A0A087Y0V9_POEFO Loading...

Bone morphogenetic protein 3

AlphaFold DB , UniProt , Accession A0A087Y0V9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.1	Low	53.8	Low	245 Å²	245	129.8 Å²	129.8	100%	1.207	68%	0.677	S	S	*	*				0	62.1	0	-70.1	-155.7	-97.3	0	0	111.7
2	A	54.2	Low	53.8	Low	75 Å²	75	128.8 Å²	128.8	62%	0.62	67%	0.672	S	S	*	*			trans	-131	-6.4	178.4	0	0	0	0	0	113.3
3	L	50.2	Low	53.6	Low	154 Å²	154	130.5 Å²	130.5	81%	0.806	67%	0.665	S	S	*	*	S	Bend	trans	-94.3	-24.4	178	-81.9	149.8	0	0	0	113.1
4	Y	51.1	Low	53.2	Low	195 Å²	195	123.6 Å²	123.6	77%	0.765	64%	0.643	S	S	*	*	H	α-helix	trans	-77	-29.9	175.5	-118.5	-93.5	0	0	0	113.1	L7 V8	Y4-L7 PolarHBondContact O-N 3.41Å; Y4-V8 WeakPolarHBondContact O-CG2 3.49Å; Y4-V8 PolarHBondContact O-N 3.48Å
5	S	51.7	Low	52.9	Low	78 Å²	78	128.8 Å²	128.8	55%	0.545	65%	0.651	S	S	.	*	H	α-helix	trans	-72	-30	178.7	-172.9	0	0	0	0	112.5	L9	S5-L9 PolarHBondContact O-N 2.85Å
6	R	53.5	Low	52.5	Low	199 Å²	199	124.5 Å²	124.5	75%	0.751	64%	0.637	S	S	*	*	H	α-helix	trans	-77.2	-27.6	176.5	-71.3	-171.7	174.7	-165	-0.9	113.4	V10	R6-V10 WeakPolarHBondContact O-CG2 3.43Å; R6-V10 PolarHBondContact O-N 3.46Å
7	L	52.9	Low	52.3	Low	119 Å²	119	127.9 Å²	127.9	62%	0.623	64%	0.641	S	S	*	*	H	α-helix	trans	-74.8	-36.8	177.2	-150.1	85.5	0	0	0	112	Y4 V10 V11	Y4-L7 PolarHBondContact O-N 3.41Å; L7-V10 PolarHBondContact O-N 3.45Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.09Å
8	V	56.5	Low	51.9	Low	83 Å²	83	127.8 Å²	127.8	50%	0.503	64%	0.642	S	S	.	*	H	α-helix	trans	-70.3	-35.4	177.9	176.9	0	0	0	0	111.8	Y4 V11 L12	Y4-V8 WeakPolarHBondContact O-CG2 3.49Å; Y4-V8 PolarHBondContact O-N 3.48Å; V8-V11 PolarHBondContact O-N 2.67Å; V8-L12 HydrophobicContact CG1-CD1 3.99Å; V8-L12 WeakPolarHBondContact O-CG 3.46Å; V8-L12 PolarHBondContact O-N 3.41Å; V8-L12 VanDerWaalsContact O-N 3.13Å
9	L	53.7	Low	51.5	Low	89 Å²	89	126.4 Å²	126.4	47%	0.466	65%	0.645	S	S	.	*	H	α-helix	trans	-67	-38.2	174.1	-91.9	154.8	0	0	0	112.5	S5 L12 Y13	S5-L9 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 3.15Å; L9-Y13 HydrophobicContact CD2-CD2 3.95Å; L9-Y13 HydrophobicContact CD2-CE2 3.58Å; L9-Y13 WeakPolarHBondContact O-CB 3.15Å; L9-Y13 VanDerWaalsContact O-CD2 3.29Å; L9-Y13 WeakPolarHBondContact O-CD2 3.3Å; L9-Y13 PolarHBondContact O-N 3.5Å
10	V	56.5	Low	51.1	Low	107 Å²	107	123.1 Å²	123.1	65%	0.648	64%	0.637	S	S	*	*	H	α-helix	trans	-70.8	-32.1	178.2	174.5	0	0	0	0	112.1	R6 L7 G14	R6-V10 WeakPolarHBondContact O-CG2 3.43Å; R6-V10 PolarHBondContact O-N 3.46Å; L7-V10 PolarHBondContact O-N 3.45Å; V10-G14 PolarHBondContact O-N 3.21Å
11	V	56.5	Low	50.7	Low	84 Å²	84	119.6 Å²	119.6	51%	0.509	63%	0.631	S	S	.	*	H	α-helix	trans	-74.2	-36.4	176.2	176.9	0	0	0	0	111.9	L7 V8 G14 W15	L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.09Å; V8-V11 PolarHBondContact O-N 2.67Å; V11-G14 PolarHBondContact O-N 3.15Å; V11-W15 PolarHBondContact O-N 3.27Å
12	L	53.8	Low	49.8	Very low	118 Å²	118	116.5 Å²	116.5	62%	0.618	61%	0.611	S	S	*	*	H	α-helix	trans	-74.2	-34	176.8	-70.9	170.6	0	0	0	113.2	V8 L9 S16	V8-L12 HydrophobicContact CG1-CD1 3.99Å; V8-L12 WeakPolarHBondContact O-CG 3.46Å; V8-L12 PolarHBondContact O-N 3.41Å; V8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 3.15Å; L12-S16 PolarHBondContact O-OG 3.41Å; L12-S16 VanDerWaalsContact O-OG 3.06Å
13	Y	50.9	Low	48.9	Very low	150 Å²	150	118.5 Å²	118.5	59%	0.588	62%	0.619	S	S	*	*	H	α-helix	trans	-78.6	-27.9	171.5	-80.1	-76.3	0	0	0	112.7	L9 W15 S16 Y17	L9-Y13 HydrophobicContact CD2-CD2 3.95Å; L9-Y13 HydrophobicContact CD2-CE2 3.58Å; L9-Y13 WeakPolarHBondContact O-CB 3.15Å; L9-Y13 VanDerWaalsContact O-CD2 3.29Å; L9-Y13 WeakPolarHBondContact O-CD2 3.3Å; L9-Y13 PolarHBondContact O-N 3.5Å; Y13-W15 VanDerWaalsContact C-N 3.34Å; Y13-W15 PolarHBondContact O-N 3.41Å; Y13-S16 WeakPolarHBondContact CA-OG 3.41Å; Y13-S16 PolarHBondContact O-N 3.43Å; Y13-S16 PolarHBondContact O-OG 3.14Å; Y13-S16 VanDerWaalsContact O-OG 3.07Å; Y13-Y17 WeakPolarHBondContact O-CD2 3.42Å
14	G	48.6	Very low	48.3	Very low	34 Å²	34	114.9 Å²	114.9	35%	0.351	61%	0.611	S	S	.	*	H	α-helix	trans	-68.2	-28.4	174.5	0	0	0	0	0	114.2	V10 V11	V10-G14 PolarHBondContact O-N 3.21Å; V11-G14 PolarHBondContact O-N 3.15Å
15	W	48.4	Very low	47.5	Very low	202 Å²	202	113.4 Å²	113.4	77%	0.765	61%	0.614	S	S	*	*	H	α-helix	trans	-87.5	-19.2	177.9	-82.4	41.4	0	0	0	113.9	V11 Y13 C19	V11-W15 PolarHBondContact O-N 3.27Å; Y13-W15 VanDerWaalsContact C-N 3.34Å; Y13-W15 PolarHBondContact O-N 3.41Å; W15-C19 PolarHBondContact O-N 3.27Å
16	S	46.2	Very low	46.6	Very low	60 Å²	60	118 Å²	118	42%	0.42	63%	0.631	S	S	.	*	H	α-helix	trans	-78.8	-26.5	173.9	34.2	0	0	0	0	112.8	L12 Y13 A20	L12-S16 PolarHBondContact O-OG 3.41Å; L12-S16 VanDerWaalsContact O-OG 3.06Å; Y13-S16 WeakPolarHBondContact CA-OG 3.41Å; Y13-S16 PolarHBondContact O-N 3.43Å; Y13-S16 PolarHBondContact O-OG 3.14Å; Y13-S16 VanDerWaalsContact O-OG 3.07Å; S16-A20 WeakPolarHBondContact O-CB 3.35Å; S16-A20 PolarHBondContact O-N 2.8Å
17	Y	48.8	Very low	45.4	Very low	182 Å²	182	117.9 Å²	117.9	71%	0.714	64%	0.636	S	S	*	*	H	α-helix	trans	-86.1	-19.7	174.9	-78.9	-80.1	0	0	0	114.6	Y13 G21	Y13-Y17 WeakPolarHBondContact O-CD2 3.42Å; Y17-G21 PolarHBondContact O-N 3.2Å
18	L	46.4	Very low	44.2	Very low	127 Å²	127	118.7 Å²	118.7	67%	0.665	65%	0.646	S	S	*	*	H	α-helix	trans	-83.5	-22.8	172.5	-93.3	152.9	0	0	0	113.7
19	C	44.2	Very low	42.7	Very low	101 Å²	101	122 Å²	122	68%	0.682	66%	0.661	S	S	*	*	H	α-helix	trans	-83.2	-24.3	168.4	-85.5	0	0	0	0	113.5	W15	W15-C19 PolarHBondContact O-N 3.27Å
20	A	43.5	Very low	41.4	Very low	59 Å²	59	123.2 Å²	123.2	49%	0.488	68%	0.677	S	S	.	*	H	α-helix	trans	-80	-22.6	175.4	0	0	0	0	0	113.3	S16	S16-A20 WeakPolarHBondContact O-CB 3.35Å; S16-A20 PolarHBondContact O-N 2.8Å
21	G	41.1	Very low	40	Very low	50 Å²	50	127.8 Å²	127.8	52%	0.515	69%	0.688	S	S	.	*	H	α-helix	trans	-82.4	-19.9	177.2	0	0	0	0	0	115.6	Y17	Y17-G21 PolarHBondContact O-N 3.2Å
22	F	37.4	Very low	38.6	Very low	181 Å²	181	129.3 Å²	129.3	79%	0.794	70%	0.7	S	S	*	*	H	α-helix	trans	-95	-10.4	175	-102.7	-86.3	0	0	0	114
23	C	34.8	Very low	37.4	Very low	116 Å²	116	132.3 Å²	132.3	78%	0.784	71%	0.711	S	S	*	*	S	Bend	trans	-90.8	-1.3	176.2	-122.1	0	0	0	0	113.7
24	A	36.7	Very low	36.3	Very low	78 Å²	78	137.2 Å²	137.2	65%	0.645	73%	0.728	S	S	*	*	S	Bend	trans	-114.7	16.4	-176.6	0	0	0	0	0	114.4
25	M	34.4	Very low	35.1	Very low	165 Å²	165	142.8 Å²	142.8	81%	0.813	75%	0.749	S	S	*	*	S	Bend	trans	-136.4	25.8	178.5	-95.5	-69.6	158.2	0	0	114.8
26	L	33.8	Very low	34.2	Very low	173 Å²	173	142 Å²	142	91%	0.906	75%	0.751	S	S	*	*	S	Bend	trans	-144.6	59.2	166.1	-75.7	176.9	0	0	0	111.3
27	K	27.6	Very low	33.1	Very low	197 Å²	197	144.2 Å²	144.2	86%	0.857	76%	0.762	S	S	*	*			trans	-146.8	74.8	168.6	-157.4	169.8	-171.3	172.7	0	111.3
28	T	27.6	Very low	32	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	76%	0.762	S	S	*	*			trans	-152	94.1	150	39.1	0	0	0	0	107.3
29	D	25.9	Very low	31	Very low	154 Å²	154	145 Å²	145	82%	0.824	77%	0.771	S	S	*	*			trans	-156.5	112.6	136.3	-102.7	-21.7	0	0	0	108.3	F31	D29-F31 PolarHBondContact O-N 3.37Å
30	S	27.1	Very low	30.2	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	77%	0.774	S	S	*	*			trans	-61.5	108.6	-179.9	43.1	0	0	0	0	111	P32	S30-P32 WeakPolarHBondContact O-CD 3.39Å
31	F	26.4	Very low	29.4	Very low	204 Å²	204	151.3 Å²	151.3	90%	0.895	79%	0.788	S	S	*	*			trans	-76.2	117.8	158.7	-90.5	-91.7	0	0	0	108.8	D29	D29-F31 PolarHBondContact O-N 3.37Å
32	P	27.8	Very low	28.9	Very low	116 Å²	116	154.5 Å²	154.5	75%	0.753	80%	0.802	S	S	*	*			trans	-77.4	149.3	177.2	31.2	-31.2	0	0	0	111	S30	S30-P32 WeakPolarHBondContact O-CD 3.39Å
33	E	26.9	Very low	28.6	Very low	181 Å²	181	152 Å²	152	85%	0.846	80%	0.801	S	S	*	*			trans	-44.3	149.9	173.1	-75.9	166.8	120.3	0	0	113.7	L35	E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 2.85Å
34	R	28.5	Very low	28.1	Very low	253 Å²	253	153.9 Å²	153.9	96%	0.955	80%	0.804	S	S	*	*			trans	-51.1	93.8	161	-79.7	178.7	-178	-178.3	-0.2	109.9	K36	R34-K36 PolarHBondContact O-N 3.41Å
35	L	24.5	Very low	27.9	Very low	151 Å²	151	161.9 Å²	161.9	79%	0.791	82%	0.817	S	S	*	*			trans	-62.9	114.6	156.2	-94.5	140.4	0	0	0	107.6	E33 V37	E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 2.85Å; L35-V37 PolarHBondContact O-N 3.29Å
36	K	27.7	Very low	27.8	Very low	185 Å²	185	162.4 Å²	162.4	80%	0.804	82%	0.815	S	S	*	*			trans	-49.3	111.7	152.7	-86.8	177	172.2	178.5	0	106.8	R34 D38	R34-K36 PolarHBondContact O-N 3.41Å; K36-D38 PolarHBondContact O-N 3.33Å
37	V	24.8	Very low	27.6	Very low	107 Å²	107	165.1 Å²	165.1	65%	0.648	82%	0.815	S	S	*	*			trans	-84.1	96.7	166.4	179.9	0	0	0	0	106	L35 F39	L35-V37 PolarHBondContact O-N 3.29Å; V37-F39 HydrophobicContact CG1-CD2 4.01Å; V37-F39 HydrophobicContact CG1-CE2 3.93Å; V37-F39 PolarHBondContact O-N 3.3Å
38	D	24.6	Very low	27.6	Very low	133 Å²	133	160.5 Å²	160.5	71%	0.711	81%	0.814	S	S	*	*			trans	-63.9	112	159.4	-80.5	-32.3	0	0	0	107.5	K36 T40	K36-D38 PolarHBondContact O-N 3.33Å; D38-T40 PolarHBondContact O-N 3.1Å
39	F	25.2	Very low	28	Very low	193 Å²	193	159.1 Å²	159.1	85%	0.846	82%	0.816	S	S	*	*			trans	-77.4	80.3	166	-89.7	-87	0	0	0	108.8	V37	V37-F39 HydrophobicContact CG1-CD2 4.01Å; V37-F39 HydrophobicContact CG1-CE2 3.93Å; V37-F39 PolarHBondContact O-N 3.3Å
40	T	28.3	Very low	28.3	Very low	123 Å²	123	161.4 Å²	161.4	76%	0.755	82%	0.818	S	S	*	*			trans	-96.3	92.2	154.6	45.3	0	0	0	0	108.1	D38	D38-T40 PolarHBondContact O-N 3.1Å
41	H	25.7	Very low	28.6	Very low	168 Å²	168	163.9 Å²	163.9	78%	0.778	82%	0.823	S	S	*	*			trans	-127.6	103.6	154.8	-111.5	-82.5	0	0	0	108.9	V43	H41-V43 PolarHBondContact O-N 2.87Å
42	S	31.4	Very low	28.8	Very low	117 Å²	117	160.8 Å²	160.8	82%	0.818	82%	0.816	S	S	*	*			trans	-57.3	116.1	162	54.9	0	0	0	0	109.1
43	V	30.2	Very low	28.8	Very low	128 Å²	128	166.8 Å²	166.8	78%	0.776	82%	0.823	S	S	*	*			trans	-123.6	128.6	156.7	179.7	0	0	0	0	106.4	H41 R45	H41-V43 PolarHBondContact O-N 2.87Å; V43-R45 PolarHBondContact O-N 2.93Å
44	D	25.8	Very low	28.8	Very low	157 Å²	157	165.7 Å²	165.7	84%	0.84	82%	0.823	S	S	*	*			trans	-45.5	116	-167.4	-79.7	-59.7	0	0	0	114.9	K46	D44-K46 PolarHBondContact O-N 3.45Å
45	R	32.4	Very low	29.1	Very low	245 Å²	245	157.3 Å²	157.3	93%	0.925	81%	0.808	S	S	*	*			trans	-95.5	71.6	171.9	-156.3	-178.9	-167.7	-177.5	4.4	109.3	V43	V43-R45 PolarHBondContact O-N 2.93Å
46	K	30.7	Very low	29.9	Very low	176 Å²	176	157.8 Å²	157.8	77%	0.765	81%	0.806	S	S	*	*			trans	-142	128.6	163.9	-75.7	-171.2	179.1	172.9	0	109.5	D44	D44-K46 PolarHBondContact O-N 3.45Å
47	Y	30.1	Very low	30.5	Very low	231 Å²	231	156.9 Å²	156.9	91%	0.906	81%	0.809	S	S	*	*	S	Bend	trans	87	77.1	-178.1	-51.8	-72	0	0	0	116.9
48	A	29	Very low	32	Very low	100 Å²	100	156 Å²	156	83%	0.826	80%	0.798	S	S	*	*			trans	178.3	60.9	133.3	0	0	0	0	0	109.2	K50	A48-K50 PolarHBondContact O-N 2.98Å
49	A	36	Very low	34.4	Very low	107 Å²	107	151.6 Å²	151.6	88%	0.884	77%	0.774	S	S	*	*			trans	-95.7	72.7	169.2	0	0	0	0	0	108.8
50	K	31.8	Very low	37.2	Very low	201 Å²	201	143.7 Å²	143.7	87%	0.874	74%	0.742	S	S	*	*	S	Bend	trans	-173.2	128.2	158	-124.3	171.5	174.3	178.5	0	107.4	A48	A48-K50 PolarHBondContact O-N 2.98Å
51	D	32.1	Very low	40	Very low	166 Å²	166	138.3 Å²	138.3	89%	0.888	71%	0.708	S	S	*	*			trans	96.2	43.5	171.1	-130.2	30.4	0	0	0	118.8
52	D	30.3	Very low	42.9	Very low	138 Å²	138	131.2 Å²	131.2	74%	0.738	68%	0.677	S	S	*	*			trans	-130.7	59.4	171.5	-150.1	6.5	0	0	0	111.7
53	R	28.3	Very low	45.6	Very low	243 Å²	243	130 Å²	130	92%	0.917	66%	0.658	S	S	*	*	S	Bend	trans	-110.2	7.1	167	-74.8	-157.3	-62	-149.7	-0.6	113.7
54	D	28.4	Very low	48.4	Very low	157 Å²	157	125.7 Å²	125.7	84%	0.84	63%	0.629	S	S	*	*			trans	-114.8	40.1	171.1	-71.1	-30.9	0	0	0	111	H56	D54-H56 PolarHBondContact O-N 2.79Å
55	A	34.6	Very low	51.5	Low	78 Å²	78	118.2 Å²	118.2	65%	0.645	59%	0.59	S	S	*	*			trans	-68.3	81.4	160.4	0	0	0	0	0	107.8	L57	A55-L57 PolarHBondContact O-N 3.46Å
56	H	40.2	Very low	54.3	Low	161 Å²	161	110 Å²	110	75%	0.745	56%	0.562	S	S	*	*			trans	-41.2	121.5	171.1	-152.3	-80.5	0	0	0	108.1	D54 Q58	D54-H56 PolarHBondContact O-N 2.79Å; H56-Q58 PolarHBondContact O-N 2.92Å
57	L	40.5	Very low	57	Low	166 Å²	166	107.5 Å²	107.5	87%	0.869	55%	0.554	S	S	*	*			trans	-48.7	103.4	171.6	-127	88.9	0	0	0	107	A55 D59	A55-L57 PolarHBondContact O-N 3.46Å; L57-D59 PolarHBondContact O-N 2.91Å
58	Q	55.6	Low	59.9	Low	88 Å²	88	97 Å²	97	41%	0.411	51%	0.514	S	S	.	.			trans	-68.9	112.3	-177	-164.9	74.2	-7.7	0	0	106.6	H56 T60 E63	H56-Q58 PolarHBondContact O-N 2.92Å; Q58-T60 PolarHBondContact O-N 3.13Å; Q58-E63 HydrophobicContact CB-CG 4.35Å; Q58-E63 HydrophobicContact CG-CG 3.73Å
