CB 3.42Å; D454-S485 PolarHBondContact OD1-OG 3.48Å
455	N	92.8	Very high	89.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.			trans	-107.1	128.8	164.8	-76.7	-80.9	0	0	0	110.4	L428 N431 Y432 F433 L452 S453 L457 M486	L428-N455 PolarHBondContact O-ND2 2.69Å; N431-N455 VanDerWaalsContact CA-OD1 3.27Å; N431-N455 WeakPolarHBondContact CA-OD1 3.36Å; N431-N455 WeakPolarHBondContact CB-OD1 3.47Å; N431-N455 PolarHBondContact N-OD1 2.8Å; N431-N455 PolarHBondContact O-OD1 2.74Å; Y432-N455 PolarHBondContact N-OD1 2.88Å; F433-N455 HydrophobicContact CB-CB 4.12Å; F433-N455 WeakPolarHBondContact CB-OD1 3.28Å; F433-N455 WeakPolarHBondContact CD2-OD1 3.42Å; F433-N455 PolarHBondContact N-OD1 3.33Å; L452-N455 WeakPolarHBondContact O-CB 3.2Å; L452-N455 PolarHBondContact O-N 3.19Å; L452-N455 PolarHBondContact O-ND2 3.08Å; S453-N455 PolarHBondContact O-N 2.82Å; S453-N455 PolarHBondContact O-ND2 3.3Å; N455-L457 PolarHBondContact O-N 2.84Å; N455-M486 WeakPolarHBondContact O-CA 3.19Å
456	K	86.3	Confident	89.2	Confident	159 Å²	159	55.2 Å²	55.2	69%	0.691	28%	0.278	S	S	*	.			trans	-90.4	94.4	-176.4	-64	-174.2	-178.9	-176.6	0	110.9	F433 R434	F433-K456 CarbonylContact O-C 3.26Å; R434-K456 WeakPolarHBondContact CA-O 3.26Å
457	L	88.9	Confident	89.2	Confident	9 Å²	9	54 Å²	54	5%	0.047	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.2	141.9	174.4	-60.5	-171.9	0	0	0	111.1	R434 I436 N455 V465 M486 L488	R434-L457 WeakPolarHBondContact O-CA 3.45Å; I436-L457 HydrophobicContact CD1-CD1 4.37Å; I436-L457 HydrophobicContact CD1-CD2 4.38Å; N455-L457 PolarHBondContact O-N 2.84Å; L457-V465 HydrophobicContact CB-CG1 3.52Å; L457-M486 HydrophobicContact CD1-CE 3.54Å; L457-M486 HydrophobicContact CD2-CE 3.84Å; L457-M486 HydrophobicContact CG-CE 3.58Å; L457-M486 PolarHBondContact N-O 3.14Å; L457-L488 HydrophobicContact CD1-CD2 4.14Å
458	D	86.8	Confident	89	Confident	81 Å²	81	56.2 Å²	56.2	43%	0.433	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-71.3	147.4	172.5	-79.9	-22.3	0	0	0	110.5	R434	R434-D458 HydrophobicContact CB-CB 4.47Å; R434-D458 WeakPolarHBondContact CB-OD2 3.23Å; R434-D458 IonicContact CZ-OD1 3.17Å; R434-D458 IonicContact CZ-OD2 2.72Å; R434-D458 VanDerWaalsContact NE-CG 3.25Å; R434-D458 IonicContact NE-OD1 2.89Å; R434-D458 PolarHBondContact NE-OD1 3.22Å; R434-D458 IonicContact NE-OD2 3.48Å; R434-D458 PolarHBondContact NE-OD2 2.98Å; R434-D458 IonicContact NH2-OD1 2.81Å; R434-D458 PolarHBondContact NH2-OD1 3.06Å; R434-D458 IonicContact NH2-OD2 2.62Å; R434-D458 PolarHBondContact NH2-OD2 2.89Å; R434-D458 PolarHBondContact O-N 3.02Å
459	G	82.3	Confident	88.5	Confident	43 Å²	43	61.5 Å²	61.5	44%	0.443	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-83.9	156.7	172.7	0	0	0	0	0	112	S464	G459-S464 CarbonylContact C-O 3.33Å; G459-S464 WeakPolarHBondContact CA-O 3.42Å
460	E	79.8	Confident	88	Confident	125 Å²	125	64.7 Å²	64.7	58%	0.584	33%	0.327	S	S	*	.			trans	-70.7	175.4	165.2	-62.1	-67.9	170.3	0	0	110.5	D462 K463 S464	E460-D462 WeakPolarHBondContact CB-OD1 3.19Å; E460-D462 PolarHBondContact O-N 3.29Å; E460-K463 WeakPolarHBondContact O-CA 3.01Å; E460-K463 PolarHBondContact O-N 3.23Å; E460-S464 PolarHBondContact N-O 2.86Å
461	E	77.1	Confident	87.8	Confident	201 Å²	201	64.7 Å²	64.7	94%	0.939	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.3	-179.8	-65.5	-174.7	169.6	0	0	113.4	K463	E461-K463 PolarHBondContact O-N 3.2Å
462	D	80.2	Confident	87.6	Confident	116 Å²	116	64.1 Å²	64.1	62%	0.62	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	6.3	176.2	69.8	-4.6	0	0	0	113.5	E460 S464	E460-D462 WeakPolarHBondContact CB-OD1 3.19Å; E460-D462 PolarHBondContact O-N 3.29Å; D462-S464 PolarHBondContact O-N 3.34Å; D462-S464 WeakPolarHBondContact OD1-CB 3.08Å; D462-S464 PolarHBondContact OD1-N 2.92Å; D462-S464 PolarHBondContact OD1-OG 3.35Å; D462-S464 PolarHBondContact OD2-OG 2.99Å
463	K	79.6	Confident	87.4	Confident	177 Å²	177	66 Å²	66	77%	0.77	34%	0.34	S	S	*	.	S	Bend	trans	66.5	8.3	-174.4	-51.7	175.7	179.7	175	0	114.3	E460 E461	E460-K463 WeakPolarHBondContact O-CA 3.01Å; E460-K463 PolarHBondContact O-N 3.23Å; E461-K463 PolarHBondContact O-N 3.2Å
464	S	82.4	Confident	87.2	Confident	17 Å²	17	70.6 Å²	70.6	12%	0.119	36%	0.358	C	S	.	.			trans	-71.9	140.4	171.1	71.2	0	0	0	0	110	G459 E460 D462 L466 T489	G459-S464 CarbonylContact C-O 3.33Å; G459-S464 WeakPolarHBondContact CA-O 3.42Å; E460-S464 PolarHBondContact N-O 2.86Å; D462-S464 PolarHBondContact O-N 3.34Å; D462-S464 WeakPolarHBondContact OD1-CB 3.08Å; D462-S464 PolarHBondContact OD1-N 2.92Å; D462-S464 PolarHBondContact OD1-OG 3.35Å; D462-S464 PolarHBondContact OD2-OG 2.99Å; S464-L466 WeakPolarHBondContact OG-CD1 3.23Å; S464-T489 WeakPolarHBondContact CA-OG1 3.35Å