59	D	76.8	Confident	62.8	Low	41 Å²	41	93.2 Å²	93.2	22%	0.219	48%	0.478	C	S	.	.			trans	-61.2	134.1	-177.2	-172.7	19.9	0	0	0	110.1	L57 M61 T62 E63 K89	L57-D59 PolarHBondContact O-N 2.91Å; D59-M61 PolarHBondContact O-N 3.13Å; D59-M61 VanDerWaalsContact O-N 3.12Å; D59-T62 WeakPolarHBondContact O-CA 3.45Å; D59-T62 WeakPolarHBondContact O-CB 3.45Å; D59-T62 PolarHBondContact O-N 3.12Å; D59-E63 PolarHBondContact O-N 3.45Å; D59-K89 IonicContact OD1-NZ 3.13Å; D59-K89 PolarHBondContact OD1-NZ 3.03Å; D59-K89 VanDerWaalsContact OD1-NZ 3.13Å; D59-K89 WeakPolarHBondContact OD2-CD 3.36Å; D59-K89 IonicContact OD2-NZ 2.67Å; D59-K89 PolarHBondContact OD2-NZ 3.28Å
60	T	82.2	Confident	65.3	Low	27 Å²	27	91.4 Å²	91.4	17%	0.166	45%	0.454	C	S	.	.	H	α-helix	trans	-61.3	-28	-174.2	56.7	0	0	0	0	112.7	Q58 H64 W184	Q58-T60 PolarHBondContact O-N 3.13Å; T60-H64 WeakPolarHBondContact O-CB 3.39Å; T60-H64 PolarHBondContact O-N 2.67Å; T60-W184 HydrophobicContact CG2-CZ2 3.8Å; T60-W184 WeakPolarHBondContact OG1-CH2 3.49Å; T60-W184 VanDerWaalsContact OG1-CZ2 3.25Å; T60-W184 WeakPolarHBondContact OG1-CZ2 3.2Å
61	M	87.3	Confident	67.9	Low	9 Å²	9	87.9 Å²	87.9	4%	0.044	44%	0.439	C	S	.	.	H	α-helix	trans	-62.8	-46.5	171.1	-178.6	-147	77.4	0	0	111.2	D59 E63 H64 M65 S87 K89 Y226 V447	D59-M61 PolarHBondContact O-N 3.13Å; D59-M61 VanDerWaalsContact O-N 3.12Å; M61-E63 VanDerWaalsContact C-N 3.35Å; M61-H64 PolarHBondContact O-N 3.19Å; M61-M65 WeakPolarHBondContact O-CG 3.47Å; M61-M65 PolarHBondContact O-N 3.32Å; M61-S87 WeakPolarHBondContact CE-OG 3.27Å; M61-S87 VanDerWaalsContact SD-CB 3.59Å; M61-S87 PolarHBondContact SD-OG 2.99Å; M61-S87 VanDerWaalsContact SD-OG 3.37Å; M61-K89 HydrophobicContact SD-CB 4.38Å; M61-Y226 HydrophobicContact CB-CD1 3.83Å; M61-Y226 HydrophobicContact CB-CD2 4.35Å; M61-Y226 HydrophobicContact CB-CE1 4.25Å; M61-Y226 HydrophobicContact CB-CG 3.88Å; M61-Y226 HydrophobicContact CG-CD1 4.28Å; M61-Y226 HydrophobicContact CG-CD2 3.96Å; M61-Y226 HydrophobicContact CG-CG 3.8Å; M61-V447 HydrophobicContact CE-CB 3.88Å; M61-V447 HydrophobicContact CE-CG2 3.49Å; M61-V447 VanDerWaalsContact CE-CG2 3.49Å
62	T	87.2	Confident	70.2	Confident	19 Å²	19	81.3 Å²	81.3	12%	0.117	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-41.5	179.3	-54.2	0	0	0	0	110.9	D59 H64 M65 Q66	D59-T62 WeakPolarHBondContact O-CA 3.45Å; D59-T62 WeakPolarHBondContact O-CB 3.45Å; D59-T62 PolarHBondContact O-N 3.12Å; T62-H64 VanDerWaalsContact C-N 3.35Å; T62-H64 PolarHBondContact O-N 3.03Å; T62-M65 PolarHBondContact O-N 3.04Å; T62-Q66 WeakPolarHBondContact O-CB 3.37Å; T62-Q66 WeakPolarHBondContact O-CG 3.33Å; T62-Q66 PolarHBondContact O-N 3Å
63	E	87.6	Confident	72.7	Confident	91 Å²	91	78.3 Å²	78.3	43%	0.425	39%	0.385	S	S	.	.	H	α-helix	trans	-60.4	-43.8	172.8	-65.1	-177.4	159.8	0	0	111.6	Q58 D59 M61 M65 Q66 M67	Q58-E63 HydrophobicContact CB-CG 4.35Å; Q58-E63 HydrophobicContact CG-CG 3.73Å; D59-E63 PolarHBondContact O-N 3.45Å; M61-E63 VanDerWaalsContact C-N 3.35Å; E63-M65 PolarHBondContact O-N 3.23Å; E63-Q66 PolarHBondContact O-N 3.32Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 2.96Å
64	H	89.2	Confident	75.1	Confident	38 Å²	38	76.4 Å²	76.4	18%	0.176	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-43.4	176.5	-169.4	-178.5	0	0	0	111.8	T60 M61 T62 Q66 M67 L68 H120 Y226 L228	T60-H64 WeakPolarHBondContact O-CB 3.39Å; T60-H64 PolarHBondContact O-N 2.67Å; M61-H64 PolarHBondContact O-N 3.19Å; T62-H64 VanDerWaalsContact C-N 3.35Å; T62-H64 PolarHBondContact O-N 3.03Å; H64-Q66 VanDerWaalsContact C-N 3.34Å; H64-Q66 PolarHBondContact O-N 3.34Å; H64-M67 HydrophobicContact CB-CE 4.36Å; H64-M67 PolarHBondContact O-N 3.14Å; H64-L68 WeakPolarHBondContact O-CG 3.25Å; H64-L68 PolarHBondContact O-N 3.18Å; H64-H120 AromaticContact CE1-CD2 3.95Å; H64-H120 AromaticContact CE1-CE1 3.94Å; H64-H120 AromaticContact CE1-NE2 3.45Å; H64-H120 PolarHBondContact CE1-NE2 2.78Å; H64-Y226 AromaticContact ND1-CE2 3.59Å; H64-Y226 AromaticContact ND1-CZ 3.66Å; H64-Y226 PolarHBondContact ND1-OH 3.5Å; H64-L228 VanDerWaalsContact CE1-CD1 3.48Å; H64-L228 WeakPolarHBondContact CE1-CD1 3.44Å
65	M	91.3	Very high	76.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-37.2	176.6	-71.1	-61.2	-70.2	0	0	112.6	M61 T62 E63 L68 Y69 V85 L228 L439 V447 L449	M61-M65 WeakPolarHBondContact O-CG 3.47Å; M61-M65 PolarHBondContact O-N 3.32Å; T62-M65 PolarHBondContact O-N 3.04Å; E63-M65 PolarHBondContact O-N 3.23Å; M65-L68 WeakPolarHBondContact O-CB 3.21Å; M65-L68 PolarHBondContact O-N 3.37Å; M65-L68 HydrophobicContact SD-CD1 4.02Å; M65-Y69 PolarHBondContact O-N 3.29Å; M65-V85 HydrophobicContact CE-CB 4.45Å; M65-V85 HydrophobicContact CE-CG1 4.11Å; M65-V85 HydrophobicContact SD-CG1 4.2Å; M65-L228 HydrophobicContact CG-CD2 4.47Å; M65-L228 HydrophobicContact SD-CD2 3.66Å; M65-L439 HydrophobicContact CB-CD1 4.26Å; M65-L439 HydrophobicContact CE-CD1 4.19Å; M65-V447 HydrophobicContact CB-CG1 3.79Å; M65-V447 HydrophobicContact CE-CG1 4.11Å; M65-V447 HydrophobicContact CG-CB 4.27Å; M65-V447 HydrophobicContact CG-CG1 3.97Å; M65-L449 HydrophobicContact CE-CB 3.9Å
66	Q	90.8	Very high	77.7	Confident	74 Å²	74	70.9 Å²	70.9	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-43.5	172.9	-75.1	175.4	-15.3	0	0	111.9	T62 E63 H64 L68 Y69 D70 L439	T62-Q66 WeakPolarHBondContact O-CB 3.37Å; T62-Q66 WeakPolarHBondContact O-CG 3.33Å; T62-Q66 PolarHBondContact O-N 3Å; E63-Q66 PolarHBondContact O-N 3.32Å; H64-Q66 VanDerWaalsContact C-N 3.34Å; H64-Q66 PolarHBondContact O-N 3.34Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.99Å; Q66-Y69 WeakPolarHBondContact O-CB 3.42Å; Q66-Y69 PolarHBondContact O-N 3.17Å; Q66-D70 PolarHBondContact O-N 3.17Å; Q66-L439 HydrophobicContact CG-CD2 4.08Å
67	M	88.8	Confident	78.2	Confident	123 Å²	123	70.2 Å²	70.2	61%	0.606	36%	0.357	S	S	*	.	H	α-helix	trans	-60.8	-38.5	174.1	-73.8	-169.9	-66.6	0	0	112	E63 H64 K71	E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 2.96Å; H64-M67 HydrophobicContact CB-CE 4.36Å; H64-M67 PolarHBondContact O-N 3.14Å; M67-K71 VanDerWaalsContact O-CB 3.28Å; M67-K71 WeakPolarHBondContact O-CB 3.44Å; M67-K71 PolarHBondContact O-N 3.41Å
68	L	89.3	Confident	78.9	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-62.2	-51.3	173.4	-74.8	173.9	0	0	0	110.6	H64 M65 Q66 D70 K71 Y72 V85 L228 L449	H64-L68 WeakPolarHBondContact O-CG 3.25Å; H64-L68 PolarHBondContact O-N 3.18Å; M65-L68 WeakPolarHBondContact O-CB 3.21Å; M65-L68 PolarHBondContact O-N 3.37Å; M65-L68 HydrophobicContact SD-CD1 4.02Å; Q66-L68 VanDerWaalsContact C-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.99Å; L68-D70 VanDerWaalsContact C-N 3.32Å; L68-D70 PolarHBondContact O-N 3.4Å; L68-K71 WeakPolarHBondContact O-CB 3.05Å; L68-K71 PolarHBondContact O-N 3.23Å; L68-K71 VanDerWaalsContact O-N 3.1Å; L68-Y72 HydrophobicContact CB-CD2 4.38Å; L68-Y72 HydrophobicContact CB-CE2 4.07Å; L68-Y72 HydrophobicContact CD2-CE2 4.14Å; L68-Y72 WeakPolarHBondContact O-CD2 3.11Å; L68-Y72 PolarHBondContact O-N 2.91Å; L68-V85 HydrophobicContact CD1-CG1 4.49Å; L68-L228 HydrophobicContact CD1-CD1 3.96Å; L68-L449 HydrophobicContact CB-CD2 4.31Å
69	Y	90.9	Very high	79.1	Confident	20 Å²	20	64.6 Å²	64.6	8%	0.078	34%	0.335	C	S	.	.	H	α-helix	trans	-51.9	-49.5	176.4	173.7	-96.8	0	0	0	112.3	M65 Q66 K71 Y72 N73 S381 P382 S437 L439 L449	M65-Y69 PolarHBondContact O-N 3.29Å; Q66-Y69 WeakPolarHBondContact O-CB 3.42Å; Q66-Y69 PolarHBondContact O-N 3.17Å; Y69-K71 PolarHBondContact O-N 3.33Å; Y69-Y72 PolarHBondContact O-N 2.78Å; Y69-N73 WeakPolarHBondContact CE1-ND2 3.48Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.37Å; Y69-N73 PolarHBondContact O-N 3.22Å; Y69-N73 PolarHBondContact OH-ND2 2.87Å; Y69-N73 VanDerWaalsContact OH-ND2 3.1Å; Y69-S381 WeakPolarHBondContact CE1-OG 3.27Å; Y69-S381 VanDerWaalsContact CZ-OG 3.25Å; Y69-S381 PolarHBondContact OH-OG 2.04Å; Y69-P382 WeakPolarHBondContact OH-CB 3.38Å; Y69-P382 VanDerWaalsContact OH-CD 3.27Å; Y69-P382 WeakPolarHBondContact OH-CD 3.38Å; Y69-S437 WeakPolarHBondContact CE2-O 3.37Å; Y69-L439 HydrophobicContact CD2-CB 3.85Å; Y69-L439 HydrophobicContact CE2-CB 4.33Å; Y69-L439 HydrophobicContact CG-CB 4.31Å; Y69-L449 HydrophobicContact CD2-CD1 3.69Å
70	D	89.3	Confident	78.3	Confident	70 Å²	70	73.7 Å²	73.7	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-43.6	177.1	-97.7	25.8	0	0	0	112.6	Q66 L68 N73 R74	Q66-D70 PolarHBondContact O-N 3.17Å; L68-D70 VanDerWaalsContact C-N 3.32Å; L68-D70 PolarHBondContact O-N 3.4Å; D70-N73 PolarHBondContact O-N 2.83Å; D70-R74 WeakPolarHBondContact O-CB 3.27Å; D70-R74 VanDerWaalsContact O-CG 3.29Å; D70-R74 WeakPolarHBondContact O-CG 3.44Å; D70-R74 PolarHBondContact O-N 3.26Å; D70-R74 IonicContact OD2-CZ 2.62Å; D70-R74 IonicContact OD2-NE 3.75Å; D70-R74 IonicContact OD2-NH2 2.99Å; D70-R74 PolarHBondContact OD2-NH2 2.73Å
71	K	85.4	Confident	77.4	Confident	127 Å²	127	76.2 Å²	76.2	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-59.5	-46.8	176.8	179.8	-173.5	175.6	-170.2	0	110.7	M67 L68 Y69 R74 A75	M67-K71 VanDerWaalsContact O-CB 3.28Å; M67-K71 WeakPolarHBondContact O-CB 3.44Å; M67-K71 PolarHBondContact O-N 3.41Å; L68-K71 WeakPolarHBondContact O-CB 3.05Å; L68-K71 PolarHBondContact O-N 3.23Å; L68-K71 VanDerWaalsContact O-N 3.1Å; Y69-K71 PolarHBondContact O-N 3.33Å; K71-R74 PolarHBondContact O-N 3.29Å; K71-A75 WeakPolarHBondContact O-CB 3.06Å; K71-A75 PolarHBondContact O-N 3Å; K71-A75 VanDerWaalsContact O-N 3.09Å
72	Y	80.8	Confident	76.8	Confident	28 Å²	28	76.5 Å²	76.5	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-37.1	-178.7	-70.2	-67.3	0	0	0	112.5	L68 Y69 F79 L449	L68-Y72 HydrophobicContact CB-CD2 4.38Å; L68-Y72 HydrophobicContact CB-CE2 4.07Å; L68-Y72 HydrophobicContact CD2-CE2 4.14Å; L68-Y72 WeakPolarHBondContact O-CD2 3.11Å; L68-Y72 PolarHBondContact O-N 2.91Å; Y69-Y72 PolarHBondContact O-N 2.78Å; Y72-F79 AromaticContact CD1-CD2 3.62Å; Y72-F79 HydrophobicContact CD1-CD2 3.62Å; Y72-F79 AromaticContact CD1-CE2 3.56Å; Y72-F79 HydrophobicContact CD1-CE2 3.56Å; Y72-F79 HydrophobicContact CD1-CG 4.4Å; Y72-F79 HydrophobicContact CD1-CZ 4.3Å; Y72-F79 AromaticContact CD2-CE2 3.77Å; Y72-F79 HydrophobicContact CD2-CE2 3.77Å; Y72-F79 HydrophobicContact CD2-CZ 4.08Å; Y72-F79 HydrophobicContact CE1-CD1 4.22Å; Y72-F79 AromaticContact CE1-CD2 3.53Å; Y72-F79 HydrophobicContact CE1-CD2 3.53Å; Y72-F79 HydrophobicContact CE1-CE1 4.18Å; Y72-F79 AromaticContact CE1-CE2 3.47Å; Y72-F79 HydrophobicContact CE1-CE2 3.47Å; Y72-F79 VanDerWaalsContact CE1-CE2 3.47Å; Y72-F79 AromaticContact CE1-CG 3.91Å; Y72-F79 HydrophobicContact CE1-CG 3.91Å; Y72-F79 AromaticContact CE1-CZ 3.8Å; Y72-F79 HydrophobicContact CE1-CZ 3.8Å; Y72-F79 HydrophobicContact CE2-CE1 4.36Å; Y72-F79 AromaticContact CE2-CE2 3.7Å; Y72-F79 HydrophobicContact CE2-CE2 3.7Å; Y72-F79 AromaticContact CE2-CZ 3.56Å; Y72-F79 HydrophobicContact CE2-CZ 3.56Å; Y72-F79 HydrophobicContact CG-CD2 4.21Å; Y72-F79 AromaticContact CG-CE2 3.72Å; Y72-F79 HydrophobicContact CG-CE2 3.72Å; Y72-F79 HydrophobicContact CG-CZ 4.44Å; Y72-F79 AromaticContact CZ-CE1 3.81Å; Y72-F79 AromaticContact CZ-CE2 3.55Å; Y72-F79 AromaticContact CZ-CZ 3.4Å; Y72-L449 HydrophobicContact CD2-CD2 3.44Å; Y72-L449 VanDerWaalsContact CD2-CD2 3.44Å; Y72-L449 HydrophobicContact CE2-CD2 3.74Å; Y72-L449 HydrophobicContact CG-CD2 4.5Å
73	N	83.6	Confident	76.8	Confident	74 Å²	74	76.9 Å²	76.9	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-69.5	-38.2	177	-75	-8.7	0	0	0	113.2	Y69 D70 S437	Y69-N73 WeakPolarHBondContact CE1-ND2 3.48Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.37Å; Y69-N73 PolarHBondContact O-N 3.22Å; Y69-N73 PolarHBondContact OH-ND2 2.87Å; Y69-N73 VanDerWaalsContact OH-ND2 3.1Å; D70-N73 PolarHBondContact O-N 2.83Å; N73-S437 WeakPolarHBondContact OD1-CB 3.45Å
74	R	77.8	Confident	76.9	Confident	204 Å²	204	72.5 Å²	72.5	77%	0.77	37%	0.365	S	S	*	.	H	α-helix	trans	-76.2	-33	-179.5	-69.5	179.6	-154.1	-155.6	7.9	113.2	D70 K71 G76	D70-R74 WeakPolarHBondContact O-CB 3.27Å; D70-R74 VanDerWaalsContact O-CG 3.29Å; D70-R74 WeakPolarHBondContact O-CG 3.44Å; D70-R74 PolarHBondContact O-N 3.26Å; D70-R74 IonicContact OD2-CZ 2.62Å; D70-R74 IonicContact OD2-NE 3.75Å; D70-R74 IonicContact OD2-NH2 2.99Å; D70-R74 PolarHBondContact OD2-NH2 2.73Å; K71-R74 PolarHBondContact O-N 3.29Å; R74-G76 PolarHBondContact O-N 3.42Å
75	A	60.7	Low	77.1	Confident	46 Å²	46	70.7 Å²	70.7	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-80.8	-16.1	-166.9	0	0	0	0	0	113	K71 F77	K71-A75 WeakPolarHBondContact O-CB 3.06Å; K71-A75 PolarHBondContact O-N 3Å; K71-A75 VanDerWaalsContact O-N 3.09Å; A75-F77 HydrophobicContact CB-CD2 3.75Å; A75-F77 WeakPolarHBondContact O-CD2 3.35Å; A75-F77 WeakPolarHBondContact O-CE2 3.09Å; A75-F77 PolarHBondContact O-N 3.37Å
76	G	56.1	Low	77.2	Confident	73 Å²	73	71.2 Å²	71.2	75%	0.753	36%	0.358	S	S	*	.			trans	57.6	9.8	-177.7	0	0	0	0	0	113.8	R74	R74-G76 PolarHBondContact O-N 3.42Å
77	F	50.4	Low	77.3	Confident	147 Å²	147	67.7 Å²	67.7	65%	0.645	34%	0.342	S	S	*	.			trans	-90.4	132.5	-178.9	-78.1	-79.4	0	0	0	108.8	A75 F79	A75-F77 HydrophobicContact CB-CD2 3.75Å; A75-F77 WeakPolarHBondContact O-CD2 3.35Å; A75-F77 WeakPolarHBondContact O-CE2 3.09Å; A75-F77 PolarHBondContact O-N 3.37Å; F77-F79 PolarHBondContact O-N 3.17Å
78	P	55.8	Low	77.5	Confident	106 Å²	106	61.9 Å²	61.9	69%	0.688	31%	0.313	S	S	*	.			trans	-57.7	138.6	162.4	25	-29.9	0	0	0	107.7	R80	P78-R80 PolarHBondContact O-N 2.98Å
79	F	61	Low	77.5	Confident	30 Å²	30	65.5 Å²	65.5	13%	0.132	33%	0.328	C	S	.	.			trans	-44.4	114.2	167.8	-105.3	-109.8	0	0	0	108.5	Y72 F77 D81 G82 V85 Y230 L449 V451	Y72-F79 AromaticContact CD1-CD2 3.62Å; Y72-F79 HydrophobicContact CD1-CD2 3.62Å; Y72-F79 AromaticContact CD1-CE2 3.56Å; Y72-F79 HydrophobicContact CD1-CE2 3.56Å; Y72-F79 HydrophobicContact CD1-CG 4.4Å; Y72-F79 HydrophobicContact CD1-CZ 4.3Å; Y72-F79 AromaticContact CD2-CE2 3.77Å; Y72-F79 HydrophobicContact CD2-CE2 3.77Å; Y72-F79 HydrophobicContact CD2-CZ 4.08Å; Y72-F79 HydrophobicContact CE1-CD1 4.22Å; Y72-F79 AromaticContact CE1-CD2 3.53Å; Y72-F79 HydrophobicContact CE1-CD2 3.53Å; Y72-F79 HydrophobicContact CE1-CE1 4.18Å; Y72-F79 AromaticContact CE1-CE2 3.47Å; Y72-F79 HydrophobicContact CE1-CE2 3.47Å; Y72-F79 VanDerWaalsContact CE1-CE2 3.47Å; Y72-F79 AromaticContact CE1-CG 3.91Å; Y72-F79 HydrophobicContact CE1-CG 3.91Å; Y72-F79 AromaticContact CE1-CZ 3.8Å; Y72-F79 HydrophobicContact CE1-CZ 3.8Å; Y72-F79 HydrophobicContact CE2-CE1 4.36Å; Y72-F79 AromaticContact CE2-CE2 3.7Å; Y72-F79 HydrophobicContact CE2-CE2 3.7Å; Y72-F79 AromaticContact CE2-CZ 3.56Å; Y72-F79 HydrophobicContact CE2-CZ 3.56Å; Y72-F79 HydrophobicContact CG-CD2 4.21Å; Y72-F79 AromaticContact CG-CE2 3.72Å; Y72-F79 HydrophobicContact CG-CE2 3.72Å; Y72-F79 HydrophobicContact CG-CZ 4.44Å; Y72-F79 AromaticContact CZ-CE1 3.81Å; Y72-F79 AromaticContact CZ-CE2 3.55Å; Y72-F79 AromaticContact CZ-CZ 3.4Å; F77-F79 PolarHBondContact O-N 3.17Å; F79-D81 HydrophobicContact CD1-CB 4.35Å; F79-D81 PolarHBondContact O-N 2.94Å; F79-G82 WeakPolarHBondContact CB-O 3.2Å; F79-G82 WeakPolarHBondContact CD1-O 3.34Å; F79-G82 VanDerWaalsContact CG-O 3.25Å; F79-G82 WeakPolarHBondContact CG-O 3.4Å; F79-V85 HydrophobicContact CE1-CG2 3.36Å; F79-V85 HydrophobicContact CZ-CG2 3.41Å; F79-V85 VanDerWaalsContact CZ-CG2 3.41Å; F79-Y230 HydrophobicContact CE1-CD1 4.2Å; F79-L449 HydrophobicContact CE2-CD2 4.48Å; F79-L449 HydrophobicContact CZ-CD2 4.32Å; F79-V451 HydrophobicContact CD2-CG2 3.75Å; F79-V451 HydrophobicContact CE2-CG2 3.77Å
80	R	58.3	Low	77.3	Confident	231 Å²	231	65.1 Å²	65.1	87%	0.872	33%	0.329	S	S	*	.	S	Bend	trans	-74.5	-11	163.6	-71.8	-165	174.8	-151.1	0.2	111.5	P78	P78-R80 PolarHBondContact O-N 2.98Å
81	D	64.5	Low	77.1	Confident	81 Å²	81	66.2 Å²	66.2	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	-113.1	13.4	-168.8	-51.1	-42.8	0	0	0	113.9	F79 L115 Y230	F79-D81 HydrophobicContact CD1-CB 4.35Å; F79-D81 PolarHBondContact O-N 2.94Å; D81-L115 VanDerWaalsContact C-CD1 3.48Å; D81-L115 VanDerWaalsContact O-CD1 3.3Å; D81-L115 WeakPolarHBondContact O-CD1 3.47Å; D81-Y230 HydrophobicContact CB-CD1 4.19Å; D81-Y230 WeakPolarHBondContact O-CB 3.44Å
82	G	74.7	Confident	76.9	Confident	15 Å²	15	65.4 Å²	65.4	16%	0.155	33%	0.326	C	S	.	.			trans	133.4	-157.1	178.7	0	0	0	0	0	115.8	F79 A231	F79-G82 WeakPolarHBondContact CB-O 3.2Å; F79-G82 WeakPolarHBondContact CD1-O 3.34Å; F79-G82 VanDerWaalsContact CG-O 3.25Å; F79-G82 WeakPolarHBondContact CG-O 3.4Å; G82-A231 CarbonylContact C-O 3.57Å; G82-A231 WeakPolarHBondContact CA-O 3.27Å
83	N	86.6	Confident	77	Confident	26 Å²	26	65 Å²	65	14%	0.139	33%	0.329	C	S	.	.	S	Bend	trans	-131	-6.1	169.8	68.1	4.9	0	0	0	112.2	A231 N232 D233 I236 K450 V451	N83-A231 PolarHBondContact N-O 2.62Å; N83-A231 PolarHBondContact OD1-O 3.12Å; N83-N232 PolarHBondContact ND2-OD1 2.76Å; N83-N232 WeakPolarHBondContact OD1-CA 3.15Å; N83-D233 PolarHBondContact ND2-N 2.87Å; N83-D233 PolarHBondContact ND2-O 3.13Å; N83-D233 PolarHBondContact OD1-N 3.32Å; N83-I236 WeakPolarHBondContact ND2-CD1 3.23Å; N83-K450 WeakPolarHBondContact O-CA 3.39Å; N83-V451 PolarHBondContact O-N 3.06Å
84	T	90.6	Very high	76.8	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.1	-174.3	-54.9	0	0	0	0	109.4	R86 A231 V448 L449 K450	T84-R86 HydrophobicContact CG2-CG 4.23Å; T84-A231 PolarHBondContact N-O 3.07Å; T84-A231 PolarHBondContact O-N 3.02Å; T84-A231 VanDerWaalsContact O-O 3.13Å; T84-V448 HydrophobicContact CG2-CG1 4.02Å; T84-L449 CarbonylContact C-O 3.59Å; T84-L449 WeakPolarHBondContact CA-O 3.03Å; T84-K450 HydrophobicContact CG2-CD 4.15Å; T84-K450 HydrophobicContact CG2-CG 4.39Å
85	V	92.7	Very high	76.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.2	171.1	-177.8	0	0	0	0	108.4	M65 L68 F79 V229 Y230 V448 L449	M65-V85 HydrophobicContact CE-CB 4.45Å; M65-V85 HydrophobicContact CE-CG1 4.11Å; M65-V85 HydrophobicContact SD-CG1 4.2Å; L68-V85 HydrophobicContact CD1-CG1 4.49Å; F79-V85 HydrophobicContact CE1-CG2 3.36Å; F79-V85 HydrophobicContact CZ-CG2 3.41Å; F79-V85 VanDerWaalsContact CZ-CG2 3.41Å; V85-V229 CarbonylContact C-O 3.59Å; V85-V229 VanDerWaalsContact CA-O 3.26Å; V85-V229 WeakPolarHBondContact CA-O 3.48Å; V85-Y230 HydrophobicContact CG1-CD1 4.37Å; V85-Y230 HydrophobicContact CG1-CE1 4.18Å; V85-Y230 HydrophobicContact CG2-CD1 3.4Å; V85-Y230 VanDerWaalsContact CG2-CD1 3.4Å; V85-Y230 HydrophobicContact CG2-CE1 3.6Å; V85-Y230 HydrophobicContact CG2-CG 4.2Å; V85-V448 CarbonylContact O-C 3.47Å; V85-V448 WeakPolarHBondContact O-CA 3.47Å; V85-L449 HydrophobicContact CB-CB 4.27Å; V85-L449 PolarHBondContact N-O 3.39Å; V85-L449 PolarHBondContact O-N 3.36Å
86	R	92.8	Very high	76.9	Confident	11 Å²	11	59.5 Å²	59.5	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.8	176.1	-68.7	175.9	174.1	-86.8	0.8	110	T84 F88 S107 E112 L228 V229 D442 V448	T84-R86 HydrophobicContact CG2-CG 4.23Å; R86-F88 HydrophobicContact CB-CD2 4.46Å; R86-F88 HydrophobicContact CB-CE2 3.63Å; R86-F88 HydrophobicContact CB-CZ 3.81Å; R86-S107 PolarHBondContact NH1-O 2.51Å; R86-S107 PolarHBondContact NH1-OG 2.65Å; R86-E112 WeakPolarHBondContact CD-OE2 3.47Å; R86-E112 IonicContact CZ-OE1 2.98Å; R86-E112 VanDerWaalsContact CZ-OE1 3.23Å; R86-E112 IonicContact CZ-OE2 3.31Å; R86-E112 IonicContact NE-OE1 3.23Å; R86-E112 PolarHBondContact NE-OE1 3.11Å; R86-E112 IonicContact NE-OE2 3.64Å; R86-E112 PolarHBondContact NE-OE2 2.97Å; R86-E112 IonicContact NH2-OE1 2.65Å; R86-E112 PolarHBondContact NH2-OE1 3.27Å; R86-E112 IonicContact NH2-OE2 3.79Å; R86-L228 WeakPolarHBondContact O-CA 3.49Å; R86-V229 PolarHBondContact N-O 2.93Å; R86-V229 PolarHBondContact O-N 3.47Å; R86-D442 IonicContact CZ-OD2 3.84Å; R86-D442 IonicContact NH1-OD2 2.9Å; R86-D442 PolarHBondContact NH1-OD2 3.1Å; R86-V448 HydrophobicContact CG-CG1 3.94Å; R86-V448 HydrophobicContact CG-CG2 3.98Å
87	S	93.8	Very high	77.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.4	170.9	65	0	0	0	0	110.3	M61 I227 N446 V447	M61-S87 WeakPolarHBondContact CE-OG 3.27Å; M61-S87 VanDerWaalsContact SD-CB 3.59Å; M61-S87 PolarHBondContact SD-OG 2.99Å; M61-S87 VanDerWaalsContact SD-OG 3.37Å; S87-I227 CarbonylContact C-O 3.49Å; S87-I227 WeakPolarHBondContact CA-O 2.95Å; S87-N446 VanDerWaalsContact O-CB 3.27Å; S87-N446 WeakPolarHBondContact O-CB 3.37Å; S87-N446 PolarHBondContact O-OD1 2.92Å; S87-V447 WeakPolarHBondContact CB-O 3.33Å; S87-V447 PolarHBondContact N-O 2.96Å; S87-V447 WeakPolarHBondContact OG-CA 3.31Å; S87-V447 WeakPolarHBondContact OG-CB 3.12Å; S87-V447 PolarHBondContact OG-N 3.3Å; S87-V447 PolarHBondContact OG-O 3.1Å
88	F	92.3	Very high	78.7	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.2	177.1	-61.9	-79.1	0	0	0	109.3	R86 F103 N104 L105 L108 Y226 I227 V229	R86-F88 HydrophobicContact CB-CD2 4.46Å; R86-F88 HydrophobicContact CB-CE2 3.63Å; R86-F88 HydrophobicContact CB-CZ 3.81Å; F88-F103 HydrophobicContact CB-CD1 4.43Å; F88-N104 WeakPolarHBondContact CD1-O 3.38Å; F88-L105 HydrophobicContact CD1-CG 4.26Å; F88-L105 HydrophobicContact CD2-CD2 4.38Å; F88-L105 HydrophobicContact CD2-CG 4.02Å; F88-L105 HydrophobicContact CE1-CB 4.3Å; F88-L105 HydrophobicContact CE1-CG 4.42Å; F88-L105 HydrophobicContact CE2-CD2 4.44Å; F88-L105 HydrophobicContact CE2-CG 4.19Å; F88-L105 HydrophobicContact CG-CG 4.04Å; F88-L105 HydrophobicContact CZ-CB 4.31Å; F88-L105 HydrophobicContact CZ-CG 4.39Å; F88-L108 HydrophobicContact CE2-CD2 4.26Å; F88-L108 HydrophobicContact CE2-CG 4.27Å; F88-L108 HydrophobicContact CZ-CD2 4.07Å; F88-L108 HydrophobicContact CZ-CG 3.84Å; F88-Y226 CarbonylContact O-C 3.47Å; F88-Y226 WeakPolarHBondContact O-CA 3.36Å; F88-Y226 WeakPolarHBondContact O-CB 3.15Å; F88-I227 HydrophobicContact CB-CB 4.37Å; F88-I227 PolarHBondContact N-O 3.41Å; F88-I227 PolarHBondContact O-N 2.56Å; F88-V229 HydrophobicContact CD2-CG2 3.87Å; F88-V229 HydrophobicContact CE2-CB 4.15Å; F88-V229 HydrophobicContact CE2-CG2 3.66Å
89	K	89.3	Confident	79.8	Confident	86 Å²	86	62.6 Å²	62.6	37%	0.374	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.3	179.6	-173.8	165.4	173	152.1	0	111	D59 M61 S224	D59-K89 IonicContact OD1-NZ 3.13Å; D59-K89 PolarHBondContact OD1-NZ 3.03Å; D59-K89 VanDerWaalsContact OD1-NZ 3.13Å; D59-K89 WeakPolarHBondContact OD2-CD 3.36Å; D59-K89 IonicContact OD2-NZ 2.67Å; D59-K89 PolarHBondContact OD2-NZ 3.28Å; M61-K89 HydrophobicContact SD-CB 4.38Å; K89-S224 WeakPolarHBondContact CE-OG 3.42Å
90	A	87.6	Confident	80.8	Confident	12 Å²	12	61.4 Å²	61.4	10%	0.099	30%	0.299	C	S	.	.			trans	-70.5	139.7	173.4	0	0	0	0	0	111.4	Q101 V102 F103 P225	A90-Q101 HydrophobicContact CB-CB 4.09Å; A90-Q101 HydrophobicContact CB-CG 4.31Å; A90-V102 WeakPolarHBondContact CA-O 3.39Å; A90-F103 HydrophobicContact CB-CD1 4.23Å; A90-F103 HydrophobicContact CB-CE1 3.61Å; A90-F103 HydrophobicContact CB-CE2 4.13Å; A90-F103 HydrophobicContact CB-CZ 3.58Å; A90-P225 HydrophobicContact CB-CG 4.03Å; A90-P225 WeakPolarHBondContact CB-O 3.48Å; A90-P225 PolarHBondContact N-O 3.27Å
91	H	85	Confident	82	Confident	93 Å²	93	50.8 Å²	50.8	43%	0.431	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.9	163.1	62	-83.1	0	0	0	110.2	G93 Q101 V102	H91-G93 PolarHBondContact O-N 2.96Å; H91-Q101 CarbonylContact O-C 3.58Å; H91-Q101 WeakPolarHBondContact O-CA 3.39Å; H91-V102 PolarHBondContact CE1-O 3.06Å; H91-V102 PolarHBondContact N-O 2.99Å; H91-V102 PolarHBondContact ND1-O 3.11Å; H91-V102 PolarHBondContact O-N 3.2Å
92	W	81.7	Confident	83.1	Confident	110 Å²	110	47.2 Å²	47.2	42%	0.417	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.6	175.2	-70.6	103.9	0	0	0	110	Q101 L220	W92-Q101 HydrophobicContact CD2-CG 3.98Å; W92-Q101 HydrophobicContact CE3-CG 3.8Å; W92-Q101 HydrophobicContact CH2-CG 3.91Å; W92-Q101 HydrophobicContact CZ2-CG 4.08Å; W92-Q101 HydrophobicContact CZ3-CG 3.77Å; W92-L220 HydrophobicContact CH2-CB 3.98Å; W92-L220 HydrophobicContact CH2-CD1 4.11Å; W92-L220 HydrophobicContact CZ2-CB 3.68Å
93	G	81.1	Confident	83.8	Confident	18 Å²	18	46.5 Å²	46.5	19%	0.186	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.3	176.8	0	0	0	0	0	111.2	H91 L100	H91-G93 PolarHBondContact O-N 2.96Å; G93-L100 PolarHBondContact N-O 3.11Å; G93-L100 PolarHBondContact O-N 3.11Å
94	T	80.3	Confident	83.9	Confident	97 Å²	97	47.6 Å²	47.6	60%	0.595	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.5	173	-55	0	0	0	0	108.8	K98	T94-K98 WeakPolarHBondContact CA-O 3.42Å
95	I	70.9	Confident	83.9	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.046	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.6	179	-55.8	163.7	0	0	0	107.5	N97 K98 L100 V102 F157 M164	I95-N97 VanDerWaalsContact C-N 3.3Å; I95-N97 PolarHBondContact O-N 3.11Å; I95-K98 PolarHBondContact N-O 3.31Å; I95-K98 PolarHBondContact O-N 3.31Å; I95-L100 HydrophobicContact CB-CD1 4.19Å; I95-L100 HydrophobicContact CD1-CD1 4.26Å; I95-V102 HydrophobicContact CD1-CG1 4.46Å; I95-V102 HydrophobicContact CD1-CG2 3.48Å; I95-V102 VanDerWaalsContact CD1-CG2 3.48Å; I95-V102 HydrophobicContact CG1-CG2 4.29Å; I95-F157 HydrophobicContact CB-CE1 4.47Å; I95-F157 HydrophobicContact CB-CZ 4.36Å; I95-F157 HydrophobicContact CD1-CD2 3.76Å; I95-F157 HydrophobicContact CD1-CE2 3.58Å; I95-F157 HydrophobicContact CD1-CG 4.3Å; I95-F157 HydrophobicContact CD1-CZ 3.99Å; I95-F157 HydrophobicContact CG2-CD1 3.85Å; I95-F157 HydrophobicContact CG2-CE1 3.55Å; I95-F157 HydrophobicContact CG2-CG 4.46Å; I95-F157 HydrophobicContact CG2-CZ 3.91Å; I95-M164 HydrophobicContact CB-SD 4.38Å; I95-M164 HydrophobicContact CD1-CE 3.32Å; I95-M164 HydrophobicContact CD1-SD 4.06Å; I95-M164 HydrophobicContact CG1-CE 3.72Å; I95-M164 HydrophobicContact CG1-SD 3.76Å; I95-M164 HydrophobicContact CG2-CB 4.1Å; I95-M164 HydrophobicContact CG2-CE 4.27Å; I95-M164 HydrophobicContact CG2-CG 3.86Å; I95-M164 HydrophobicContact CG2-SD 3.78Å