465	V	87	Confident	87.1	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.018	35%	0.345	C	S	.	.			trans	-116.8	111.8	175.1	-177.6	0	0	0	0	106.5	L457 N487 L488 T489	L457-V465 HydrophobicContact CB-CG1 3.52Å; V465-N487 WeakPolarHBondContact CB-O 3.14Å; V465-N487 WeakPolarHBondContact CG2-O 3.33Å; V465-L488 HydrophobicContact CG1-CD2 4.36Å; V465-T489 HydrophobicContact CB-CG2 4.32Å; V465-T489 HydrophobicContact CG2-CG2 4.27Å; V465-T489 PolarHBondContact N-OG1 3.23Å; V465-T489 PolarHBondContact O-N 3.01Å; V465-T489 VanDerWaalsContact O-N 3.14Å
466	L	88.7	Confident	87.1	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.183	37%	0.365	C	S	.	.			trans	-124.8	152.4	-166.4	-56.6	175.6	0	0	0	110.7	S464 C490 Q492	S464-L466 WeakPolarHBondContact OG-CD1 3.23Å; L466-C490 HydrophobicContact CD2-CB 3.75Å; L466-C490 WeakPolarHBondContact CD2-O 3.48Å; L466-Q492 HydrophobicContact CD1-CG 4.2Å; L466-Q492 HydrophobicContact CD2-CG 4.26Å
467	L	91.2	Very high	87.4	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-71.4	149.8	161.7	-66.2	175.5	0	0	0	109.7	I436 F471 L483 L488 L491 V495 L496	I436-L467 HydrophobicContact CD1-CD2 4.34Å; I436-L467 HydrophobicContact CG1-CD2 4.5Å; L467-F471 HydrophobicContact CB-CB 4.35Å; L467-F471 HydrophobicContact CB-CG 4.45Å; L467-F471 HydrophobicContact CD1-CD1 4.22Å; L467-F471 HydrophobicContact CD1-CG 4.36Å; L467-L483 HydrophobicContact CD1-CD1 3.72Å; L467-L483 HydrophobicContact CD2-CD1 4.15Å; L467-L483 HydrophobicContact CD2-CD2 4.48Å; L467-L483 HydrophobicContact CG-CD1 4.45Å; L467-L488 HydrophobicContact CD2-CD2 4.31Å; L467-L488 HydrophobicContact CG-CD2 4.22Å; L467-L491 HydrophobicContact CD1-CD2 4.17Å; L467-V495 HydrophobicContact CB-CG2 3.93Å; L467-L496 HydrophobicContact CD1-CD2 3.95Å
468	P	89.9	Confident	87.8	Confident	48 Å²	48	68.4 Å²	68.4	31%	0.312	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-54.4	147.4	172.8	-28	37.7	0	0	0	112.1	I436 F441 F471 V495	I436-P468 HydrophobicContact CB-CG 4.1Å; I436-P468 HydrophobicContact CG1-CG 3.99Å; F441-P468 HydrophobicContact CZ-CB 4.17Å; F441-P468 HydrophobicContact CZ-CG 4.06Å; P468-F471 WeakPolarHBondContact O-CB 3.42Å; P468-F471 PolarHBondContact O-N 3.33Å; P468-V495 WeakPolarHBondContact O-CG2 3.47Å
469	K	87.4	Confident	88.3	Confident	159 Å²	159	68.4 Å²	68.4	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	145.3	172	-67.2	-178.3	-179.3	177.6	0	110.1	F471	K469-F471 PolarHBondContact O-N 3.47Å
470	D	86.9	Confident	89	Confident	106 Å²	106	67.5 Å²	67.5	57%	0.567	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	18	180	-49.4	-39.2	0	0	0	114.8	G472 A473 K474	D470-G472 VanDerWaalsContact C-N 3.3Å; D470-G472 PolarHBondContact O-N 3.36Å; D470-A473 HydrophobicContact CB-CB 4.16Å; D470-A473 PolarHBondContact O-N 3.45Å; D470-K474 WeakPolarHBondContact O-CG 3.46Å; D470-K474 PolarHBondContact O-N 3.24Å
471	F	92.6	Very high	89.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-50.1	-50.7	179.8	-175.3	-89.2	0	0	0	111.8	I436 F441 L450 L467 P468 K469 A473 K474 F475 L481 V495 L496	I436-F471 HydrophobicContact CD1-CE2 4.42Å; I436-F471 HydrophobicContact CG1-CE2 4.28Å; I436-F471 HydrophobicContact CG2-CE2 4.16Å; F441-F471 HydrophobicContact CE1-CD2 4.03Å; F441-F471 HydrophobicContact CE1-CE2 4.46Å; F441-F471 HydrophobicContact CZ-CD2 4.43Å; L450-F471 HydrophobicContact CD2-CZ 4.23Å; L467-F471 HydrophobicContact CB-CB 4.35Å; L467-F471 HydrophobicContact CB-CG 4.45Å; L467-F471 HydrophobicContact CD1-CD1 4.22Å; L467-F471 HydrophobicContact CD1-CG 4.36Å; P468-F471 WeakPolarHBondContact O-CB 3.42Å; P468-F471 PolarHBondContact O-N 3.33Å; K469-F471 PolarHBondContact O-N 3.47Å; F471-A473 VanDerWaalsContact C-N 3.35Å; F471-A473 PolarHBondContact O-N 3.07Å; F471-K474 PolarHBondContact O-N 3.2Å; F471-F475 HydrophobicContact CD1-CD2 4.24Å; F471-F475 HydrophobicContact CD2-CD2 4.28Å; F471-F475 HydrophobicContact CD2-CE2 4.13Å; F471-F475 AromaticContact CE1-CD2 3.93Å; F471-F475 HydrophobicContact CE1-CD2 3.93Å; F471-F475 HydrophobicContact CE1-CE2 4.47Å; F471-F475 HydrophobicContact CE2-CD2 4Å; F471-F475 AromaticContact CE2-CE2 3.72Å; F471-F475 HydrophobicContact CE2-CE2 3.72Å; F471-F475 HydrophobicContact CG-CD2 4.4Å; F471-F475 AromaticContact CZ-CD2 3.82Å; F471-F475 HydrophobicContact CZ-CD2 3.82Å; F471-F475 AromaticContact CZ-CE2 3.91Å; F471-F475 HydrophobicContact CZ-CE2 3.91Å; F471-F475 WeakPolarHBondContact O-CD2 3.49Å; F471-F475 PolarHBondContact O-N 3.34Å; F471-F475 VanDerWaalsContact O-N 3.12Å; F471-L481 HydrophobicContact CD1-CD2 4.46Å; F471-L481 HydrophobicContact CE1-CD1 4.2Å; F471-L481 HydrophobicContact CE1-CD2 3.66Å; F471-L481 HydrophobicContact CZ-CD1 4.28Å; F471-L481 HydrophobicContact CZ-CD2 4.49Å; F471-V495 HydrophobicContact CB-CG2 4.26Å; F471-L496 HydrophobicContact CD1-CD2 4.2Å