96	N	69.1	Low	83.6	Confident	104 Å²	104	51.2 Å²	51.2	56%	0.556	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	45.5	-178.9	-61.2	-19.1	0	0	0	113.3	K98	N96-K98 PolarHBondContact O-N 2.95Å; N96-K98 VanDerWaalsContact O-N 3.1Å
97	N	71.8	Confident	83.3	Confident	163 Å²	163	51.3 Å²	51.3	87%	0.872	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	13.9	-175.8	-69.2	2.9	0	0	0	115.6	I95	I95-N97 VanDerWaalsContact C-N 3.3Å; I95-N97 PolarHBondContact O-N 3.11Å
98	K	72.3	Confident	83.1	Confident	111 Å²	111	51.8 Å²	51.8	48%	0.483	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.5	170.6	-66.7	-174.7	175.8	-173	0	110.2	T94 I95 N96 L100 D207	T94-K98 WeakPolarHBondContact CA-O 3.42Å; I95-K98 PolarHBondContact N-O 3.31Å; I95-K98 PolarHBondContact O-N 3.31Å; N96-K98 PolarHBondContact O-N 2.95Å; N96-K98 VanDerWaalsContact O-N 3.1Å; K98-L100 HydrophobicContact CB-CD2 4.38Å; K98-L100 HydrophobicContact CB-CG 4.28Å; K98-L100 PolarHBondContact O-N 2.98Å; K98-D207 IonicContact NZ-OD2 3.96Å
99	Q	79.3	Confident	82.8	Confident	117 Å²	117	53.4 Å²	53.4	55%	0.547	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	116.8	169.1	-76.3	-177.2	-27.9	0	0	109.2
100	L	82.1	Confident	82.6	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.4	-179.1	-59.9	178.2	0	0	0	109.7	G93 I95 K98 V102 F157 D207	G93-L100 PolarHBondContact N-O 3.11Å; G93-L100 PolarHBondContact O-N 3.11Å; I95-L100 HydrophobicContact CB-CD1 4.19Å; I95-L100 HydrophobicContact CD1-CD1 4.26Å; K98-L100 HydrophobicContact CB-CD2 4.38Å; K98-L100 HydrophobicContact CB-CG 4.28Å; K98-L100 PolarHBondContact O-N 2.98Å; L100-V102 HydrophobicContact CB-CG2 4.48Å; L100-F157 HydrophobicContact CD1-CE2 4.02Å; L100-F157 HydrophobicContact CD1-CZ 3.65Å; L100-D207 HydrophobicContact CD2-CB 3.37Å
101	Q	84.2	Confident	82.6	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.033	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.9	164.4	-83.6	-167.3	-20.1	0	0	109.5	A90 H91 W92 G205 I206 L220	A90-Q101 HydrophobicContact CB-CB 4.09Å; A90-Q101 HydrophobicContact CB-CG 4.31Å; H91-Q101 CarbonylContact O-C 3.58Å; H91-Q101 WeakPolarHBondContact O-CA 3.39Å; W92-Q101 HydrophobicContact CD2-CG 3.98Å; W92-Q101 HydrophobicContact CE3-CG 3.8Å; W92-Q101 HydrophobicContact CH2-CG 3.91Å; W92-Q101 HydrophobicContact CZ2-CG 4.08Å; W92-Q101 HydrophobicContact CZ3-CG 3.77Å; Q101-G205 CarbonylContact O-C 3.56Å; Q101-G205 WeakPolarHBondContact O-CA 3.44Å; Q101-I206 PolarHBondContact N-O 2.6Å; Q101-I206 PolarHBondContact O-N 3.08Å; Q101-L220 PolarHBondContact NE2-O 2.8Å; Q101-L220 VanDerWaalsContact NE2-O 3.13Å
102	V	86.6	Confident	82.9	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.2	-173.9	-173.3	0	0	0	0	109.1	A90 H91 I95 L100 I204	A90-V102 WeakPolarHBondContact CA-O 3.39Å; H91-V102 PolarHBondContact CE1-O 3.06Å; H91-V102 PolarHBondContact N-O 2.99Å; H91-V102 PolarHBondContact ND1-O 3.11Å; H91-V102 PolarHBondContact O-N 3.2Å; I95-V102 HydrophobicContact CD1-CG1 4.46Å; I95-V102 HydrophobicContact CD1-CG2 3.48Å; I95-V102 VanDerWaalsContact CD1-CG2 3.48Å; I95-V102 HydrophobicContact CG1-CG2 4.29Å; L100-V102 HydrophobicContact CB-CG2 4.48Å; V102-I204 CarbonylContact C-O 3.51Å; V102-I204 WeakPolarHBondContact CA-O 3.31Å
103	F	89.7	Confident	83.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.6	172.5	-61.6	-91.9	0	0	0	107.4	F88 A90 L105 L119 I204 I206 P225 I227	F88-F103 HydrophobicContact CB-CD1 4.43Å; A90-F103 HydrophobicContact CB-CD1 4.23Å; A90-F103 HydrophobicContact CB-CE1 3.61Å; A90-F103 HydrophobicContact CB-CE2 4.13Å; A90-F103 HydrophobicContact CB-CZ 3.58Å; F103-L105 HydrophobicContact CB-CD1 3.51Å; F103-L105 WeakPolarHBondContact O-CD1 3.23Å; F103-L119 HydrophobicContact CE2-CD1 4.46Å; F103-L119 HydrophobicContact CZ-CD1 3.96Å; F103-I204 HydrophobicContact CB-CB 4.42Å; F103-I204 PolarHBondContact N-O 2.83Å; F103-I204 PolarHBondContact O-N 2.92Å; F103-I204 VanDerWaalsContact O-N 3.11Å; F103-I206 HydrophobicContact CD2-CD1 4.31Å; F103-I206 HydrophobicContact CD2-CG1 4.31Å; F103-I206 HydrophobicContact CE2-CD1 3.4Å; F103-I206 VanDerWaalsContact CE2-CD1 3.4Å; F103-I206 HydrophobicContact CE2-CG1 3.7Å; F103-I206 HydrophobicContact CZ-CD1 4.01Å; F103-P225 HydrophobicContact CZ-CB 4.33Å; F103-P225 HydrophobicContact CZ-CG 4.1Å; F103-I227 HydrophobicContact CB-CD1 4Å; F103-I227 HydrophobicContact CD1-CB 4.45Å; F103-I227 HydrophobicContact CD1-CD1 3.67Å; F103-I227 HydrophobicContact CD1-CG1 3.85Å; F103-I227 HydrophobicContact CD2-CD1 3.83Å; F103-I227 HydrophobicContact CE1-CD1 4.02Å; F103-I227 HydrophobicContact CE1-CG1 3.81Å; F103-I227 HydrophobicContact CE2-CD1 4.21Å; F103-I227 HydrophobicContact CG-CD1 3.54Å; F103-I227 HydrophobicContact CG-CG1 4.24Å; F103-I227 HydrophobicContact CZ-CD1 4.26Å; F103-I227 HydrophobicContact CZ-CG1 4.17Å
104	N	89.5	Confident	83.9	Confident	50 Å²	50	53.4 Å²	53.4	27%	0.267	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	106	172.7	-175.8	8.4	0	0	0	109	F88 T106 L203	F88-N104 WeakPolarHBondContact CD1-O 3.38Å; N104-T106 VanDerWaalsContact CG-OG1 3.22Å; N104-T106 PolarHBondContact ND2-OG1 3.3Å; N104-T106 VanDerWaalsContact OD1-CB 3.27Å; N104-T106 WeakPolarHBondContact OD1-CB 3.34Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 3.09Å; N104-T106 VanDerWaalsContact OD1-N 3.08Å; N104-T106 PolarHBondContact OD1-OG1 2.84Å; N104-L203 HydrophobicContact CB-CD2 4.21Å
105	L	89.7	Confident	84.4	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.277	C	S	.	.			trans	-99.6	13.9	178.4	-65.3	77.1	0	0	0	111.9	F88 F103 S107 L108 V193 L202 I204 V229	F88-L105 HydrophobicContact CD1-CG 4.26Å; F88-L105 HydrophobicContact CD2-CD2 4.38Å; F88-L105 HydrophobicContact CD2-CG 4.02Å; F88-L105 HydrophobicContact CE1-CB 4.3Å; F88-L105 HydrophobicContact CE1-CG 4.42Å; F88-L105 HydrophobicContact CE2-CD2 4.44Å; F88-L105 HydrophobicContact CE2-CG 4.19Å; F88-L105 HydrophobicContact CG-CG 4.04Å; F88-L105 HydrophobicContact CZ-CB 4.31Å; F88-L105 HydrophobicContact CZ-CG 4.39Å; F103-L105 HydrophobicContact CB-CD1 3.51Å; F103-L105 WeakPolarHBondContact O-CD1 3.23Å; L105-S107 PolarHBondContact O-N 2.85Å; L105-S107 VanDerWaalsContact O-N 3.11Å; L105-L108 HydrophobicContact CB-CD1 3.97Å; L105-L108 HydrophobicContact CB-CG 4.42Å; L105-L108 HydrophobicContact CD2-CD1 4.04Å; L105-L108 WeakPolarHBondContact O-CB 3.4Å; L105-L108 WeakPolarHBondContact O-CG 3.38Å; L105-L108 PolarHBondContact O-N 2.88Å; L105-V193 HydrophobicContact CD2-CG1 3.91Å; L105-V193 HydrophobicContact CD2-CG2 4.29Å; L105-L202 WeakPolarHBondContact CA-O 3.45Å; L105-L202 HydrophobicContact CB-CB 4.13Å; L105-L202 WeakPolarHBondContact CB-O 3.36Å; L105-L202 PolarHBondContact N-O 3.33Å; L105-I204 HydrophobicContact CD1-CB 4.18Å; L105-I204 HydrophobicContact CD1-CD1 3.99Å; L105-I204 HydrophobicContact CD1-CG1 4.06Å; L105-I204 HydrophobicContact CD2-CD1 3.89Å; L105-V229 HydrophobicContact CD2-CG2 4.4Å
106	T	87.1	Confident	85.4	Confident	75 Å²	75	54.3 Å²	54.3	46%	0.46	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.4	-177.2	49.6	0	0	0	0	113.9	N104 L108 L202	N104-T106 VanDerWaalsContact CG-OG1 3.22Å; N104-T106 PolarHBondContact ND2-OG1 3.3Å; N104-T106 VanDerWaalsContact OD1-CB 3.27Å; N104-T106 WeakPolarHBondContact OD1-CB 3.34Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; N104-T106 PolarHBondContact OD1-N 3.09Å; N104-T106 VanDerWaalsContact OD1-N 3.08Å; N104-T106 PolarHBondContact OD1-OG1 2.84Å; T106-L108 PolarHBondContact O-N 2.72Å; T106-L202 HydrophobicContact CG2-CB 4.06Å
107	S	86.9	Confident	86.6	Confident	13 Å²	13	49.4 Å²	49.4	9%	0.091	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.8	173.4	129.6	0	0	0	0	114.4	R86 L105 T109 D442 D444	R86-S107 PolarHBondContact NH1-O 2.51Å; R86-S107 PolarHBondContact NH1-OG 2.65Å; L105-S107 PolarHBondContact O-N 2.85Å; L105-S107 VanDerWaalsContact O-N 3.11Å; S107-T109 PolarHBondContact O-N 2.82Å; S107-D442 WeakPolarHBondContact CB-OD2 3.5Å; S107-D442 PolarHBondContact OG-OD2 3.32Å; S107-D444 WeakPolarHBondContact CB-OD2 3.43Å
108	L	88.2	Confident	87.5	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.052	23%	0.225	C	C	.	.			trans	-68.5	119	170.6	-73.1	174.9	0	0	0	111.1	F88 L105 T106 V193 L202 V229	F88-L108 HydrophobicContact CE2-CD2 4.26Å; F88-L108 HydrophobicContact CE2-CG 4.27Å; F88-L108 HydrophobicContact CZ-CD2 4.07Å; F88-L108 HydrophobicContact CZ-CG 3.84Å; L105-L108 HydrophobicContact CB-CD1 3.97Å; L105-L108 HydrophobicContact CB-CG 4.42Å; L105-L108 HydrophobicContact CD2-CD1 4.04Å; L105-L108 WeakPolarHBondContact O-CB 3.4Å; L105-L108 WeakPolarHBondContact O-CG 3.38Å; L105-L108 PolarHBondContact O-N 2.88Å; T106-L108 PolarHBondContact O-N 2.72Å; L108-V193 HydrophobicContact CD1-CG1 4.36Å; L108-L202 HydrophobicContact CB-CD2 4.42Å; L108-L202 HydrophobicContact CD1-CD2 4.18Å; L108-V229 HydrophobicContact CD2-CG1 4.17Å
109	T	86.9	Confident	88.3	Confident	34 Å²	34	37.4 Å²	37.4	21%	0.209	20%	0.202	C	C	.	.			trans	-81.4	158.4	-179.5	63.5	0	0	0	0	111.9	S107 S111 E112 K197	S107-T109 PolarHBondContact O-N 2.82Å; T109-S111 PolarHBondContact O-N 2.94Å; T109-S111 PolarHBondContact OG1-OG 3.16Å; T109-E112 PolarHBondContact N-OE2 2.85Å; T109-E112 PolarHBondContact O-N 3.48Å; T109-E112 VanDerWaalsContact OG1-CG 3.29Å; T109-E112 WeakPolarHBondContact OG1-CG 3.21Å; T109-K197 PolarHBondContact O-NZ 3.26Å
110	Q	85.8	Confident	88.7	Confident	170 Å²	170	32.6 Å²	32.6	79%	0.794	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.3	172.9	-70.2	-177.9	-9.4	0	0	112.9	E112	Q110-E112 VanDerWaalsContact C-N 3.27Å; Q110-E112 PolarHBondContact O-N 3.33Å
111	S	87.1	Confident	88.7	Confident	28 Å²	28	32.8 Å²	32.8	20%	0.196	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.7	-179.5	64	0	0	0	0	114.5	T109 D233 S234	T109-S111 PolarHBondContact O-N 2.94Å; T109-S111 PolarHBondContact OG1-OG 3.16Å; S111-D233 WeakPolarHBondContact CB-OD1 3.29Å; S111-D233 WeakPolarHBondContact O-CA 3.42Å; S111-D233 PolarHBondContact OG-OD1 3.31Å; S111-S234 PolarHBondContact O-N 3.23Å; S111-S234 PolarHBondContact O-OG 2.85Å
112	E	90.1	Very high	88.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	106.9	-176.2	-78.6	170.4	179.6	0	0	112.8	R86 T109 Q110 V114 K197 A231 N232 D233	R86-E112 WeakPolarHBondContact CD-OE2 3.47Å; R86-E112 IonicContact CZ-OE1 2.98Å; R86-E112 VanDerWaalsContact CZ-OE1 3.23Å; R86-E112 IonicContact CZ-OE2 3.31Å; R86-E112 IonicContact NE-OE1 3.23Å; R86-E112 PolarHBondContact NE-OE1 3.11Å; R86-E112 IonicContact NE-OE2 3.64Å; R86-E112 PolarHBondContact NE-OE2 2.97Å; R86-E112 IonicContact NH2-OE1 2.65Å; R86-E112 PolarHBondContact NH2-OE1 3.27Å; R86-E112 IonicContact NH2-OE2 3.79Å; T109-E112 PolarHBondContact N-OE2 2.85Å; T109-E112 PolarHBondContact O-N 3.48Å; T109-E112 VanDerWaalsContact OG1-CG 3.29Å; T109-E112 WeakPolarHBondContact OG1-CG 3.21Å; Q110-E112 VanDerWaalsContact C-N 3.27Å; Q110-E112 PolarHBondContact O-N 3.33Å; E112-V114 PolarHBondContact O-N 2.81Å; E112-K197 WeakPolarHBondContact O-CE 3.18Å; E112-K197 PolarHBondContact O-NZ 3.31Å; E112-A231 HydrophobicContact CB-CB 4.18Å; E112-N232 CarbonylContact C-O 3.56Å; E112-D233 HydrophobicContact CG-CB 3.71Å
113	D	91.3	Very high	87.7	Confident	96 Å²	96	34.4 Å²	34.4	51%	0.513	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.9	174.4	-67.6	-39.3	0	0	0	110.9	L115 A231 N232	D113-L115 PolarHBondContact O-N 2.86Å; D113-A231 CarbonylContact O-C 3.55Å; D113-A231 WeakPolarHBondContact O-CA 3.28Å; D113-A231 VanDerWaalsContact O-CB 3.32Å; D113-A231 WeakPolarHBondContact O-CB 3.41Å; D113-N232 PolarHBondContact N-O 2.79Å; D113-N232 PolarHBondContact O-N 2.85Å
114	V	92.5	Very high	86.2	Confident	26 Å²	26	36.1 Å²	36.1	16%	0.158	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.2	-179	177.2	0	0	0	0	110	E112 V193 K197 V229	E112-V114 PolarHBondContact O-N 2.81Å; V114-V193 HydrophobicContact CG1-CG1 4.2Å; V114-V193 HydrophobicContact CG2-CG1 4.39Å; V114-K197 HydrophobicContact CG2-CD 3.63Å; V114-V229 HydrophobicContact CG1-CG1 3.99Å; V114-V229 HydrophobicContact CG2-CG1 4.08Å
115	L	91.8	Very high	84.7	Confident	89 Å²	89	37 Å²	37	47%	0.466	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-47	179.2	-62.8	177	0	0	0	111.8	D81 D113 Y230 N232	D81-L115 VanDerWaalsContact C-CD1 3.48Å; D81-L115 VanDerWaalsContact O-CD1 3.3Å; D81-L115 WeakPolarHBondContact O-CD1 3.47Å; D113-L115 PolarHBondContact O-N 2.86Å; L115-Y230 PolarHBondContact N-O 2.68Å; L115-N232 HydrophobicContact CD1-CB 4.17Å
116	S	92.3	Very high	83	Confident	36 Å²	36	40 Å²	40	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.1	174.3	70	0	0	0	0	111.6	T190 Y230	S116-T190 WeakPolarHBondContact CA-OG1 3.3Å; S116-Y230 PolarHBondContact N-O 3.12Å; S116-Y230 VanDerWaalsContact N-O 3.15Å; S116-Y230 PolarHBondContact O-N 2.92Å; S116-Y230 WeakPolarHBondContact OG-CB 3.49Å; S116-Y230 WeakPolarHBondContact OG-CD2 3.26Å
117	A	92.8	Very high	81.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.6	174.5	0	0	0	0	0	111	I189 T190 V193 L228 V229	A117-I189 HydrophobicContact CB-CG1 3.96Å; A117-I189 WeakPolarHBondContact O-CG1 3.39Å; A117-I189 PolarHBondContact O-N 3.18Å; A117-T190 PolarHBondContact N-OG1 2.94Å; A117-T190 PolarHBondContact O-N 2.85Å; A117-V193 HydrophobicContact CB-CB 3.87Å; A117-V193 HydrophobicContact CB-CG1 4.27Å; A117-V193 HydrophobicContact CB-CG2 3.6Å; A117-L228 CarbonylContact C-O 3.57Å; A117-L228 WeakPolarHBondContact CA-O 3.07Å; A117-V229 HydrophobicContact CB-CG2 4.23Å
118	T	91.4	Very high	79.3	Confident	22 Å²	22	48.2 Å²	48.2	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.3	-175.2	53.9	0	0	0	0	111.3	H120 R187 I227 L228	T118-H120 PolarHBondContact O-ND1 2.85Å; T118-H120 PolarHBondContact OG1-CE1 2.77Å; T118-R187 CarbonylContact C-O 3.48Å; T118-R187 WeakPolarHBondContact CA-O 3.08Å; T118-I227 WeakPolarHBondContact O-CA 3.13Å; T118-L228 PolarHBondContact N-O 2.9Å; T118-L228 PolarHBondContact O-N 3.44Å
119	L	89.6	Confident	77.1	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.3	174.3	173.4	66.8	0	0	0	109.4	F103 Y121 I154 I172 W186 R187 I189 I206 P225 I227	F103-L119 HydrophobicContact CE2-CD1 4.46Å; F103-L119 HydrophobicContact CZ-CD1 3.96Å; L119-Y121 HydrophobicContact CD2-CD1 4.43Å; L119-Y121 HydrophobicContact CG-CD1 4.26Å; L119-I154 HydrophobicContact CD2-CD1 3.96Å; L119-I172 HydrophobicContact CD2-CD1 4.4Å; L119-W186 CarbonylContact O-C 3.47Å; L119-W186 WeakPolarHBondContact O-CA 3.4Å; L119-R187 PolarHBondContact N-O 3.06Å; L119-R187 PolarHBondContact O-N 3.36Å; L119-I189 HydrophobicContact CB-CD1 4.06Å; L119-I189 HydrophobicContact CB-CG1 4.29Å; L119-I189 HydrophobicContact CB-CG2 3.9Å; L119-I206 HydrophobicContact CD1-CD1 3.53Å; L119-I206 HydrophobicContact CD2-CD1 3.43Å; L119-I206 VanDerWaalsContact CD2-CD1 3.43Å; L119-I206 HydrophobicContact CG-CD1 4.12Å; L119-P225 HydrophobicContact CD1-CB 4.46Å; L119-I227 HydrophobicContact CD1-CG1 3.78Å
120	H	88	Confident	75	Confident	16 Å²	16	59 Å²	59	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.1	176.8	-68.3	75.9	0	0	0	110.7	H64 T118 Q185 P225 Y226	H64-H120 AromaticContact CE1-CD2 3.95Å; H64-H120 AromaticContact CE1-CE1 3.94Å; H64-H120 AromaticContact CE1-NE2 3.45Å; H64-H120 PolarHBondContact CE1-NE2 2.78Å; T118-H120 PolarHBondContact O-ND1 2.85Å; T118-H120 PolarHBondContact OG1-CE1 2.77Å; H120-Q185 WeakPolarHBondContact CA-O 3.45Å; H120-P225 WeakPolarHBondContact O-CA 3.48Å; H120-P225 WeakPolarHBondContact O-CB 3.48Å; H120-Y226 HydrophobicContact CB-CD1 4.29Å; H120-Y226 HydrophobicContact CB-CD2 3.95Å; H120-Y226 HydrophobicContact CB-CE1 3.9Å; H120-Y226 HydrophobicContact CB-CE2 3.51Å; H120-Y226 HydrophobicContact CB-CG 4.31Å; H120-Y226 VanDerWaalsContact CB-CZ 3.48Å; H120-Y226 AromaticContact CG-CE2 3.54Å; H120-Y226 AromaticContact CG-CZ 3.79Å; H120-Y226 PolarHBondContact N-O 2.68Å; H120-Y226 AromaticContact ND1-CE2 3.76Å; H120-Y226 PolarHBondContact O-N 3.25Å; H120-Y226 VanDerWaalsContact O-N 3.15Å
121	Y	82.2	Confident	73.2	Confident	8 Å²	8	59 Å²	59	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.2	-178	59.1	-82.2	0	0	0	111.8	L119 I123 M152 V174 Q185 R187	L119-Y121 HydrophobicContact CD2-CD1 4.43Å; L119-Y121 HydrophobicContact CG-CD1 4.26Å; Y121-I123 HydrophobicContact CD2-CD1 4.07Å; Y121-I123 HydrophobicContact CD2-CG1 3.79Å; Y121-I123 HydrophobicContact CE2-CD1 3.48Å; Y121-I123 VanDerWaalsContact CE2-CD1 3.48Å; Y121-I123 HydrophobicContact CE2-CG1 3.75Å; Y121-M152 HydrophobicContact CD1-CE 3.72Å; Y121-M152 HydrophobicContact CD2-CE 3.53Å; Y121-M152 HydrophobicContact CE1-CE 3.67Å; Y121-M152 HydrophobicContact CE2-CE 3.43Å; Y121-M152 VanDerWaalsContact CE2-CE 3.43Å; Y121-M152 HydrophobicContact CG-CE 3.67Å; Y121-V174 HydrophobicContact CE2-CG1 3.73Å; Y121-V174 HydrophobicContact CE2-CG2 3.94Å; Y121-V174 WeakPolarHBondContact OH-CG2 3.44Å; Y121-Q185 HydrophobicContact CE1-CB 4.3Å; Y121-Q185 HydrophobicContact CE2-CB 4.08Å; Y121-Q185 PolarHBondContact N-O 3.02Å; Y121-Q185 PolarHBondContact O-N 3.24Å; Y121-R187 HydrophobicContact CE1-CB 4.5Å; Y121-R187 HydrophobicContact CE1-CG 3.93Å; Y121-R187 PolarHBondContact OH-NH1 2.85Å
122	Y	78.1	Confident	70.9	Confident	30 Å²	30	68 Å²	68	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.3	-175.5	-174.1	-99.1	0	0	0	111.6	G124 D125 S183 W184 L219 R223	Y122-G124 VanDerWaalsContact CE1-N 3.31Å; Y122-D125 WeakPolarHBondContact CE1-OD2 3.39Å; Y122-S183 WeakPolarHBondContact CD2-O 3.38Å; Y122-W184 AromaticContact CD2-CD1 3.95Å; Y122-W184 AromaticContact CD2-CD2 3.9Å; Y122-W184 HydrophobicContact CD2-CD2 3.9Å; Y122-W184 AromaticContact CD2-CE2 3.63Å; Y122-W184 HydrophobicContact CD2-CG 4.1Å; Y122-W184 HydrophobicContact CD2-CZ2 4.08Å; Y122-W184 AromaticContact CD2-NE1 3.66Å; Y122-W184 HydrophobicContact CG-CZ2 4.46Å; Y122-L219 HydrophobicContact CD1-CD2 4.2Å; Y122-L219 HydrophobicContact CE1-CD2 4.3Å; Y122-R223 HydrophobicContact CG-CB 4.44Å
123	I	70.6	Confident	68.6	Low	18 Å²	18	72.2 Å²	72.2	9%	0.092	38%	0.38	C	S	.	.			trans	-121.5	-7.1	-177.3	-53.9	177.1	0	0	0	111.9	Y121 D125 L126 V174 T176 S183 Q185	Y121-I123 HydrophobicContact CD2-CD1 4.07Å; Y121-I123 HydrophobicContact CD2-CG1 3.79Å; Y121-I123 HydrophobicContact CE2-CD1 3.48Å; Y121-I123 VanDerWaalsContact CE2-CD1 3.48Å; Y121-I123 HydrophobicContact CE2-CG1 3.75Å; I123-D125 PolarHBondContact O-N 3.03Å; I123-L126 HydrophobicContact CG2-CD1 3.52Å; I123-L126 WeakPolarHBondContact O-CD1 3.42Å; I123-V174 HydrophobicContact CD1-CG1 3.59Å; I123-T176 HydrophobicContact CG2-CG2 3.84Å; I123-S183 PolarHBondContact N-O 3.02Å; I123-Q185 HydrophobicContact CD1-CB 4.05Å; I123-Q185 HydrophobicContact CD1-CG 3.62Å
124	G	59.4	Low	66.4	Low	36 Å²	36	76 Å²	76	37%	0.371	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.3	-161.9	0	0	0	0	0	117.8	Y122	Y122-G124 VanDerWaalsContact CE1-N 3.31Å
125	D	56.8	Low	64.5	Low	69 Å²	69	79.9 Å²	79.9	37%	0.369	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	16.6	-168.6	-46.9	-51.2	0	0	0	116	Y122 I123 Q127 L219	Y122-D125 WeakPolarHBondContact CE1-OD2 3.39Å; I123-D125 PolarHBondContact O-N 3.03Å; D125-Q127 PolarHBondContact O-N 2.82Å; D125-L219 HydrophobicContact CB-CD2 3.52Å
126	L	54.3	Low	62.4	Low	64 Å²	64	81.9 Å²	81.9	34%	0.335	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.9	-177.9	-71.9	156.7	0	0	0	115.1	I123 I150 T176 W216 L219	I123-L126 HydrophobicContact CG2-CD1 3.52Å; I123-L126 WeakPolarHBondContact O-CD1 3.42Å; L126-I150 HydrophobicContact CD1-CD1 4.44Å; L126-T176 HydrophobicContact CD1-CG2 4.42Å; L126-W216 HydrophobicContact CD1-CH2 3.08Å; L126-W216 HydrophobicContact CD1-CZ2 3.39Å; L126-W216 HydrophobicContact CD1-CZ3 3.95Å; L126-W216 HydrophobicContact CD2-CD2 4Å; L126-W216 HydrophobicContact CD2-CE3 4.33Å; L126-W216 HydrophobicContact CD2-CH2 3.54Å; L126-W216 HydrophobicContact CD2-CZ2 3.09Å; L126-W216 HydrophobicContact CD2-CZ3 4.13Å; L126-W216 HydrophobicContact CG-CH2 3.8Å; L126-W216 HydrophobicContact CG-CZ2 3.81Å; L126-W216 HydrophobicContact CG-CZ3 4.44Å; L126-L219 HydrophobicContact CD2-CD1 3.48Å; L126-L219 VanDerWaalsContact CD2-CD1 3.48Å; L126-L219 HydrophobicContact CG-CD1 3.78Å
127	Q	49.9	Very low	60.3	Low	113 Å²	113	89.1 Å²	89.1	53%	0.528	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-2	-171.4	-148.5	170.1	-0.8	0	0	115.2	D125 N129	D125-Q127 PolarHBondContact O-N 2.82Å; Q127-N129 PolarHBondContact O-N 2.88Å
128	N	45.7	Very low	58.1	Low	147 Å²	147	97.9 Å²	97.9	79%	0.786	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	26.3	179.7	-93.7	-7.4	0	0	0	114.8
129	N	43.2	Very low	55.9	Low	157 Å²	157	101.3 Å²	101.3	84%	0.84	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	33	172.4	-146.6	19	0	0	0	112.7	Q127 Q131	Q127-N129 PolarHBondContact O-N 2.88Å; N129-Q131 PolarHBondContact O-N 3.2Å
130	T	42	Very low	53.7	Low	114 Å²	114	105.8 Å²	105.8	70%	0.699	56%	0.563	S	S	*	*			trans	-82	102.7	159.7	50.8	0	0	0	0	108.6	R132	T130-R132 PolarHBondContact O-N 3.15Å
131	Q	48.5	Very low	51.6	Low	168 Å²	168	116.5 Å²	116.5	79%	0.785	60%	0.602	S	S	*	*			trans	-15.6	124.2	163.6	-69.1	158.5	-29.1	0	0	114	N129 C133	N129-Q131 PolarHBondContact O-N 3.2Å; Q131-C133 VanDerWaalsContact C-N 3.34Å; Q131-C133 PolarHBondContact O-N 2.86Å
132	R	38.7	Very low	50	Low	219 Å²	219	125.6 Å²	125.6	83%	0.826	65%	0.645	S	S	*	*			trans	-53.9	100.2	158	-78.1	-179	179.5	173	-1.1	108	T130 F134	T130-R132 PolarHBondContact O-N 3.15Å; R132-F134 HydrophobicContact CB-CD2 4.03Å; R132-F134 HydrophobicContact CB-CE2 3.67Å; R132-F134 HydrophobicContact CB-CZ 4.46Å; R132-F134 HydrophobicContact CG-CE2 4.35Å; R132-F134 PolarHBondContact O-N 2.92Å
133	C	40.8	Very low	48.1	Very low	88 Å²	88	126.8 Å²	126.8	60%	0.595	67%	0.666	S	S	*	*			trans	-77.1	113	169.2	-92.7	0	0	0	0	108.3	Q131	Q131-C133 VanDerWaalsContact C-N 3.34Å; Q131-C133 PolarHBondContact O-N 2.86Å
134	F	46.8	Very low	46.6	Very low	174 Å²	174	131.7 Å²	131.7	76%	0.763	70%	0.699	S	S	*	*			trans	-91	10.8	-179.7	-86.4	-78.2	0	0	0	114.3	R132	R132-F134 HydrophobicContact CB-CD2 4.03Å; R132-F134 HydrophobicContact CB-CE2 3.67Å; R132-F134 HydrophobicContact CB-CZ 4.46Å; R132-F134 HydrophobicContact CG-CE2 4.35Å; R132-F134 PolarHBondContact O-N 2.92Å
135	T	50.8	Low	46.1	Very low	109 Å²	109	141.2 Å²	141.2	67%	0.669	72%	0.724	S	S	*	*			trans	-144.8	139.9	177	51.6	0	0	0	0	114	K137	T135-K137 PolarHBondContact O-N 3.38Å
136	P	49.7	Very low	45.6	Very low	130 Å²	130	148.7 Å²	148.7	84%	0.844	75%	0.747	S	S	*	*	S	Bend	trans	-94	7.2	-158.1	-2.7	23.8	0	0	0	115.8
137	K	46.8	Very low	45.3	Very low	188 Å²	188	152.1 Å²	152.1	82%	0.817	76%	0.761	S	S	*	*	S	Bend	trans	-119.7	-5.5	-162.5	-72.6	-169	177	-178.6	0	118.1	T135	T135-K137 PolarHBondContact O-N 3.38Å
138	H	47.1	Very low	45.5	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.856	76%	0.758	S	S	*	*			trans	-141	38.9	179.5	-91	61.8	0	0	0	113.7	A140	H138-A140 PolarHBondContact O-N 2.9Å; H138-A140 VanDerWaalsContact O-N 3.09Å
139	C	46.1	Very low	46	Very low	93 Å²	93	148.4 Å²	148.4	63%	0.628	75%	0.746	S	S	*	*			trans	-77.6	96	165.1	-68.9	0	0	0	0	108.8
140	A	43	Very low	47.1	Very low	95 Å²	95	141.3 Å²	141.3	79%	0.785	71%	0.708	S	S	*	*			trans	-54.6	139	169.9	0	0	0	0	0	110	H138	H138-A140 PolarHBondContact O-N 2.9Å; H138-A140 VanDerWaalsContact O-N 3.09Å
141	R	44.1	Very low	48.2	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	69%	0.692	S	S	*	*			trans	-35.1	136.1	178.5	-70.9	174.9	171.8	179.1	-3.5	112.5	G143	R141-G143 PolarHBondContact O-N 3.13Å
142	H	48.1	Very low	49.4	Very low	199 Å²	199	132.3 Å²	132.3	92%	0.921	66%	0.658	S	S	*	*			trans	-32.1	110.4	166.2	-75.6	-77.7	0	0	0	111.2
143	G	37.5	Very low	51.2	Low	55 Å²	55	122.5 Å²	122.5	57%	0.567	62%	0.622	S	S	*	*			trans	-58.1	158.1	168.1	0	0	0	0	0	110.4	R141 R145	R141-G143 PolarHBondContact O-N 3.13Å; G143-R145 PolarHBondContact O-N 3.22Å
144	P	40.1	Very low	53.1	Low	120 Å²	120	118.4 Å²	118.4	78%	0.779	59%	0.594	S	S	*	*			trans	-55.7	131.5	-177	23	-31.1	0	0	0	109.9	R146	P144-R146 PolarHBondContact O-N 3.32Å
145	R	49.2	Very low	54.6	Low	236 Å²	236	112.6 Å²	112.6	89%	0.891	57%	0.568	S	S	*	*			trans	-48.4	108.9	177.7	-68.7	175.5	178.1	171.1	-2.8	108.6	G143 H147	G143-R145 PolarHBondContact O-N 3.22Å; R145-H147 PolarHBondContact O-N 2.9Å
146	R	45.5	Very low	55.9	Low	227 Å²	227	108 Å²	108	86%	0.857	54%	0.539	S	S	*	.			trans	-72.9	112.9	178.2	-71.4	-172.7	177.6	-174.9	-0.3	108.2	P144 S148	P144-R146 PolarHBondContact O-N 3.32Å; R146-S148 PolarHBondContact O-N 3.27Å; R146-S148 VanDerWaalsContact O-N 3.11Å
147	H	48.1	Very low	57.1	Low	136 Å²	136	102 Å²	102	63%	0.63	50%	0.5	S	S	*	.			trans	-66.2	104.1	162.3	-66.3	-76.8	0	0	0	107.5	R145	R145-H147 PolarHBondContact O-N 2.9Å
148	S	53.2	Low	58	Low	66 Å²	66	93.4 Å²	93.4	46%	0.462	46%	0.464	S	S	.	.			trans	-89.9	114.2	169.9	-67.5	0	0	0	0	108	R146 T176	R146-S148 PolarHBondContact O-N 3.27Å; R146-S148 VanDerWaalsContact O-N 3.11Å; S148-T176 PolarHBondContact O-OG1 3.32Å
149	H	57.6	Low	58.7	Low	116 Å²	116	88.5 Å²	88.5	54%	0.537	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.6	168.8	-65.4	-80.1	0	0	0	107.9
150	I	64.8	Low	59.3	Low	8 Å²	8	88 Å²	88	4%	0.041	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.2	170.4	-56.6	121.3	0	0	0	107.3	L126 M152 V174 T176 V208 W216	L126-I150 HydrophobicContact CD1-CD1 4.44Å; I150-M152 HydrophobicContact CG2-CG 4.18Å; I150-V174 HydrophobicContact CB-CB 4.16Å; I150-V174 HydrophobicContact CD1-CB 4.48Å; I150-V174 HydrophobicContact CD1-CG1 4.34Å; I150-V174 PolarHBondContact N-O 2.89Å; I150-V174 VanDerWaalsContact N-O 3.13Å; I150-V174 PolarHBondContact O-N 3.45Å; I150-T176 HydrophobicContact CD1-CG2 3.38Å; I150-V208 HydrophobicContact CG2-CG1 3.67Å; I150-W216 HydrophobicContact CB-CH2 4.32Å; I150-W216 HydrophobicContact CB-CZ2 4.38Å; I150-W216 HydrophobicContact CD1-CH2 3.07Å; I150-W216 HydrophobicContact CD1-CZ2 3.33Å; I150-W216 HydrophobicContact CD1-CZ3 4.17Å; I150-W216 HydrophobicContact CG1-CH2 3.41Å; I150-W216 VanDerWaalsContact CG1-CH2 3.41Å; I150-W216 HydrophobicContact CG1-CZ2 3.22Å; I150-W216 HydrophobicContact CG1-CZ3 4.4Å; I150-W216 HydrophobicContact CG2-CH2 4.25Å; I150-W216 HydrophobicContact CG2-CZ2 4.33Å