472	G	92.8	Very high	90.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.6	-31.9	178.3	0	0	0	0	0	114.2	D470 K474 F475 V495 C497 G498 M499	D470-G472 VanDerWaalsContact C-N 3.3Å; D470-G472 PolarHBondContact O-N 3.36Å; G472-K474 VanDerWaalsContact C-N 3.27Å; G472-K474 PolarHBondContact O-N 3.4Å; G472-F475 CarbonylContact O-C 3.59Å; G472-F475 PolarHBondContact O-N 3.22Å; G472-V495 PolarHBondContact N-O 3.39Å; G472-C497 CarbonylContact C-O 3.6Å; G472-G498 CarbonylContact O-C 3.43Å; G472-M499 WeakPolarHBondContact O-CG 3.28Å
473	A	91.8	Very high	91.6	Very high	43 Å²	43	49.2 Å²	49.2	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-72.9	-25.3	179.8	0	0	0	0	0	111.7	D470 F471 Q476 C497	D470-A473 HydrophobicContact CB-CB 4.16Å; D470-A473 PolarHBondContact O-N 3.45Å; F471-A473 VanDerWaalsContact C-N 3.35Å; F471-A473 PolarHBondContact O-N 3.07Å; A473-Q476 WeakPolarHBondContact O-CG 3.39Å; A473-Q476 PolarHBondContact O-NE2 3.46Å; A473-C497 WeakPolarHBondContact CA-O 3.49Å; A473-C497 PolarHBondContact N-O 3.21Å
474	K	91.3	Very high	92.3	Very high	103 Å²	103	41.2 Å²	41.2	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-72.8	-56.6	167.4	-61.2	-61.7	-179.2	-174.7	0	109.7	F441 H444 D470 F471 G472 Q476	F441-K474 HydrophobicContact CD1-CB 3.89Å; F441-K474 HydrophobicContact CD1-CG 3.87Å; F441-K474 HydrophobicContact CE1-CG 4.45Å; H444-K474 HydrophobicContact CB-CB 4.39Å; H444-K474 WeakPolarHBondContact CB-O 3.45Å; D470-K474 WeakPolarHBondContact O-CG 3.46Å; D470-K474 PolarHBondContact O-N 3.24Å; F471-K474 PolarHBondContact O-N 3.2Å; G472-K474 VanDerWaalsContact C-N 3.27Å; G472-K474 PolarHBondContact O-N 3.4Å; K474-Q476 PolarHBondContact O-N 3.49Å
475	F	93	Very high	92.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.			trans	-89.2	62.2	-171.8	-63.6	-72.2	0	0	0	114.7	L440 F441 L447 F471 G472 M477 L478	L440-F475 HydrophobicContact CB-CZ 4.31Å; L440-F475 HydrophobicContact CD2-CZ 4.07Å; L440-F475 HydrophobicContact CG-CE1 4.18Å; L440-F475 HydrophobicContact CG-CZ 3.69Å; L440-F475 WeakPolarHBondContact O-CE1 3.4Å; F441-F475 HydrophobicContact CD1-CD2 4.46Å; F441-F475 AromaticContact CD1-CE2 3.5Å; F441-F475 HydrophobicContact CD1-CE2 3.5Å; F441-F475 VanDerWaalsContact CD1-CE2 3.5Å; F441-F475 AromaticContact CD1-CZ 3.73Å; F441-F475 HydrophobicContact CD1-CZ 3.73Å; F441-F475 AromaticContact CE1-CE2 3.62Å; F441-F475 HydrophobicContact CE1-CE2 3.62Å; F441-F475 HydrophobicContact CE1-CZ 4.22Å; F441-F475 HydrophobicContact CG-CZ 4.38Å; L447-F475 HydrophobicContact CD2-CE1 4.44Å; F471-F475 HydrophobicContact CD1-CD2 4.24Å; F471-F475 HydrophobicContact CD2-CD2 4.28Å; F471-F475 HydrophobicContact CD2-CE2 4.13Å; F471-F475 AromaticContact CE1-CD2 3.93Å; F471-F475 HydrophobicContact CE1-CD2 3.93Å; F471-F475 HydrophobicContact CE1-CE2 4.47Å; F471-F475 HydrophobicContact CE2-CD2 4Å; F471-F475 AromaticContact CE2-CE2 3.72Å; F471-F475 HydrophobicContact CE2-CE2 3.72Å; F471-F475 HydrophobicContact CG-CD2 4.4Å; F471-F475 AromaticContact CZ-CD2 3.82Å; F471-F475 HydrophobicContact CZ-CD2 3.82Å; F471-F475 AromaticContact CZ-CE2 3.91Å; F471-F475 HydrophobicContact CZ-CE2 3.91Å; F471-F475 WeakPolarHBondContact O-CD2 3.49Å; F471-F475 PolarHBondContact O-N 3.34Å; F471-F475 VanDerWaalsContact O-N 3.12Å; G472-F475 CarbonylContact O-C 3.59Å; G472-F475 PolarHBondContact O-N 3.22Å; F475-M477 VanDerWaalsContact C-N 3.26Å; F475-M477 PolarHBondContact O-N 3.49Å; F475-L478 HydrophobicContact CB-CB 4.37Å; F475-L478 HydrophobicContact CB-CD1 3.46Å; F475-L478 VanDerWaalsContact CB-CD1 3.46Å; F475-L478 HydrophobicContact CB-CG 3.78Å; F475-L478 HydrophobicContact CD1-CD1 4.29Å; F475-L478 HydrophobicContact CD2-CD1 4.49Å; F475-L478 HydrophobicContact CG-CD1 3.86Å; F475-L478 HydrophobicContact CG-CG 4.4Å; F475-L478 PolarHBondContact O-N 3.39Å
476	Q	92.4	Very high	93.2	Very high	87 Å²	87	42.1 Å²	42.1	41%	0.407	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.1	-174.9	-59.2	-179.1	7.4	0	0	114	A473 K474	A473-Q476 WeakPolarHBondContact O-CG 3.39Å; A473-Q476 PolarHBondContact O-NE2 3.46Å; K474-Q476 PolarHBondContact O-N 3.49Å
477	M	93.7	Very high	93.3	Very high	86 Å²	86	43.7 Å²	43.7	42%	0.424	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.7	-178.3	-61.2	-62.6	108.3	0	0	113.5	L447 F475 K479	L447-M477 CarbonylContact O-C 3.46Å; L447-M477 VanDerWaalsContact O-C 3.26Å; L447-M477 WeakPolarHBondContact O-CB 3.12Å; F475-M477 VanDerWaalsContact C-N 3.26Å; F475-M477 PolarHBondContact O-N 3.49Å; M477-K479 PolarHBondContact O-N 3.27Å
478	L	96	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.			trans	-65.9	125.5	-178.6	-82.9	-179.4	0	0	0	111	L447 E448 L450 F475 L481 M499 G501 L502	L447-L478 HydrophobicContact CB-CD2 4.32Å; L447-L478 HydrophobicContact CD2-CD2 4.24Å; L447-L478 HydrophobicContact CG-CD2 4.09Å; L447-L478 PolarHBondContact O-N 3.47Å; E448-L478 VanDerWaalsContact C-CD2 3.46Å; L450-L478 HydrophobicContact CB-CD1 4.13Å; L450-L478 HydrophobicContact CB-CD2 3.8Å; L450-L478 HydrophobicContact CD2-CD1 4.25Å; F475-L478 HydrophobicContact CB-CB 4.37Å; F475-L478 HydrophobicContact CB-CD1 3.46Å; F475-L478 VanDerWaalsContact CB-CD1 3.46Å; F475-L478 HydrophobicContact CB-CG 3.78Å; F475-L478 HydrophobicContact CD1-CD1 4.29Å; F475-L478 HydrophobicContact CD2-CD1 4.49Å; F475-L478 HydrophobicContact CG-CD1 3.86Å; F475-L478 HydrophobicContact CG-CG 4.4Å; F475-L478 PolarHBondContact O-N 3.39Å; L478-L481 HydrophobicContact CD1-CB 4.48Å; L478-L481 HydrophobicContact CD1-CD1 4.17Å; L478-M499 HydrophobicContact CB-CE 3.66Å; L478-M499 HydrophobicContact CD1-CE 3.85Å; L478-M499 HydrophobicContact CG-CE 4.41Å; L478-G501 CarbonylContact O-C 3.53Å; L478-L502 WeakPolarHBondContact O-CA 3.43Å; L478-L502 PolarHBondContact O-N 3.25Å
479	K	97.4	Very high	93.4	Very high	81 Å²	81	43 Å²	43	35%	0.352	22%	0.218	S	C	.	.	S	Bend	trans	-98.9	-32.4	169.4	-63.4	175.7	-178.4	157.9	0	111.5	E448 M477 G501 E503 L504	E448-K479 PolarHBondContact O-N 3.48Å; E448-K479 IonicContact OE2-NZ 2.79Å; E448-K479 PolarHBondContact OE2-NZ 3.12Å; M477-K479 PolarHBondContact O-N 3.27Å; K479-G501 WeakPolarHBondContact CA-O 3.22Å; K479-E503 HydrophobicContact CB-CG 4.41Å; K479-E503 WeakPolarHBondContact O-CA 3.41Å; K479-E503 PolarHBondContact O-N 3.5Å; K479-L504 PolarHBondContact O-N 2.64Å
480	V	98.2	Very high	93.4	Very high	24 Å²	24	37.7 Å²	37.7	15%	0.145	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.6	179.2	-179.6	0	0	0	0	109.8	E448 Y449 L450 K482 L504	E448-V480 PolarHBondContact O-N 3.24Å; Y449-V480 WeakPolarHBondContact CA-O 3.36Å; Y449-V480 HydrophobicContact CD2-CB 3.43Å; Y449-V480 VanDerWaalsContact CD2-CB 3.43Å; Y449-V480 HydrophobicContact CD2-CG1 3.57Å; Y449-V480 HydrophobicContact CD2-CG2 3.87Å; Y449-V480 HydrophobicContact CE2-CB 3.84Å; Y449-V480 HydrophobicContact CE2-CG1 3.4Å; Y449-V480 VanDerWaalsContact CE2-CG1 3.4Å; Y449-V480 HydrophobicContact CE2-CG2 4.24Å; Y449-V480 HydrophobicContact CG-CB 4.09Å; Y449-V480 HydrophobicContact CG-CG1 4.31Å; L450-V480 PolarHBondContact N-O 3.15Å; V480-K482 HydrophobicContact CG1-CG 4.22Å; V480-L504 WeakPolarHBondContact CA-O 3.44Å; V480-L504 HydrophobicContact CG1-CB 4.19Å; V480-L504 HydrophobicContact CG1-CD2 3.89Å; V480-L504 HydrophobicContact CG2-CB 4.17Å
481	L	97.4	Very high	93.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116	174.4	177.9	59.5	0	0	0	109.5	L450 F471 L478 L483 L496 M499 L502 L504 L505 D506	L450-L481 HydrophobicContact CB-CD1 4.18Å; L450-L481 HydrophobicContact CD2-CD1 3.96Å; L450-L481 HydrophobicContact CG-CD1 4.16Å; L450-L481 WeakPolarHBondContact O-CA 3.35Å; F471-L481 HydrophobicContact CD1-CD2 4.46Å; F471-L481 HydrophobicContact CE1-CD1 4.2Å; F471-L481 HydrophobicContact CE1-CD2 3.66Å; F471-L481 HydrophobicContact CZ-CD1 4.28Å; F471-L481 HydrophobicContact CZ-CD2 4.49Å; L478-L481 HydrophobicContact CD1-CB 4.48Å; L478-L481 HydrophobicContact CD1-CD1 4.17Å; L481-L483 HydrophobicContact CD1-CD1 4.36Å; L481-L483 HydrophobicContact CD1-CD2 3.86Å; L481-L483 HydrophobicContact CD1-CG 3.96Å; L481-L483 HydrophobicContact CD2-CD1 3.87Å; L481-L483 HydrophobicContact CD2-CG 4.3Å; L481-L483 HydrophobicContact CG-CD1 4.01Å; L481-L483 HydrophobicContact CG-CD2 4.34Å; L481-L483 HydrophobicContact CG-CG 3.88Å; L481-L496 HydrophobicContact CD2-CD2 4.45Å; L481-M499 HydrophobicContact CB-CE 4.06Å; L481-M499 HydrophobicContact CD2-CE 3.6Å; L481-M499 HydrophobicContact CD2-SD 4.16Å; L481-M499 HydrophobicContact CG-CE 4.44Å; L481-L502 HydrophobicContact CB-CD1 3.98Å; L481-L504 PolarHBondContact N-O 2.8Å; L481-L505 HydrophobicContact CB-CD1 4.19Å; L481-L505 HydrophobicContact CD2-CD1 3.94Å; L481-L505 HydrophobicContact CG-CD1 4.08Å; L481-L505 WeakPolarHBondContact O-CA 3.46Å; L481-D506 PolarHBondContact O-N 2.93Å