151	H	66.9	Low	59.7	Low	80 Å²	80	90.5 Å²	90.5	37%	0.37	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107.5	172.3	-63.9	-73.2	0	0	0	107.5	N173 A209	H151-N173 PolarHBondContact CE1-OD1 3.5Å; H151-N173 PolarHBondContact ND1-OD1 3.45Å; H151-A209 HydrophobicContact CB-CB 4.42Å; H151-A209 WeakPolarHBondContact O-CB 3.33Å; H151-A209 PolarHBondContact O-N 2.92Å
152	M	72.6	Confident	60.5	Low	12 Å²	12	86.9 Å²	86.9	6%	0.059	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.3	166.5	-68.8	-160.7	-80	0	0	108.6	Y121 I150 R171 I172 V174 I206 V208	Y121-M152 HydrophobicContact CD1-CE 3.72Å; Y121-M152 HydrophobicContact CD2-CE 3.53Å; Y121-M152 HydrophobicContact CE1-CE 3.67Å; Y121-M152 HydrophobicContact CE2-CE 3.43Å; Y121-M152 VanDerWaalsContact CE2-CE 3.43Å; Y121-M152 HydrophobicContact CG-CE 3.67Å; I150-M152 HydrophobicContact CG2-CG 4.18Å; M152-R171 CarbonylContact O-C 3.58Å; M152-R171 WeakPolarHBondContact O-CA 3.14Å; M152-I172 HydrophobicContact CB-CB 4.35Å; M152-I172 PolarHBondContact N-O 3.31Å; M152-I172 PolarHBondContact O-N 3.49Å; M152-V174 HydrophobicContact CE-CG2 3.52Å; M152-V174 HydrophobicContact CG-CG2 4.44Å; M152-I206 HydrophobicContact CB-CG2 4.43Å; M152-I206 HydrophobicContact SD-CG2 4.27Å; M152-V208 HydrophobicContact CG-CB 4.47Å; M152-V208 HydrophobicContact CG-CG1 4.18Å; M152-V208 HydrophobicContact CG-CG2 3.93Å; M152-V208 HydrophobicContact SD-CG2 3.96Å
153	V	75.9	Confident	60.9	Low	14 Å²	14	85.4 Å²	85.4	9%	0.085	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.7	177.4	-172.9	0	0	0	0	107.6	W155 H169 F170 R171 D207	V153-W155 HydrophobicContact CG1-CD2 4.39Å; V153-W155 HydrophobicContact CG1-CZ2 3.95Å; V153-H169 HydrophobicContact CG1-CB 3.65Å; V153-F170 CarbonylContact C-O 3.59Å; V153-F170 WeakPolarHBondContact CA-O 3.32Å; V153-R171 HydrophobicContact CG2-CG 4.3Å; V153-D207 HydrophobicContact CB-CB 4.34Å; V153-D207 PolarHBondContact N-O 3.36Å; V153-D207 PolarHBondContact O-N 3.39Å
154	I	81.6	Confident	62.1	Low	1 Å²	1	85.4 Å²	85.4	1%	0.005	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122	174.5	-55	-177	0	0	0	107.9	L119 H169 F170 I172 I189 V192 I204 G205 I206	L119-I154 HydrophobicContact CD2-CD1 3.96Å; I154-H169 CarbonylContact O-C 3.59Å; I154-H169 WeakPolarHBondContact O-CA 3.13Å; I154-F170 HydrophobicContact CB-CB 4.39Å; I154-F170 PolarHBondContact N-O 2.88Å; I154-F170 PolarHBondContact O-N 2.92Å; I154-I172 HydrophobicContact CD1-CD1 3.39Å; I154-I172 HydrophobicContact CD1-CG1 4.27Å; I154-I172 HydrophobicContact CG1-CD1 4.05Å; I154-I189 HydrophobicContact CD1-CG2 3.53Å; I154-V192 HydrophobicContact CG2-CG1 4.15Å; I154-I204 HydrophobicContact CG2-CG2 3.45Å; I154-I204 VanDerWaalsContact CG2-CG2 3.45Å; I154-G205 CarbonylContact C-O 3.59Å; I154-I206 HydrophobicContact CG1-CD1 4.36Å; I154-I206 HydrophobicContact CG1-CG1 4.17Å; I154-I206 HydrophobicContact CG2-CG1 4.47Å
155	W	79.1	Confident	63.2	Low	53 Å²	53	87.9 Å²	87.9	20%	0.201	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.7	176.4	-62.6	91.7	0	0	0	109.9	V153 F157 H169 I204 G205	V153-W155 HydrophobicContact CG1-CD2 4.39Å; V153-W155 HydrophobicContact CG1-CZ2 3.95Å; W155-F157 HydrophobicContact CB-CD2 4.17Å; W155-F157 HydrophobicContact CB-CE1 4.1Å; W155-F157 HydrophobicContact CB-CE2 3.33Å; W155-F157 HydrophobicContact CB-CZ 3.3Å; W155-F157 HydrophobicContact CG-CE2 4.28Å; W155-F157 AromaticContact CG-CZ 3.86Å; W155-F157 HydrophobicContact CG-CZ 3.86Å; W155-H169 HydrophobicContact CD2-CB 3.99Å; W155-H169 HydrophobicContact CE3-CB 3.72Å; W155-H169 HydrophobicContact CH2-CB 4.01Å; W155-H169 HydrophobicContact CZ2-CB 4.26Å; W155-H169 HydrophobicContact CZ3-CB 3.74Å; W155-I204 CarbonylContact O-C 3.43Å; W155-I204 WeakPolarHBondContact O-CA 3.36Å; W155-G205 PolarHBondContact N-O 2.95Å; W155-G205 PolarHBondContact O-N 3.23Å
156	S	77.3	Confident	64	Low	11 Å²	11	79.1 Å²	79.1	8%	0.077	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.9	164	59.2	0	0	0	0	109.8	L167 G168	S156-L167 PolarHBondContact O-N 3.26Å; S156-L167 VanDerWaalsContact O-N 3.11Å; S156-G168 PolarHBondContact N-O 2.95Å; S156-G168 PolarHBondContact OG-N 3.23Å
157	F	74.1	Confident	64.6	Low	5 Å²	5	72 Å²	72	2%	0.022	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	-178.6	-60.2	-76.6	0	0	0	111.1	I95 L100 W155 M164 R165 L203	I95-F157 HydrophobicContact CB-CE1 4.47Å; I95-F157 HydrophobicContact CB-CZ 4.36Å; I95-F157 HydrophobicContact CD1-CD2 3.76Å; I95-F157 HydrophobicContact CD1-CE2 3.58Å; I95-F157 HydrophobicContact CD1-CG 4.3Å; I95-F157 HydrophobicContact CD1-CZ 3.99Å; I95-F157 HydrophobicContact CG2-CD1 3.85Å; I95-F157 HydrophobicContact CG2-CE1 3.55Å; I95-F157 HydrophobicContact CG2-CG 4.46Å; I95-F157 HydrophobicContact CG2-CZ 3.91Å; L100-F157 HydrophobicContact CD1-CE2 4.02Å; L100-F157 HydrophobicContact CD1-CZ 3.65Å; W155-F157 HydrophobicContact CB-CD2 4.17Å; W155-F157 HydrophobicContact CB-CE1 4.1Å; W155-F157 HydrophobicContact CB-CE2 3.33Å; W155-F157 HydrophobicContact CB-CZ 3.3Å; W155-F157 HydrophobicContact CG-CE2 4.28Å; W155-F157 AromaticContact CG-CZ 3.86Å; W155-F157 HydrophobicContact CG-CZ 3.86Å; F157-M164 HydrophobicContact CB-CE 3.54Å; F157-M164 HydrophobicContact CB-CG 3.8Å; F157-M164 HydrophobicContact CD1-CE 4.49Å; F157-M164 HydrophobicContact CD1-CG 4.07Å; F157-M164 HydrophobicContact CD2-CE 4.09Å; F157-M164 HydrophobicContact CG-CE 3.81Å; F157-M164 HydrophobicContact CG-CG 4.14Å; F157-R165 WeakPolarHBondContact CA-O 3.48Å; F157-L203 HydrophobicContact CB-CB 4.28Å; F157-L203 PolarHBondContact N-O 3.34Å
158	A	66.1	Low	65.3	Low	7 Å²	7	66.7 Å²	66.7	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.8	165.9	0	0	0	0	0	109.7	V160 M164 R165 L167 E201	A158-V160 HydrophobicContact CB-CG2 4.07Å; A158-M164 WeakPolarHBondContact O-CA 3.39Å; A158-R165 PolarHBondContact N-O 2.95Å; A158-R165 PolarHBondContact O-N 3.13Å; A158-L167 HydrophobicContact CB-CD1 3.57Å; A158-E201 HydrophobicContact CB-CB 4.37Å; A158-E201 HydrophobicContact CB-CG 3.67Å
159	S	63.1	Low	66	Low	83 Å²	83	67.8 Å²	67.8	58%	0.58	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	100.8	167.5	-171.3	0	0	0	0	108.3
160	V	57.8	Low	66.5	Low	81 Å²	81	65.9 Å²	65.9	49%	0.491	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.1	176.2	-176.6	0	0	0	0	107.3	A158 N162 K163	A158-V160 HydrophobicContact CB-CG2 4.07Å; V160-N162 PolarHBondContact O-N 2.67Å; V160-K163 PolarHBondContact N-O 3.29Å; V160-K163 VanDerWaalsContact N-O 3.14Å; V160-K163 CarbonylContact O-C 3.58Å; V160-K163 PolarHBondContact O-N 3.2Å
161	D	51.8	Low	66.7	Low	148 Å²	148	74.1 Å²	74.1	79%	0.791	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	43.5	179.3	-54	-39.9	0	0	0	114.7	K163	D161-K163 PolarHBondContact O-N 3.43Å
162	N	60	Low	66.8	Low	167 Å²	167	71.3 Å²	71.3	89%	0.893	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	14.1	-174	-69.7	-24.8	0	0	0	114.5	V160	V160-N162 PolarHBondContact O-N 2.67Å
163	K	57.7	Low	66.6	Low	167 Å²	167	75.5 Å²	75.5	73%	0.726	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.4	173.4	-71.1	-178.6	-179.5	174.3	0	109.6	V160 D161 R165	V160-K163 PolarHBondContact N-O 3.29Å; V160-K163 VanDerWaalsContact N-O 3.14Å; V160-K163 CarbonylContact O-C 3.58Å; V160-K163 PolarHBondContact O-N 3.2Å; D161-K163 PolarHBondContact O-N 3.43Å; K163-R165 PolarHBondContact O-N 3.07Å
164	M	62.7	Low	66.1	Low	55 Å²	55	74.9 Å²	74.9	27%	0.271	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.2	-175.3	-149.9	147.3	172.5	0	0	109.5	I95 F157 A158 L203	I95-M164 HydrophobicContact CB-SD 4.38Å; I95-M164 HydrophobicContact CD1-CE 3.32Å; I95-M164 HydrophobicContact CD1-SD 4.06Å; I95-M164 HydrophobicContact CG1-CE 3.72Å; I95-M164 HydrophobicContact CG1-SD 3.76Å; I95-M164 HydrophobicContact CG2-CB 4.1Å; I95-M164 HydrophobicContact CG2-CE 4.27Å; I95-M164 HydrophobicContact CG2-CG 3.86Å; I95-M164 HydrophobicContact CG2-SD 3.78Å; F157-M164 HydrophobicContact CB-CE 3.54Å; F157-M164 HydrophobicContact CB-CG 3.8Å; F157-M164 HydrophobicContact CD1-CE 4.49Å; F157-M164 HydrophobicContact CD1-CG 4.07Å; F157-M164 HydrophobicContact CD2-CE 4.09Å; F157-M164 HydrophobicContact CG-CE 3.81Å; F157-M164 HydrophobicContact CG-CG 4.14Å; A158-M164 WeakPolarHBondContact O-CA 3.39Å; M164-L203 HydrophobicContact CE-CB 4.24Å; M164-L203 HydrophobicContact CE-CD1 3.74Å
165	R	62.9	Low	65.1	Low	172 Å²	172	77.2 Å²	77.2	65%	0.649	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.6	178.6	-169.9	174.5	178.6	175.3	-1.1	109.5	F157 A158 K163 L167	F157-R165 WeakPolarHBondContact CA-O 3.48Å; A158-R165 PolarHBondContact N-O 2.95Å; A158-R165 PolarHBondContact O-N 3.13Å; K163-R165 PolarHBondContact O-N 3.07Å; R165-L167 HydrophobicContact CG-CD2 4.15Å; R165-L167 HydrophobicContact CG-CG 4.38Å
166	S	65.9	Low	64	Low	52 Å²	52	76.5 Å²	76.5	36%	0.364	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.2	170.9	62.1	0	0	0	0	109.8
167	L	58.2	Low	62.6	Low	78 Å²	78	81.7 Å²	81.7	41%	0.408	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-24.8	-171	-71.2	163.1	0	0	0	114	S156 A158 R165 E201	S156-L167 PolarHBondContact O-N 3.26Å; S156-L167 VanDerWaalsContact O-N 3.11Å; A158-L167 HydrophobicContact CB-CD1 3.57Å; R165-L167 HydrophobicContact CG-CD2 4.15Å; R165-L167 HydrophobicContact CG-CG 4.38Å; L167-E201 HydrophobicContact CD1-CG 4.24Å; L167-E201 WeakPolarHBondContact CD1-OE1 3.47Å; L167-E201 WeakPolarHBondContact CD1-OE2 3.47Å
168	G	62.7	Low	61.4	Low	24 Å²	24	89.6 Å²	89.6	25%	0.247	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	162.9	173.9	0	0	0	0	0	111.6	S156	S156-G168 PolarHBondContact N-O 2.95Å; S156-G168 PolarHBondContact OG-N 3.23Å
169	H	67.9	Low	60.5	Low	90 Å²	90	99 Å²	99	42%	0.417	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.3	171.5	68.9	-84.8	0	0	0	111.4	V153 I154 W155	V153-H169 HydrophobicContact CG1-CB 3.65Å; I154-H169 CarbonylContact O-C 3.59Å; I154-H169 WeakPolarHBondContact O-CA 3.13Å; W155-H169 HydrophobicContact CD2-CB 3.99Å; W155-H169 HydrophobicContact CE3-CB 3.72Å; W155-H169 HydrophobicContact CH2-CB 4.01Å; W155-H169 HydrophobicContact CZ2-CB 4.26Å; W155-H169 HydrophobicContact CZ3-CB 3.74Å
170	F	67.5	Low	59.5	Low	75 Å²	75	100.6 Å²	100.6	33%	0.329	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.3	178.4	-71	-92.6	0	0	0	109.6	V153 I154 V192	V153-F170 CarbonylContact C-O 3.59Å; V153-F170 WeakPolarHBondContact CA-O 3.32Å; I154-F170 HydrophobicContact CB-CB 4.39Å; I154-F170 PolarHBondContact N-O 2.88Å; I154-F170 PolarHBondContact O-N 2.92Å; F170-V192 HydrophobicContact CB-CG2 4.26Å; F170-V192 HydrophobicContact CD1-CG2 4.09Å; F170-V192 HydrophobicContact CD2-CB 4.28Å; F170-V192 HydrophobicContact CD2-CG1 3.99Å; F170-V192 HydrophobicContact CD2-CG2 3.42Å; F170-V192 VanDerWaalsContact CD2-CG2 3.42Å; F170-V192 HydrophobicContact CE1-CG2 4.3Å; F170-V192 HydrophobicContact CE2-CB 4.28Å; F170-V192 HydrophobicContact CE2-CG1 4.11Å; F170-V192 HydrophobicContact CE2-CG2 3.66Å; F170-V192 HydrophobicContact CG-CG2 3.65Å; F170-V192 HydrophobicContact CZ-CG2 4.09Å
171	R	68.9	Low	59.1	Low	181 Å²	181	105.7 Å²	105.7	68%	0.683	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.9	178.1	-62.2	-174.3	-177.9	174.2	1.1	109.8	M152 V153	M152-R171 CarbonylContact O-C 3.58Å; M152-R171 WeakPolarHBondContact O-CA 3.14Å; V153-R171 HydrophobicContact CG2-CG 4.3Å
172	I	69.5	Low	59.2	Low	22 Å²	22	103.6 Å²	103.6	11%	0.113	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.9	171.8	-61.2	-176.8	0	0	0	108	L119 M152 I154 V174 R187 I189	L119-I172 HydrophobicContact CD2-CD1 4.4Å; M152-I172 HydrophobicContact CB-CB 4.35Å; M152-I172 PolarHBondContact N-O 3.31Å; M152-I172 PolarHBondContact O-N 3.49Å; I154-I172 HydrophobicContact CD1-CD1 3.39Å; I154-I172 HydrophobicContact CD1-CG1 4.27Å; I154-I172 HydrophobicContact CG1-CD1 4.05Å; I172-V174 HydrophobicContact CG2-CG2 3.9Å; I172-R187 HydrophobicContact CD1-CB 4.14Å; I172-R187 HydrophobicContact CD1-CG 4.47Å; I172-R187 HydrophobicContact CG2-CG 3.82Å; I172-I189 HydrophobicContact CD1-CG2 4.25Å
173	N	68.4	Low	59.6	Low	100 Å²	100	98 Å²	98	54%	0.535	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.4	169.2	-66.9	-11.2	0	0	0	108.6	H151	H151-N173 PolarHBondContact CE1-OD1 3.5Å; H151-N173 PolarHBondContact ND1-OD1 3.45Å