482	K	97.5	Very high	93.2	Very high	58 Å²	58	38.6 Å²	38.6	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.1	175.1	-61.3	-179	171.4	-176.7	0	110.7	Y449 L450 D451 L452 S453 V480 L504 D506	Y449-K482 VanDerWaalsContact OH-CE 3.27Å; Y449-K482 WeakPolarHBondContact OH-CE 3.5Å; Y449-K482 PolarHBondContact OH-NZ 3.27Å; Y449-K482 VanDerWaalsContact OH-NZ 3.1Å; L450-K482 PolarHBondContact O-N 3.39Å; D451-K482 HydrophobicContact CB-CB 4.15Å; D451-K482 HydrophobicContact CB-CD 4.29Å; D451-K482 WeakPolarHBondContact OD1-CB 3.18Å; D451-K482 VanDerWaalsContact OD2-CD 3.28Å; D451-K482 WeakPolarHBondContact OD2-CD 3.29Å; L452-K482 PolarHBondContact N-O 3.05Å; S453-K482 WeakPolarHBondContact OG-CB 3.42Å; V480-K482 HydrophobicContact CG1-CG 4.22Å; K482-L504 HydrophobicContact CG-CD2 4.13Å; K482-D506 HydrophobicContact CB-CB 4.24Å; K482-D506 HydrophobicContact CG-CB 4.04Å
483	L	95.5	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.			trans	-131.2	28.2	-177.6	-59.7	174.5	0	0	0	110.6	L452 L467 L481 M486 L488 D506 L507 N510	L452-L483 HydrophobicContact CB-CD2 4.08Å; L452-L483 HydrophobicContact CD1-CD2 4Å; L467-L483 HydrophobicContact CD1-CD1 3.72Å; L467-L483 HydrophobicContact CD2-CD1 4.15Å; L467-L483 HydrophobicContact CD2-CD2 4.48Å; L467-L483 HydrophobicContact CG-CD1 4.45Å; L481-L483 HydrophobicContact CD1-CD1 4.36Å; L481-L483 HydrophobicContact CD1-CD2 3.86Å; L481-L483 HydrophobicContact CD1-CG 3.96Å; L481-L483 HydrophobicContact CD2-CD1 3.87Å; L481-L483 HydrophobicContact CD2-CG 4.3Å; L481-L483 HydrophobicContact CG-CD1 4.01Å; L481-L483 HydrophobicContact CG-CD2 4.34Å; L481-L483 HydrophobicContact CG-CG 3.88Å; L483-M486 WeakPolarHBondContact CA-SD 3.26Å; L483-M486 HydrophobicContact CB-CG 4.41Å; L483-M486 HydrophobicContact CB-SD 3.53Å; L483-M486 VanDerWaalsContact CB-SD 3.53Å; L483-M486 HydrophobicContact CD2-CE 4.11Å; L483-M486 HydrophobicContact CD2-SD 3.27Å; L483-M486 WeakPolarHBondContact CD2-SD 3.19Å; L483-M486 HydrophobicContact CG-SD 3.97Å; L483-M486 WeakPolarHBondContact O-CG 3.28Å; L483-L488 HydrophobicContact CB-CD1 4.27Å; L483-L488 HydrophobicContact CD1-CD1 4.31Å; L483-D506 CarbonylContact C-O 3.12Å; L483-D506 WeakPolarHBondContact CA-O 3.48Å; L483-D506 PolarHBondContact N-O 3.33Å; L483-L507 HydrophobicContact CB-CD2 4.14Å; L483-L507 HydrophobicContact CD1-CD2 4.08Å; L483-N510 PolarHBondContact O-ND2 2.94Å
484	S	95.5	Very high	93	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.07	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	144.1	-177.2	-175.4	0	0	0	0	110.8	S453 D454 M486 D506 S508	S453-S484 CarbonylContact C-O 3.45Å; S453-S484 WeakPolarHBondContact CA-O 3.24Å; S453-S484 WeakPolarHBondContact CB-O 3.2Å; S453-S484 PolarHBondContact OG-N 3.1Å; D454-S484 PolarHBondContact N-O 2.7Å; S484-M486 PolarHBondContact O-N 3.21Å; S484-M486 VanDerWaalsContact O-N 3.16Å; S484-D506 PolarHBondContact N-O 3Å; S484-S508 CarbonylContact C-O 3.54Å; S484-S508 WeakPolarHBondContact CA-O 3.43Å; S484-S508 WeakPolarHBondContact CB-OG 3.49Å; S484-S508 PolarHBondContact OG-O 3.05Å; S484-S508 PolarHBondContact OG-OG 2.95Å
485	S	94.7	Very high	93.1	Very high	37 Å²	37	42 Å²	42	26%	0.259	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	33.1	170.9	-165.9	0	0	0	0	113.7	D454 S508	D454-S485 WeakPolarHBondContact OD1-CB 3.42Å; D454-S485 PolarHBondContact OD1-OG 3.48Å; S485-S508 PolarHBondContact N-O 3.16Å
486	M	92.3	Very high	93.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-92.5	2.8	-177.3	-73.5	-170.7	69.8	0	0	115.1	I436 L452 N455 L457 L483 S484 L488 N510	I436-M486 HydrophobicContact CD1-CE 4.19Å; L452-M486 HydrophobicContact CB-CE 3.96Å; L452-M486 HydrophobicContact CB-SD 3.75Å; N455-M486 WeakPolarHBondContact O-CA 3.19Å; L457-M486 HydrophobicContact CD1-CE 3.54Å; L457-M486 HydrophobicContact CD2-CE 3.84Å; L457-M486 HydrophobicContact CG-CE 3.58Å; L457-M486 PolarHBondContact N-O 3.14Å; L483-M486 WeakPolarHBondContact CA-SD 3.26Å; L483-M486 HydrophobicContact CB-CG 4.41Å; L483-M486 HydrophobicContact CB-SD 3.53Å; L483-M486 VanDerWaalsContact CB-SD 3.53Å; L483-M486 HydrophobicContact CD2-CE 4.11Å; L483-M486 HydrophobicContact CD2-SD 3.27Å; L483-M486 WeakPolarHBondContact CD2-SD 3.19Å; L483-M486 HydrophobicContact CG-SD 3.97Å; L483-M486 WeakPolarHBondContact O-CG 3.28Å; S484-M486 PolarHBondContact O-N 3.21Å; S484-M486 VanDerWaalsContact O-N 3.16Å; M486-L488 HydrophobicContact CB-CD1 4.42Å; M486-L488 HydrophobicContact CB-CG 4.1Å; M486-L488 PolarHBondContact O-N 3.45Å; M486-N510 WeakPolarHBondContact CA-OD1 3.44Å; M486-N510 PolarHBondContact N-OD1 2.8Å
487	N	91	Very high	93.1	Very high	69 Å²	69	44 Å²	44	37%	0.369	25%	0.247	S	C	.	.			trans	64.3	18.6	-172.9	-163.1	44.3	0	0	0	114	V465 T489 N510	V465-N487 WeakPolarHBondContact CB-O 3.14Å; V465-N487 WeakPolarHBondContact CG2-O 3.33Å; N487-T489 PolarHBondContact O-N 3.13Å; N487-N510 PolarHBondContact N-OD1 3.42Å; N487-N510 VanDerWaalsContact N-OD1 3.13Å
488	L	92.1	Very high	93	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.242	C	C	.	.			trans	-60.2	133.3	176.4	-65.2	170.5	0	0	0	110.3	L457 V465 L467 L483 M486 L507 N510 K511 V512	L457-L488 HydrophobicContact CD1-CD2 4.14Å; V465-L488 HydrophobicContact CG1-CD2 4.36Å; L467-L488 HydrophobicContact CD2-CD2 4.31Å; L467-L488 HydrophobicContact CG-CD2 4.22Å; L483-L488 HydrophobicContact CB-CD1 4.27Å; L483-L488 HydrophobicContact CD1-CD1 4.31Å; M486-L488 HydrophobicContact CB-CD1 4.42Å; M486-L488 HydrophobicContact CB-CG 4.1Å; M486-L488 PolarHBondContact O-N 3.45Å; L488-L507 HydrophobicContact CD1-CD2 4.02Å; L488-N510 HydrophobicContact CB-CB 4.11Å; L488-N510 WeakPolarHBondContact CB-OD1 3.43Å; L488-N510 PolarHBondContact N-OD1 3.01Å; L488-K511 CarbonylContact O-C 3.45Å; L488-K511 VanDerWaalsContact O-C 3.29Å; L488-K511 WeakPolarHBondContact O-CA 3.41Å; L488-K511 PolarHBondContact O-N 3.29Å; L488-V512 HydrophobicContact CB-CG2 3.92Å; L488-V512 PolarHBondContact O-N 2.6Å
489	T	91.1	Very high	92.9	Very high	39 Å²	39	42 Å²	42	24%	0.239	25%	0.245	C	C	.	.			trans	-107.7	-20.7	-179.8	61.8	0	0	0	0	112.8	S464 V465 N487 K511 S513	S464-T489 WeakPolarHBondContact CA-OG1 3.35Å; V465-T489 HydrophobicContact CB-CG2 4.32Å; V465-T489 HydrophobicContact CG2-CG2 4.27Å; V465-T489 PolarHBondContact N-OG1 3.23Å; V465-T489 PolarHBondContact O-N 3.01Å; V465-T489 VanDerWaalsContact O-N 3.14Å; N487-T489 PolarHBondContact O-N 3.13Å; T489-K511 WeakPolarHBondContact CA-O 3.34Å; T489-S513 PolarHBondContact O-N 3.12Å
490	C	87	Confident	92.6	Very high	47 Å²	47	45.7 Å²	45.7	32%	0.318	27%	0.267	S	S	.	.			trans	-156.5	150.5	-179.4	179.1	0	0	0	0	110	L466	L466-C490 HydrophobicContact CD2-CB 3.75Å; L466-C490 WeakPolarHBondContact CD2-O 3.48Å
491	L	88.3	Confident	92.4	Very high	51 Å²	51	46.2 Å²	46.2	27%	0.267	28%	0.277	S	S	.	.			trans	-109.1	109.2	164.8	-68.4	173.4	0	0	0	108.5	L467 V495 L507 V512	L467-L491 HydrophobicContact CD1-CD2 4.17Å; L491-V495 HydrophobicContact CB-CG1 4.32Å; L491-V495 HydrophobicContact CD2-CG1 4.26Å; L491-L507 HydrophobicContact CD1-CD1 3.5Å; L491-L507 HydrophobicContact CD1-CD2 4.22Å; L491-L507 HydrophobicContact CD2-CD2 4.42Å; L491-V512 HydrophobicContact CD1-CG1 4.27Å; L491-V512 HydrophobicContact CG-CG1 4.04Å; L491-V512 HydrophobicContact CG-CG2 4.48Å
492	Q	88.5	Confident	92.3	Very high	75 Å²	75	48.6 Å²	48.6	35%	0.35	29%	0.289	S	S	.	.			trans	-58.2	143.2	177.8	-70.5	-173	-25.2	0	0	110.7	L466 G494 V495	L466-Q492 HydrophobicContact CD1-CG 4.2Å; L466-Q492 HydrophobicContact CD2-CG 4.26Å; Q492-G494 PolarHBondContact O-N 3.48Å; Q492-V495 HydrophobicContact CB-CB 4.28Å; Q492-V495 VanDerWaalsContact O-CB 3.31Å; Q492-V495 WeakPolarHBondContact O-CB 3.38Å; Q492-V495 VanDerWaalsContact O-CG1 3.24Å; Q492-V495 WeakPolarHBondContact O-CG1 3.41Å; Q492-V495 PolarHBondContact O-N 3.2Å
493	N	88.6	Confident	92.3	Very high	177 Å²	177	53.2 Å²	53.2	95%	0.947	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.3	179	-168.4	0.6	0	0	0	110.2	V495	N493-V495 VanDerWaalsContact C-N 3.31Å; N493-V495 PolarHBondContact O-N 3.47Å
494	G	91.1	Very high	92.4	Very high	33 Å²	33	57 Å²	57	34%	0.34	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	3.2	-178.9	0	0	0	0	0	116.2	Q492 L496 C497	Q492-G494 PolarHBondContact O-N 3.48Å; G494-L496 PolarHBondContact O-N 3.17Å; G494-L496 VanDerWaalsContact O-N 3.15Å; G494-C497 WeakPolarHBondContact CA-SG 3.48Å; G494-C497 VanDerWaalsContact O-CB 3.25Å; G494-C497 WeakPolarHBondContact O-CB 3.42Å; G494-C497 PolarHBondContact O-N 3.45Å
495	V	93.3	Very high	92.5	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.048	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.4	-178	73.9	0	0	0	0	113.3	L467 P468 F471 G472 L491 Q492 N493	L467-V495 HydrophobicContact CB-CG2 3.93Å; P468-V495 WeakPolarHBondContact O-CG2 3.47Å; F471-V495 HydrophobicContact CB-CG2 4.26Å; G472-V495 PolarHBondContact N-O 3.39Å; L491-V495 HydrophobicContact CB-CG1 4.32Å; L491-V495 HydrophobicContact CD2-CG1 4.26Å; Q492-V495 HydrophobicContact CB-CB 4.28Å; Q492-V495 VanDerWaalsContact O-CB 3.31Å; Q492-V495 WeakPolarHBondContact O-CB 3.38Å; Q492-V495 VanDerWaalsContact O-CG1 3.24Å; Q492-V495 WeakPolarHBondContact O-CG1 3.41Å; Q492-V495 PolarHBondContact O-N 3.2Å; N493-V495 VanDerWaalsContact C-N 3.31Å; N493-V495 PolarHBondContact O-N 3.47Å
496	L	92.7	Very high	92.6	Very high	40 Å²	40	60 Å²	60	21%	0.209	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.2	176.6	-55.8	-177.7	0	0	0	113.3	L467 F471 L481 G494 G498 M499 L505	L467-L496 HydrophobicContact CD1-CD2 3.95Å; F471-L496 HydrophobicContact CD1-CD2 4.2Å; L481-L496 HydrophobicContact CD2-CD2 4.45Å; G494-L496 PolarHBondContact O-N 3.17Å; G494-L496 VanDerWaalsContact O-N 3.15Å; L496-G498 PolarHBondContact O-N 3.46Å; L496-M499 HydrophobicContact CB-SD 4.2Å; L496-M499 HydrophobicContact CD2-SD 3.98Å; L496-M499 PolarHBondContact O-N 3.35Å; L496-L505 HydrophobicContact CD1-CD1 4.42Å; L496-L505 HydrophobicContact CD1-CD2 3.56Å