174	V	65.8	Low	60.5	Low	1 Å²	1	92.9 Å²	92.9	1%	0.006	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111	175.7	-177.3	0	0	0	0	107.9	Y121 I123 I150 M152 I172	Y121-V174 HydrophobicContact CE2-CG1 3.73Å; Y121-V174 HydrophobicContact CE2-CG2 3.94Å; Y121-V174 WeakPolarHBondContact OH-CG2 3.44Å; I123-V174 HydrophobicContact CD1-CG1 3.59Å; I150-V174 HydrophobicContact CB-CB 4.16Å; I150-V174 HydrophobicContact CD1-CB 4.48Å; I150-V174 HydrophobicContact CD1-CG1 4.34Å; I150-V174 PolarHBondContact N-O 2.89Å; I150-V174 VanDerWaalsContact N-O 3.13Å; I150-V174 PolarHBondContact O-N 3.45Å; M152-V174 HydrophobicContact CE-CG2 3.52Å; M152-V174 HydrophobicContact CG-CG2 4.44Å; I172-V174 HydrophobicContact CG2-CG2 3.9Å
175	S	59.2	Low	61.3	Low	49 Å²	49	91.8 Å²	91.8	34%	0.343	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	119.2	167.2	46.7	0	0	0	0	109	L177	S175-L177 PolarHBondContact O-N 2.78Å
176	T	56.1	Low	62.4	Low	39 Å²	39	91 Å²	91	24%	0.239	43%	0.43	C	S	.	.			trans	-78.3	69	168.6	63.3	0	0	0	0	108.9	I123 L126 S148 I150 Y178	I123-T176 HydrophobicContact CG2-CG2 3.84Å; L126-T176 HydrophobicContact CD1-CG2 4.42Å; S148-T176 PolarHBondContact O-OG1 3.32Å; I150-T176 HydrophobicContact CD1-CG2 3.38Å; T176-Y178 PolarHBondContact O-N 3.27Å; T176-Y178 VanDerWaalsContact O-N 3.13Å
177	L	47.6	Very low	63.3	Low	120 Å²	120	91.7 Å²	91.7	63%	0.628	43%	0.425	S	S	*	.			trans	-74.1	104.6	168.3	-76.9	174.6	0	0	0	108	S175 R179	S175-L177 PolarHBondContact O-N 2.78Å; L177-R179 PolarHBondContact O-N 3.45Å
178	Y	48.8	Very low	64.7	Low	170 Å²	170	93.5 Å²	93.5	67%	0.667	44%	0.435	S	S	*	.			trans	-63.1	95	176.1	-158	-95.4	0	0	0	108.9	T176 D180	T176-Y178 PolarHBondContact O-N 3.27Å; T176-Y178 VanDerWaalsContact O-N 3.13Å; Y178-D180 WeakPolarHBondContact CE1-OD1 3.5Å
179	R	47.1	Very low	66	Low	205 Å²	205	92.6 Å²	92.6	77%	0.774	43%	0.425	S	S	*	.			trans	-106.3	123.5	154.9	-78	-174.5	175.3	-178.9	-0.9	105	L177 F181 I182	L177-R179 PolarHBondContact O-N 3.45Å; R179-F181 PolarHBondContact O-N 2.77Å; R179-I182 PolarHBondContact O-N 3.31Å
180	D	43.6	Very low	67	Low	116 Å²	116	89.5 Å²	89.5	62%	0.62	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	8	-171.1	-68	-64.4	0	0	0	116.9	Y178	Y178-D180 WeakPolarHBondContact CE1-OD1 3.5Å
181	F	47.9	Very low	68	Low	189 Å²	189	95.8 Å²	95.8	83%	0.829	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	-3.2	-168	-61.4	-75	0	0	0	116.8	R179	R179-F181 PolarHBondContact O-N 2.77Å
182	I	54.3	Low	68.8	Low	104 Å²	104	87.6 Å²	87.6	53%	0.533	40%	0.404	S	S	.	.			trans	-123.7	88.5	-176.7	-51.8	176.3	0	0	0	111.4	R179 W184	R179-I182 PolarHBondContact O-N 3.31Å; I182-W184 WeakPolarHBondContact CG2-O 2.94Å
183	S	68	Low	69.8	Low	50 Å²	50	86.6 Å²	86.6	35%	0.35	40%	0.399	S	S	.	.			trans	-80.6	-21.5	179.4	-44.1	0	0	0	0	113.8	Y122 I123	Y122-S183 WeakPolarHBondContact CD2-O 3.38Å; I123-S183 PolarHBondContact N-O 3.02Å
184	W	77.1	Confident	70.7	Confident	59 Å²	59	84.2 Å²	84.2	22%	0.223	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.3	176	-75.8	99.7	0	0	0	110.9	T60 Y122 I182 R223 Y226	T60-W184 HydrophobicContact CG2-CZ2 3.8Å; T60-W184 WeakPolarHBondContact OG1-CH2 3.49Å; T60-W184 VanDerWaalsContact OG1-CZ2 3.25Å; T60-W184 WeakPolarHBondContact OG1-CZ2 3.2Å; Y122-W184 AromaticContact CD2-CD1 3.95Å; Y122-W184 AromaticContact CD2-CD2 3.9Å; Y122-W184 HydrophobicContact CD2-CD2 3.9Å; Y122-W184 AromaticContact CD2-CE2 3.63Å; Y122-W184 HydrophobicContact CD2-CG 4.1Å; Y122-W184 HydrophobicContact CD2-CZ2 4.08Å; Y122-W184 AromaticContact CD2-NE1 3.66Å; Y122-W184 HydrophobicContact CG-CZ2 4.46Å; I182-W184 WeakPolarHBondContact CG2-O 2.94Å; W184-R223 HydrophobicContact CH2-CB 4.09Å; W184-R223 HydrophobicContact CZ2-CB 4.16Å; W184-R223 HydrophobicContact CZ2-CG 4.4Å; W184-Y226 HydrophobicContact CE3-CE1 4.4Å; W184-Y226 HydrophobicContact CH2-CE1 4.18Å; W184-Y226 HydrophobicContact CZ3-CD1 4.39Å; W184-Y226 AromaticContact CZ3-CE1 3.86Å; W184-Y226 HydrophobicContact CZ3-CE1 3.86Å
185	Q	80.1	Confident	71.8	Confident	31 Å²	31	88.9 Å²	88.9	15%	0.145	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.4	174.2	-66	-162.2	12	0	0	111	H120 Y121 I123	H120-Q185 WeakPolarHBondContact CA-O 3.45Å; Y121-Q185 HydrophobicContact CE1-CB 4.3Å; Y121-Q185 HydrophobicContact CE2-CB 4.08Å; Y121-Q185 PolarHBondContact N-O 3.02Å; Y121-Q185 PolarHBondContact O-N 3.24Å; I123-Q185 HydrophobicContact CD1-CB 4.05Å; I123-Q185 HydrophobicContact CD1-CG 3.62Å
186	W	85.6	Confident	73	Confident	155 Å²	155	86.7 Å²	86.7	59%	0.587	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.9	173.3	67.4	102.4	0	0	0	112.4	L119	L119-W186 CarbonylContact O-C 3.47Å; L119-W186 WeakPolarHBondContact O-CA 3.4Å
187	R	85.5	Confident	74.6	Confident	67 Å²	67	86.3 Å²	86.3	25%	0.253	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.1	171.8	-71.4	-66.5	-176.3	-78.1	-3	110.4	T118 L119 Y121 I172 I189	T118-R187 CarbonylContact C-O 3.48Å; T118-R187 WeakPolarHBondContact CA-O 3.08Å; L119-R187 PolarHBondContact N-O 3.06Å; L119-R187 PolarHBondContact O-N 3.36Å; Y121-R187 HydrophobicContact CE1-CB 4.5Å; Y121-R187 HydrophobicContact CE1-CG 3.93Å; Y121-R187 PolarHBondContact OH-NH1 2.85Å; I172-R187 HydrophobicContact CD1-CB 4.14Å; I172-R187 HydrophobicContact CD1-CG 4.47Å; I172-R187 HydrophobicContact CG2-CG 3.82Å; R187-I189 PolarHBondContact O-N 3.3Å
188	D	87.4	Confident	76.4	Confident	116 Å²	116	88.2 Å²	88.2	62%	0.62	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.6	173.4	-174.5	-7.1	0	0	0	109.8	T190	D188-T190 WeakPolarHBondContact OD1-CB 2.87Å; D188-T190 PolarHBondContact OD1-N 3.25Å; D188-T190 PolarHBondContact OD1-OG1 3.48Å
189	I	88.8	Confident	78	Confident	5 Å²	5	84.8 Å²	84.8	3%	0.026	39%	0.387	C	S	.	.			trans	-123.6	17.9	177.8	61.3	160.2	0	0	0	111.5	A117 L119 I154 I172 R187 R191 V192 V193 I227	A117-I189 HydrophobicContact CB-CG1 3.96Å; A117-I189 WeakPolarHBondContact O-CG1 3.39Å; A117-I189 PolarHBondContact O-N 3.18Å; L119-I189 HydrophobicContact CB-CD1 4.06Å; L119-I189 HydrophobicContact CB-CG1 4.29Å; L119-I189 HydrophobicContact CB-CG2 3.9Å; I154-I189 HydrophobicContact CD1-CG2 3.53Å; I172-I189 HydrophobicContact CD1-CG2 4.25Å; R187-I189 PolarHBondContact O-N 3.3Å; I189-R191 VanDerWaalsContact C-N 3.29Å; I189-R191 PolarHBondContact O-N 3.38Å; I189-V192 HydrophobicContact CB-CG2 4.49Å; I189-V192 WeakPolarHBondContact O-CB 3.19Å; I189-V192 PolarHBondContact O-N 2.98Å; I189-V193 HydrophobicContact CD1-CG2 3.75Å; I189-V193 HydrophobicContact CG1-CG2 4.07Å; I189-V193 PolarHBondContact O-N 2.75Å; I189-V193 VanDerWaalsContact O-N 3.13Å; I189-I227 HydrophobicContact CD1-CD1 3.73Å; I189-I227 HydrophobicContact CD1-CG1 3.9Å; I189-I227 HydrophobicContact CD1-CG2 3.89Å
190	T	90	Very high	79.7	Confident	26 Å²	26	80.8 Å²	80.8	16%	0.16	38%	0.38	C	S	.	.	H	α-helix	trans	-50.8	-46.5	-174.5	-57.4	0	0	0	0	112.2	S116 A117 D188 V192 V193 S194	S116-T190 WeakPolarHBondContact CA-OG1 3.3Å; A117-T190 PolarHBondContact N-OG1 2.94Å; A117-T190 PolarHBondContact O-N 2.85Å; D188-T190 WeakPolarHBondContact OD1-CB 2.87Å; D188-T190 PolarHBondContact OD1-N 3.25Å; D188-T190 PolarHBondContact OD1-OG1 3.48Å; T190-V192 VanDerWaalsContact C-N 3.28Å; T190-V192 PolarHBondContact O-N 3.39Å; T190-V193 PolarHBondContact O-N 2.81Å; T190-S194 WeakPolarHBondContact O-CB 3.24Å; T190-S194 PolarHBondContact O-N 2.82Å; T190-S194 PolarHBondContact O-OG 3.35Å; T190-S194 VanDerWaalsContact O-OG 3.08Å
191	R	87.8	Confident	81.5	Confident	207 Å²	207	76.7 Å²	76.7	78%	0.781	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-35.5	179.5	-66.4	-175.3	178.6	-172.3	-1.2	113.3	I189 S194 Q195	I189-R191 VanDerWaalsContact C-N 3.29Å; I189-R191 PolarHBondContact O-N 3.38Å; R191-S194 PolarHBondContact O-OG 3.24Å; R191-Q195 VanDerWaalsContact O-CB 3.23Å; R191-Q195 WeakPolarHBondContact O-CB 3.47Å; R191-Q195 PolarHBondContact O-N 2.88Å; R191-Q195 VanDerWaalsContact O-N 3.12Å
192	V	86.5	Confident	83.2	Confident	8 Å²	8	68.9 Å²	68.9	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-72.3	-46.2	-178.8	-170.4	0	0	0	0	109.6	I154 F170 I189 T190 A196	I154-V192 HydrophobicContact CG2-CG1 4.15Å; F170-V192 HydrophobicContact CB-CG2 4.26Å; F170-V192 HydrophobicContact CD1-CG2 4.09Å; F170-V192 HydrophobicContact CD2-CB 4.28Å; F170-V192 HydrophobicContact CD2-CG1 3.99Å; F170-V192 HydrophobicContact CD2-CG2 3.42Å; F170-V192 VanDerWaalsContact CD2-CG2 3.42Å; F170-V192 HydrophobicContact CE1-CG2 4.3Å; F170-V192 HydrophobicContact CE2-CB 4.28Å; F170-V192 HydrophobicContact CE2-CG1 4.11Å; F170-V192 HydrophobicContact CE2-CG2 3.66Å; F170-V192 HydrophobicContact CG-CG2 3.65Å; F170-V192 HydrophobicContact CZ-CG2 4.09Å; I189-V192 HydrophobicContact CB-CG2 4.49Å; I189-V192 WeakPolarHBondContact O-CB 3.19Å; I189-V192 PolarHBondContact O-N 2.98Å; T190-V192 VanDerWaalsContact C-N 3.28Å; T190-V192 PolarHBondContact O-N 3.39Å; V192-A196 WeakPolarHBondContact O-CB 3.34Å; V192-A196 PolarHBondContact O-N 2.87Å
193	V	89.4	Confident	84.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-39.8	-179.6	179.8	0	0	0	0	111.3	L105 L108 V114 A117 I189 T190 A196 K197 I204 V229	L105-V193 HydrophobicContact CD2-CG1 3.91Å; L105-V193 HydrophobicContact CD2-CG2 4.29Å; L108-V193 HydrophobicContact CD1-CG1 4.36Å; V114-V193 HydrophobicContact CG1-CG1 4.2Å; V114-V193 HydrophobicContact CG2-CG1 4.39Å; A117-V193 HydrophobicContact CB-CB 3.87Å; A117-V193 HydrophobicContact CB-CG1 4.27Å; A117-V193 HydrophobicContact CB-CG2 3.6Å; I189-V193 HydrophobicContact CD1-CG2 3.75Å; I189-V193 HydrophobicContact CG1-CG2 4.07Å; I189-V193 PolarHBondContact O-N 2.75Å; I189-V193 VanDerWaalsContact O-N 3.13Å; T190-V193 PolarHBondContact O-N 2.81Å; V193-A196 PolarHBondContact O-N 2.87Å; V193-K197 WeakPolarHBondContact O-CB 3.35Å; V193-K197 PolarHBondContact O-N 3.46Å; V193-I204 HydrophobicContact CG2-CD1 3.78Å; V193-V229 HydrophobicContact CG1-CG2 4.28Å
194	S	89.2	Confident	85.7	Confident	50 Å²	50	63.4 Å²	63.4	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-40.7	178	66.1	0	0	0	0	112.2	T190 R191 K197 H198	T190-S194 WeakPolarHBondContact O-CB 3.24Å; T190-S194 PolarHBondContact O-N 2.82Å; T190-S194 PolarHBondContact O-OG 3.35Å; T190-S194 VanDerWaalsContact O-OG 3.08Å; R191-S194 PolarHBondContact O-OG 3.24Å; S194-K197 PolarHBondContact O-N 2.87Å; S194-H198 WeakPolarHBondContact O-CB 3.21Å; S194-H198 PolarHBondContact O-N 2.96Å
195	Q	87.3	Confident	86.2	Confident	100 Å²	100	60.6 Å²	60.6	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-47.9	173.9	-175.4	170.5	11.7	0	0	111.1	R191 K197 H198 H199	R191-Q195 VanDerWaalsContact O-CB 3.23Å; R191-Q195 WeakPolarHBondContact O-CB 3.47Å; R191-Q195 PolarHBondContact O-N 2.88Å; R191-Q195 VanDerWaalsContact O-N 3.12Å; Q195-K197 VanDerWaalsContact C-N 3.27Å; Q195-K197 PolarHBondContact O-N 2.91Å; Q195-H198 PolarHBondContact O-N 2.79Å; Q195-H198 VanDerWaalsContact O-N 3.11Å; Q195-H199 PolarHBondContact O-CD2 2.92Å; Q195-H199 PolarHBondContact O-N 3.21Å
196	A	85.8	Confident	86.3	Confident	2 Å²	2	59.5 Å²	59.5	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-53.9	-45	175.5	0	0	0	0	0	111.7	V192 V193 H199 D200 E201	V192-A196 WeakPolarHBondContact O-CB 3.34Å; V192-A196 PolarHBondContact O-N 2.87Å; V193-A196 PolarHBondContact O-N 2.87Å; A196-H199 PolarHBondContact O-N 2.85Å; A196-D200 PolarHBondContact O-N 2.91Å; A196-E201 WeakPolarHBondContact CB-O 3.42Å; A196-E201 WeakPolarHBondContact O-CA 3.37Å; A196-E201 PolarHBondContact O-N 3.1Å
197	K	88.5	Confident	85.9	Confident	32 Å²	32	53.9 Å²	53.9	14%	0.139	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-43.2	176	-176.8	174.2	-174	127.8	0	113	T109 E112 V114 V193 S194 Q195 H199 D200 L202	T109-K197 PolarHBondContact O-NZ 3.26Å; E112-K197 WeakPolarHBondContact O-CE 3.18Å; E112-K197 PolarHBondContact O-NZ 3.31Å; V114-K197 HydrophobicContact CG2-CD 3.63Å; V193-K197 WeakPolarHBondContact O-CB 3.35Å; V193-K197 PolarHBondContact O-N 3.46Å; S194-K197 PolarHBondContact O-N 2.87Å; Q195-K197 VanDerWaalsContact C-N 3.27Å; Q195-K197 PolarHBondContact O-N 2.91Å; K197-H199 PolarHBondContact O-N 2.85Å; K197-D200 PolarHBondContact O-N 3.42Å; K197-D200 VanDerWaalsContact O-N 3.14Å; K197-L202 HydrophobicContact CB-CD2 4.28Å
198	H	86.8	Confident	85.2	Confident	159 Å²	159	52.1 Å²	52.1	74%	0.736	26%	0.255	S	S	*	.	H	α-helix	trans	-63.7	-27	-178	-169.2	64.3	0	0	0	113.3	S194 Q195	S194-H198 WeakPolarHBondContact O-CB 3.21Å; S194-H198 PolarHBondContact O-N 2.96Å; Q195-H198 PolarHBondContact O-N 2.79Å; Q195-H198 VanDerWaalsContact O-N 3.11Å
199	H	82.6	Confident	84	Confident	99 Å²	99	49 Å²	49	46%	0.458	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	3.5	178	-64.7	-73.7	0	0	0	113.8	Q195 A196 K197 E201	Q195-H199 PolarHBondContact O-CD2 2.92Å; Q195-H199 PolarHBondContact O-N 3.21Å; A196-H199 PolarHBondContact O-N 2.85Å; K197-H199 PolarHBondContact O-N 2.85Å; H199-E201 VanDerWaalsContact C-N 3.33Å; H199-E201 VanDerWaalsContact CB-CD 3.42Å; H199-E201 HydrophobicContact CB-CG 3.71Å; H199-E201 WeakPolarHBondContact CB-OE1 3.43Å; H199-E201 WeakPolarHBondContact O-CG 3.22Å