497	C	93.6	Very high	92.7	Very high	87 Å²	87	62.2 Å²	62.2	59%	0.588	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	136.5	177.2	-78	0	0	0	0	110.8	G472 A473 G494	G472-C497 CarbonylContact C-O 3.6Å; A473-C497 WeakPolarHBondContact CA-O 3.49Å; A473-C497 PolarHBondContact N-O 3.21Å; G494-C497 WeakPolarHBondContact CA-SG 3.48Å; G494-C497 VanDerWaalsContact O-CB 3.25Å; G494-C497 WeakPolarHBondContact O-CB 3.42Å; G494-C497 PolarHBondContact O-N 3.45Å
498	G	91.3	Very high	92.8	Very high	31 Å²	31	61.4 Å²	61.4	32%	0.32	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.2	-19.8	-176.8	0	0	0	0	0	114	G472 L496 I500	G472-G498 CarbonylContact O-C 3.43Å; L496-G498 PolarHBondContact O-N 3.46Å; G498-I500 PolarHBondContact O-N 3.46Å
499	M	93.7	Very high	92.9	Very high	15 Å²	15	70.8 Å²	70.8	7%	0.074	39%	0.391	C	S	.	.			trans	-79.1	61.7	175.6	-57.6	177.5	72.9	0	0	111.6	G472 L478 L481 L496 G501 L502	G472-M499 WeakPolarHBondContact O-CG 3.28Å; L478-M499 HydrophobicContact CB-CE 3.66Å; L478-M499 HydrophobicContact CD1-CE 3.85Å; L478-M499 HydrophobicContact CG-CE 4.41Å; L481-M499 HydrophobicContact CB-CE 4.06Å; L481-M499 HydrophobicContact CD2-CE 3.6Å; L481-M499 HydrophobicContact CD2-SD 4.16Å; L481-M499 HydrophobicContact CG-CE 4.44Å; L496-M499 HydrophobicContact CB-SD 4.2Å; L496-M499 HydrophobicContact CD2-SD 3.98Å; L496-M499 PolarHBondContact O-N 3.35Å; M499-G501 PolarHBondContact O-N 3.32Å; M499-L502 HydrophobicContact CB-CB 4.14Å; M499-L502 HydrophobicContact CB-CD2 4.39Å; M499-L502 HydrophobicContact CE-CD1 3.58Å; M499-L502 HydrophobicContact CE-CD2 3.84Å; M499-L502 HydrophobicContact CE-CG 4.24Å; M499-L502 WeakPolarHBondContact O-CB 3.39Å; M499-L502 PolarHBondContact O-N 3.08Å; M499-L502 HydrophobicContact SD-CD2 4.27Å
500	I	91.5	Very high	92.9	Very high	158 Å²	158	70.2 Å²	70.2	81%	0.81	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.8	-171.6	58.4	172.3	0	0	0	114.2	G498	G498-I500 PolarHBondContact O-N 3.46Å
501	G	93.3	Very high	92.9	Very high	34 Å²	34	75.3 Å²	75.3	35%	0.351	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	12.6	-180	0	0	0	0	0	114.2	L478 K479 M499 E503	L478-G501 CarbonylContact O-C 3.53Å; K479-G501 WeakPolarHBondContact CA-O 3.22Å; M499-G501 PolarHBondContact O-N 3.32Å; G501-E503 PolarHBondContact O-N 3.41Å
502	L	96	Very high	92.6	Very high	50 Å²	50	75.5 Å²	75.5	26%	0.262	41%	0.406	S	S	.	.			trans	-68.2	116.9	-176.2	-167.6	62.8	0	0	0	110.9	L478 L481 M499 L504 L505	L478-L502 WeakPolarHBondContact O-CA 3.43Å; L478-L502 PolarHBondContact O-N 3.25Å; L481-L502 HydrophobicContact CB-CD1 3.98Å; M499-L502 HydrophobicContact CB-CB 4.14Å; M499-L502 HydrophobicContact CB-CD2 4.39Å; M499-L502 HydrophobicContact CE-CD1 3.58Å; M499-L502 HydrophobicContact CE-CD2 3.84Å; M499-L502 HydrophobicContact CE-CG 4.24Å; M499-L502 WeakPolarHBondContact O-CB 3.39Å; M499-L502 PolarHBondContact O-N 3.08Å; M499-L502 HydrophobicContact SD-CD2 4.27Å; L502-L504 WeakPolarHBondContact CD1-O 3.43Å; L502-L505 HydrophobicContact CD2-CB 4.04Å; L502-L505 HydrophobicContact CD2-CD2 4.42Å
503	E	97.6	Very high	91.6	Very high	155 Å²	155	79.5 Å²	79.5	72%	0.724	44%	0.442	S	S	*	.			trans	-99	-35.4	179.5	-65.1	170.3	-164.6	0	0	111.4	K479 G501	K479-E503 HydrophobicContact CB-CG 4.41Å; K479-E503 WeakPolarHBondContact O-CA 3.41Å; K479-E503 PolarHBondContact O-N 3.5Å; G501-E503 PolarHBondContact O-N 3.41Å
504	L	97.7	Very high	91.8	Very high	79 Å²	79	74.6 Å²	74.6	41%	0.414	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.8	179.4	-170.9	151.1	0	0	0	111.4	K479 V480 L481 K482 L502 D506	K479-L504 PolarHBondContact O-N 2.64Å; V480-L504 WeakPolarHBondContact CA-O 3.44Å; V480-L504 HydrophobicContact CG1-CB 4.19Å; V480-L504 HydrophobicContact CG1-CD2 3.89Å; V480-L504 HydrophobicContact CG2-CB 4.17Å; L481-L504 PolarHBondContact N-O 2.8Å; K482-L504 HydrophobicContact CG-CD2 4.13Å; L502-L504 WeakPolarHBondContact CD1-O 3.43Å; L504-D506 HydrophobicContact CD2-CB 4.1Å
505	L	96.3	Very high	91.8	Very high	67 Å²	67	76.8 Å²	76.8	35%	0.351	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.3	170.4	177.9	59.7	0	0	0	109.4	L481 L496 L502 L507	L481-L505 HydrophobicContact CB-CD1 4.19Å; L481-L505 HydrophobicContact CD2-CD1 3.94Å; L481-L505 HydrophobicContact CG-CD1 4.08Å; L481-L505 WeakPolarHBondContact O-CA 3.46Å; L496-L505 HydrophobicContact CD1-CD1 4.42Å; L496-L505 HydrophobicContact CD1-CD2 3.56Å; L502-L505 HydrophobicContact CD2-CB 4.04Å; L502-L505 HydrophobicContact CD2-CD2 4.42Å; L505-L507 HydrophobicContact CD1-CD1 4.38Å; L505-L507 HydrophobicContact CD1-CD2 4.42Å; L505-L507 HydrophobicContact CD1-CG 4.1Å; L505-L507 HydrophobicContact CD2-CD1 3.73Å; L505-L507 HydrophobicContact CD2-CG 4.33Å; L505-L507 HydrophobicContact CG-CD1 3.89Å; L505-L507 HydrophobicContact CG-CG 3.96Å
506	D	96.7	Very high	91.7	Very high	45 Å²	45	80.6 Å²	80.6	24%	0.241	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.4	174.5	-175.5	2.2	0	0	0	110.6	L481 K482 L483 S484 L504 S508	L481-D506 PolarHBondContact O-N 2.93Å; K482-D506 HydrophobicContact CB-CB 4.24Å; K482-D506 HydrophobicContact CG-CB 4.04Å; L483-D506 CarbonylContact C-O 3.12Å; L483-D506 WeakPolarHBondContact CA-O 3.48Å; L483-D506 PolarHBondContact N-O 3.33Å; S484-D506 PolarHBondContact N-O 3Å; L504-D506 HydrophobicContact CD2-CB 4.1Å; D506-S508 WeakPolarHBondContact OD1-CB 3.41Å; D506-S508 PolarHBondContact OD1-N 3.39Å; D506-S508 PolarHBondContact OD1-OG 2.89Å
507	L	94.5	Very high	91.7	Very high	46 Å²	46	83 Å²	83	24%	0.241	46%	0.455	C	S	.	.			trans	-115.9	13.2	175.2	-68.5	162.2	0	0	0	111.9	L483 L488 L491 L505 N510	L483-L507 HydrophobicContact CB-CD2 4.14Å; L483-L507 HydrophobicContact CD1-CD2 4.08Å; L488-L507 HydrophobicContact CD1-CD2 4.02Å; L491-L507 HydrophobicContact CD1-CD1 3.5Å; L491-L507 HydrophobicContact CD1-CD2 4.22Å; L491-L507 HydrophobicContact CD2-CD2 4.42Å; L505-L507 HydrophobicContact CD1-CD1 4.38Å; L505-L507 HydrophobicContact CD1-CD2 4.42Å; L505-L507 HydrophobicContact CD1-CG 4.1Å; L505-L507 HydrophobicContact CD2-CD1 3.73Å; L505-L507 HydrophobicContact CD2-CG 4.33Å; L505-L507 HydrophobicContact CG-CD1 3.89Å; L505-L507 HydrophobicContact CG-CG 3.96Å; L507-N510 WeakPolarHBondContact O-CB 3.22Å; L507-N510 PolarHBondContact O-N 3.49Å; L507-N510 PolarHBondContact O-ND2 2.79Å
508	S	94.5	Very high	91.5	Very high	53 Å²	53	82.8 Å²	82.8	37%	0.371	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	154.7	-177.3	62.2	0	0	0	0	111.9	S484 S485 D506 N510	S484-S508 CarbonylContact C-O 3.54Å; S484-S508 WeakPolarHBondContact CA-O 3.43Å; S484-S508 WeakPolarHBondContact CB-OG 3.49Å; S484-S508 PolarHBondContact OG-O 3.05Å; S484-S508 PolarHBondContact OG-OG 2.95Å; S485-S508 PolarHBondContact N-O 3.16Å; D506-S508 WeakPolarHBondContact OD1-CB 3.41Å; D506-S508 PolarHBondContact OD1-N 3.39Å; D506-S508 PolarHBondContact OD1-OG 2.89Å; S508-N510 PolarHBondContact O-N 3.25Å; S508-N510 PolarHBondContact O-ND2 2.94Å
509	R	92.9	Very high	91.6	Very high	197 Å²	197	86.2 Å²	86.2	74%	0.743	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	16.9	177.8	-53.8	177.6	178.9	178.4	-0	115.1
510	N	92.2	Very high	91.4	Very high	27 Å²	27	91.3 Å²	91.3	14%	0.144	48%	0.483	C	S	.	.	S	Bend	trans	-92.1	175	164.3	-69.8	-73.5	0	0	0	111.1	L483 M486 N487 L488 L507 S508 V512	L483-N510 PolarHBondContact O-ND2 2.94Å; M486-N510 WeakPolarHBondContact CA-OD1 3.44Å; M486-N510 PolarHBondContact N-OD1 2.8Å; N487-N510 PolarHBondContact N-OD1 3.42Å; N487-N510 VanDerWaalsContact N-OD1 3.13Å; L488-N510 HydrophobicContact CB-CB 4.11Å; L488-N510 WeakPolarHBondContact CB-OD1 3.43Å; L488-N510 PolarHBondContact N-OD1 3.01Å; L507-N510 WeakPolarHBondContact O-CB 3.22Å; L507-N510 PolarHBondContact O-N 3.49Å; L507-N510 PolarHBondContact O-ND2 2.79Å; S508-N510 PolarHBondContact O-N 3.25Å; S508-N510 PolarHBondContact O-ND2 2.94Å; N510-V512 HydrophobicContact CB-CG2 3.88Å
511	K	86.4	Confident	91.4	Very high	154 Å²	154	86.2 Å²	86.2	67%	0.67	46%	0.458	S	S	*	.			trans	-112.3	36.7	177.1	-60.3	-179.2	-177	174.2	0	110.9	L488 T489 S513	L488-K511 CarbonylContact O-C 3.45Å; L488-K511 VanDerWaalsContact O-C 3.29Å; L488-K511 WeakPolarHBondContact O-CA 3.41Å; L488-K511 PolarHBondContact O-N 3.29Å; T489-K511 WeakPolarHBondContact CA-O 3.34Å; K511-S513 PolarHBondContact O-N 3.15Å
512	V	81.9	Confident	91.2	Very high	54 Å²	54	90.5 Å²	90.5	33%	0.327	47%	0.467	S	S	.	.			trans	-68.3	113.8	-179.9	-176.5	0	0	0	0	108.2	L488 L491 N510	L488-V512 HydrophobicContact CB-CG2 3.92Å; L488-V512 PolarHBondContact O-N 2.6Å; L491-V512 HydrophobicContact CD1-CG1 4.27Å; L491-V512 HydrophobicContact CG-CG1 4.04Å; L491-V512 HydrophobicContact CG-CG2 4.48Å; N510-V512 HydrophobicContact CB-CG2 3.88Å
513	S	68.2	Low	90.8	Very high	159 Å²	159	94.2 Å²	94.2	100%	1.112	49%	0.485	S	S	*	.			trans	-75.9	0	176.7	63.6	0	0	0	0	113	T489 K511	T489-S513 PolarHBondContact O-N 3.12Å; K511-S513 PolarHBondContact O-N 3.15Å

Retrieved 513 of 513 residues in 187.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).