200	D	82.1	Confident	82.4	Confident	120 Å²	120	51 Å²	51	64%	0.642	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	36.8	-172.3	-66.4	-40.1	0	0	0	114.1	A196 K197	A196-D200 PolarHBondContact O-N 2.91Å; K197-D200 PolarHBondContact O-N 3.42Å; K197-D200 VanDerWaalsContact O-N 3.14Å
201	E	80.3	Confident	80.5	Confident	30 Å²	30	59.9 Å²	59.9	14%	0.14	30%	0.299	C	S	.	.			trans	-113.2	64.4	-173	-59.2	174.2	178.1	0	0	111.6	A158 L167 A196 H199 L203	A158-E201 HydrophobicContact CB-CB 4.37Å; A158-E201 HydrophobicContact CB-CG 3.67Å; L167-E201 HydrophobicContact CD1-CG 4.24Å; L167-E201 WeakPolarHBondContact CD1-OE1 3.47Å; L167-E201 WeakPolarHBondContact CD1-OE2 3.47Å; A196-E201 WeakPolarHBondContact CB-O 3.42Å; A196-E201 WeakPolarHBondContact O-CA 3.37Å; A196-E201 PolarHBondContact O-N 3.1Å; H199-E201 VanDerWaalsContact C-N 3.33Å; H199-E201 VanDerWaalsContact CB-CD 3.42Å; H199-E201 HydrophobicContact CB-CG 3.71Å; H199-E201 WeakPolarHBondContact CB-OE1 3.43Å; H199-E201 WeakPolarHBondContact O-CG 3.22Å; E201-L203 PolarHBondContact O-N 2.93Å
202	L	84.5	Confident	78.8	Confident	26 Å²	26	51.6 Å²	51.6	14%	0.136	28%	0.278	C	S	.	.			trans	-81	20.6	-166.3	-59.9	171.9	0	0	0	114.2	L105 T106 L108 K197	L105-L202 WeakPolarHBondContact CA-O 3.45Å; L105-L202 HydrophobicContact CB-CB 4.13Å; L105-L202 WeakPolarHBondContact CB-O 3.36Å; L105-L202 PolarHBondContact N-O 3.33Å; T106-L202 HydrophobicContact CG2-CB 4.06Å; L108-L202 HydrophobicContact CB-CD2 4.42Å; L108-L202 HydrophobicContact CD1-CD2 4.18Å; K197-L202 HydrophobicContact CB-CD2 4.28Å
203	L	87.9	Confident	77	Confident	39 Å²	39	57.2 Å²	57.2	20%	0.204	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.6	175.1	-62.8	178.9	0	0	0	110.6	N104 F157 M164 E201	N104-L203 HydrophobicContact CB-CD2 4.21Å; F157-L203 HydrophobicContact CB-CB 4.28Å; F157-L203 PolarHBondContact N-O 3.34Å; M164-L203 HydrophobicContact CE-CB 4.24Å; M164-L203 HydrophobicContact CE-CD1 3.74Å; E201-L203 PolarHBondContact O-N 2.93Å
204	I	87.6	Confident	75.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	178.9	-61.4	177.7	0	0	0	108.1	V102 F103 L105 I154 W155 V193	V102-I204 CarbonylContact C-O 3.51Å; V102-I204 WeakPolarHBondContact CA-O 3.31Å; F103-I204 HydrophobicContact CB-CB 4.42Å; F103-I204 PolarHBondContact N-O 2.83Å; F103-I204 PolarHBondContact O-N 2.92Å; F103-I204 VanDerWaalsContact O-N 3.11Å; L105-I204 HydrophobicContact CD1-CB 4.18Å; L105-I204 HydrophobicContact CD1-CD1 3.99Å; L105-I204 HydrophobicContact CD1-CG1 4.06Å; L105-I204 HydrophobicContact CD2-CD1 3.89Å; I154-I204 HydrophobicContact CG2-CG2 3.45Å; I154-I204 VanDerWaalsContact CG2-CG2 3.45Å; W155-I204 CarbonylContact O-C 3.43Å; W155-I204 WeakPolarHBondContact O-CA 3.36Å; V193-I204 HydrophobicContact CG2-CD1 3.78Å
205	G	86.1	Confident	73.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.2	173.5	0	0	0	0	0	112.4	Q101 I154 W155	Q101-G205 CarbonylContact O-C 3.56Å; Q101-G205 WeakPolarHBondContact O-CA 3.44Å; I154-G205 CarbonylContact C-O 3.59Å; W155-G205 PolarHBondContact N-O 2.95Å; W155-G205 PolarHBondContact O-N 3.23Å
206	I	82.8	Confident	72.3	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	178.3	-56.3	-174.3	0	0	0	108.9	Q101 F103 L119 M152 I154 V208	Q101-I206 PolarHBondContact N-O 2.6Å; Q101-I206 PolarHBondContact O-N 3.08Å; F103-I206 HydrophobicContact CD2-CD1 4.31Å; F103-I206 HydrophobicContact CD2-CG1 4.31Å; F103-I206 HydrophobicContact CE2-CD1 3.4Å; F103-I206 VanDerWaalsContact CE2-CD1 3.4Å; F103-I206 HydrophobicContact CE2-CG1 3.7Å; F103-I206 HydrophobicContact CZ-CD1 4.01Å; L119-I206 HydrophobicContact CD1-CD1 3.53Å; L119-I206 HydrophobicContact CD2-CD1 3.43Å; L119-I206 VanDerWaalsContact CD2-CD1 3.43Å; L119-I206 HydrophobicContact CG-CD1 4.12Å; M152-I206 HydrophobicContact CB-CG2 4.43Å; M152-I206 HydrophobicContact SD-CG2 4.27Å; I154-I206 HydrophobicContact CG1-CD1 4.36Å; I154-I206 HydrophobicContact CG1-CG1 4.17Å; I154-I206 HydrophobicContact CG2-CG1 4.47Å; I206-V208 HydrophobicContact CG2-CG2 4.31Å
207	D	77.4	Confident	71.2	Confident	37 Å²	37	67.1 Å²	67.1	20%	0.198	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125	170.3	-165.6	-1.9	0	0	0	108.8	K98 L100 V153	K98-D207 IonicContact NZ-OD2 3.96Å; L100-D207 HydrophobicContact CD2-CB 3.37Å; V153-D207 HydrophobicContact CB-CB 4.34Å; V153-D207 PolarHBondContact N-O 3.36Å; V153-D207 PolarHBondContact O-N 3.39Å
208	V	71.5	Confident	69.8	Low	29 Å²	29	73.8 Å²	73.8	18%	0.176	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	100.5	176.3	-175.5	0	0	0	0	108.1	I150 M152 I206 S210 W216 L220	I150-V208 HydrophobicContact CG2-CG1 3.67Å; M152-V208 HydrophobicContact CG-CB 4.47Å; M152-V208 HydrophobicContact CG-CG1 4.18Å; M152-V208 HydrophobicContact CG-CG2 3.93Å; M152-V208 HydrophobicContact SD-CG2 3.96Å; I206-V208 HydrophobicContact CG2-CG2 4.31Å; V208-S210 PolarHBondContact O-N 2.94Å; V208-W216 HydrophobicContact CG1-CD2 4.27Å; V208-W216 HydrophobicContact CG1-CE3 4.25Å; V208-W216 HydrophobicContact CG1-CG 4.39Å; V208-L220 HydrophobicContact CG2-CD1 3.89Å
209	A	60.8	Low	68.6	Low	52 Å²	52	67 Å²	67	43%	0.43	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	87.9	176.9	0	0	0	0	0	109.4	H151	H151-A209 HydrophobicContact CB-CB 4.42Å; H151-A209 WeakPolarHBondContact O-CB 3.33Å; H151-A209 PolarHBondContact O-N 2.92Å
210	S	55.8	Low	67.6	Low	45 Å²	45	63.3 Å²	63.3	32%	0.315	34%	0.34	S	S	.	.			trans	-96.5	128.6	168.8	-174.5	0	0	0	0	110.3	V208 G212 W216	V208-S210 PolarHBondContact O-N 2.94Å; S210-G212 PolarHBondContact O-N 3.45Å; S210-G212 PolarHBondContact OG-N 2.9Å; S210-W216 PolarHBondContact OG-NE1 3.19Å; S210-W216 VanDerWaalsContact OG-NE1 3.12Å
211	Q	50.9	Low	66.7	Low	213 Å²	213	61.3 Å²	61.3	100%	0.995	34%	0.335	S	S	*	.	S	Bend	trans	-72.5	48.4	164.1	-67.9	-172.1	-7.4	0	0	111.5
212	G	51.4	Low	66	Low	33 Å²	33	65.7 Å²	65.7	34%	0.34	36%	0.36	S	S	.	.	S	Bend	trans	-157.6	152.9	-178.4	0	0	0	0	0	113.2	S210 Q214	S210-G212 PolarHBondContact O-N 3.45Å; S210-G212 PolarHBondContact OG-N 2.9Å; G212-Q214 PolarHBondContact O-N 2.79Å
213	P	48.5	Very low	65.5	Low	127 Å²	127	68.9 Å²	68.9	83%	0.825	37%	0.37	S	S	*	.	S	Bend	trans	-72.7	-24.4	-155.2	-19.8	32.7	0	0	0	116
214	Q	51.4	Low	65.1	Low	149 Å²	149	68 Å²	68	70%	0.696	37%	0.367	S	S	*	.	S	Bend	trans	-172.8	-10.3	-168.2	-109.7	159.2	22.4	0	0	119.8	G212 W216 K217	G212-Q214 PolarHBondContact O-N 2.79Å; Q214-W216 VanDerWaalsContact C-N 3.25Å; Q214-W216 PolarHBondContact O-N 3.14Å; Q214-W216 VanDerWaalsContact O-N 3.14Å; Q214-K217 PolarHBondContact O-N 3.25Å
215	P	56.9	Low	65.1	Low	71 Å²	71	68.1 Å²	68.1	46%	0.461	37%	0.368	S	S	.	.	H	α-helix	trans	-57.1	-36.5	-172.6	-24.8	31.1	0	0	0	114.5	L219	P215-L219 PolarHBondContact O-N 3.22Å
216	W	58.7	Low	65.3	Low	33 Å²	33	68.6 Å²	68.6	13%	0.125	37%	0.37	C	S	.	.	H	α-helix	trans	-73.5	-35.3	-171.9	-66.5	92.3	0	0	0	114.2	L126 I150 V208 S210 Q214 K218 L219 L220	L126-W216 HydrophobicContact CD1-CH2 3.08Å; L126-W216 HydrophobicContact CD1-CZ2 3.39Å; L126-W216 HydrophobicContact CD1-CZ3 3.95Å; L126-W216 HydrophobicContact CD2-CD2 4Å; L126-W216 HydrophobicContact CD2-CE3 4.33Å; L126-W216 HydrophobicContact CD2-CH2 3.54Å; L126-W216 HydrophobicContact CD2-CZ2 3.09Å; L126-W216 HydrophobicContact CD2-CZ3 4.13Å; L126-W216 HydrophobicContact CG-CH2 3.8Å; L126-W216 HydrophobicContact CG-CZ2 3.81Å; L126-W216 HydrophobicContact CG-CZ3 4.44Å; I150-W216 HydrophobicContact CB-CH2 4.32Å; I150-W216 HydrophobicContact CB-CZ2 4.38Å; I150-W216 HydrophobicContact CD1-CH2 3.07Å; I150-W216 HydrophobicContact CD1-CZ2 3.33Å; I150-W216 HydrophobicContact CD1-CZ3 4.17Å; I150-W216 HydrophobicContact CG1-CH2 3.41Å; I150-W216 VanDerWaalsContact CG1-CH2 3.41Å; I150-W216 HydrophobicContact CG1-CZ2 3.22Å; I150-W216 HydrophobicContact CG1-CZ3 4.4Å; I150-W216 HydrophobicContact CG2-CH2 4.25Å; I150-W216 HydrophobicContact CG2-CZ2 4.33Å; V208-W216 HydrophobicContact CG1-CD2 4.27Å; V208-W216 HydrophobicContact CG1-CE3 4.25Å; V208-W216 HydrophobicContact CG1-CG 4.39Å; S210-W216 PolarHBondContact OG-NE1 3.19Å; S210-W216 VanDerWaalsContact OG-NE1 3.12Å; Q214-W216 VanDerWaalsContact C-N 3.25Å; Q214-W216 PolarHBondContact O-N 3.14Å; Q214-W216 VanDerWaalsContact O-N 3.14Å; W216-K218 VanDerWaalsContact C-N 3.3Å; W216-K218 PolarHBondContact O-N 3.11Å; W216-L219 HydrophobicContact CE3-CD1 4.33Å; W216-L219 PolarHBondContact O-N 3.38Å; W216-L220 WeakPolarHBondContact O-CB 3.47Å; W216-L220 VanDerWaalsContact O-CG 3.3Å; W216-L220 WeakPolarHBondContact O-CG 3.4Å; W216-L220 PolarHBondContact O-N 2.83Å
217	K	61.9	Low	65.8	Low	107 Å²	107	68.2 Å²	68.2	47%	0.465	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-37.4	179	-68.8	-168.8	175.7	-166.9	0	111.3	Q214 S221	Q214-K217 PolarHBondContact O-N 3.25Å; K217-S221 WeakPolarHBondContact O-CB 3.21Å; K217-S221 PolarHBondContact O-N 2.99Å; K217-S221 PolarHBondContact O-OG 3.3Å
218	K	60.4	Low	66.6	Low	172 Å²	172	66.5 Å²	66.5	75%	0.748	36%	0.358	S	S	*	.	H	α-helix	trans	-70.7	-43.9	177.5	-165.7	176.4	-179.3	-178.3	0	111.7	W216 L220 S221 D222	W216-K218 VanDerWaalsContact C-N 3.3Å; W216-K218 PolarHBondContact O-N 3.11Å; K218-L220 PolarHBondContact O-N 3.14Å; K218-S221 WeakPolarHBondContact O-CB 3.27Å; K218-S221 PolarHBondContact O-N 3.32Å; K218-S221 VanDerWaalsContact O-N 3.15Å; K218-D222 PolarHBondContact O-N 2.62Å; K218-D222 VanDerWaalsContact O-N 3.15Å
219	L	60.6	Low	67.6	Low	17 Å²	17	65.1 Å²	65.1	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-55.6	-49.1	173.7	-86.9	161.2	0	0	0	113.1	Y122 D125 L126 P215 W216 S221 D222 R223	Y122-L219 HydrophobicContact CD1-CD2 4.2Å; Y122-L219 HydrophobicContact CE1-CD2 4.3Å; D125-L219 HydrophobicContact CB-CD2 3.52Å; L126-L219 HydrophobicContact CD2-CD1 3.48Å; L126-L219 VanDerWaalsContact CD2-CD1 3.48Å; L126-L219 HydrophobicContact CG-CD1 3.78Å; P215-L219 PolarHBondContact O-N 3.22Å; W216-L219 HydrophobicContact CE3-CD1 4.33Å; W216-L219 PolarHBondContact O-N 3.38Å; L219-S221 PolarHBondContact O-N 2.87Å; L219-D222 PolarHBondContact O-N 2.95Å; L219-R223 PolarHBondContact O-N 2.88Å
220	L	63	Low	69.2	Low	22 Å²	22	64 Å²	64	12%	0.115	34%	0.335	C	S	.	.	H	α-helix	trans	-71.5	-14	179.4	-72.7	174.7	0	0	0	113.7	W92 Q101 V208 W216 K218 P225	W92-L220 HydrophobicContact CH2-CB 3.98Å; W92-L220 HydrophobicContact CH2-CD1 4.11Å; W92-L220 HydrophobicContact CZ2-CB 3.68Å; Q101-L220 PolarHBondContact NE2-O 2.8Å; Q101-L220 VanDerWaalsContact NE2-O 3.13Å; V208-L220 HydrophobicContact CG2-CD1 3.89Å; W216-L220 WeakPolarHBondContact O-CB 3.47Å; W216-L220 VanDerWaalsContact O-CG 3.3Å; W216-L220 WeakPolarHBondContact O-CG 3.4Å; W216-L220 PolarHBondContact O-N 2.83Å; K218-L220 PolarHBondContact O-N 3.14Å; L220-P225 HydrophobicContact CD2-CG 4.13Å
221	S	62.9	Low	70.9	Confident	77 Å²	77	62 Å²	62	54%	0.538	32%	0.321	S	S	.	.	H	α-helix	trans	-88.3	-33.4	176.1	-60.5	0	0	0	0	112.2	K217 K218 L219	K217-S221 WeakPolarHBondContact O-CB 3.21Å; K217-S221 PolarHBondContact O-N 2.99Å; K217-S221 PolarHBondContact O-OG 3.3Å; K218-S221 WeakPolarHBondContact O-CB 3.27Å; K218-S221 PolarHBondContact O-N 3.32Å; K218-S221 VanDerWaalsContact O-N 3.15Å; L219-S221 PolarHBondContact O-N 2.87Å
222	D	64.8	Low	72.8	Confident	123 Å²	123	55.2 Å²	55.2	66%	0.658	29%	0.291	S	S	*	.	H	α-helix	trans	-79.4	-34.7	178.1	-160.9	47.5	0	0	0	111.8	K218 L219	K218-D222 PolarHBondContact O-N 2.62Å; K218-D222 VanDerWaalsContact O-N 3.15Å; L219-D222 PolarHBondContact O-N 2.95Å
223	R	75.1	Confident	74.7	Confident	92 Å²	92	53.7 Å²	53.7	35%	0.347	28%	0.276	S	S	.	.	S	Bend	trans	-134.4	104.3	174.5	-64.3	179	-172.3	-100.7	2.3	110.6	Y122 W184 L219	Y122-R223 HydrophobicContact CG-CB 4.44Å; W184-R223 HydrophobicContact CH2-CB 4.09Å; W184-R223 HydrophobicContact CZ2-CB 4.16Å; W184-R223 HydrophobicContact CZ2-CG 4.4Å; L219-R223 PolarHBondContact O-N 2.88Å
224	S	78.1	Confident	76.6	Confident	20 Å²	20	50.4 Å²	50.4	14%	0.14	26%	0.256	C	S	.	.			trans	-69.8	132.5	177	54.4	0	0	0	0	111	K89	K89-S224 WeakPolarHBondContact CE-OG 3.42Å
225	P	87.5	Confident	78.1	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.026	23%	0.23	C	C	.	.			trans	-67.1	157.9	168.5	29.5	-32.1	0	0	0	110.8	A90 F103 L119 H120 L220	A90-P225 HydrophobicContact CB-CG 4.03Å; A90-P225 WeakPolarHBondContact CB-O 3.48Å; A90-P225 PolarHBondContact N-O 3.27Å; F103-P225 HydrophobicContact CZ-CB 4.33Å; F103-P225 HydrophobicContact CZ-CG 4.1Å; L119-P225 HydrophobicContact CD1-CB 4.46Å; H120-P225 WeakPolarHBondContact O-CA 3.48Å; H120-P225 WeakPolarHBondContact O-CB 3.48Å; L220-P225 HydrophobicContact CD2-CG 4.13Å
226	Y	91.4	Very high	79.2	Confident	10 Å²	10	41 Å²	41	4%	0.039	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.8	-179.8	59.2	-91.4	0	0	0	110.4	M61 H64 F88 H120 W184 L228	M61-Y226 HydrophobicContact CB-CD1 3.83Å; M61-Y226 HydrophobicContact CB-CD2 4.35Å; M61-Y226 HydrophobicContact CB-CE1 4.25Å; M61-Y226 HydrophobicContact CB-CG 3.88Å; M61-Y226 HydrophobicContact CG-CD1 4.28Å; M61-Y226 HydrophobicContact CG-CD2 3.96Å; M61-Y226 HydrophobicContact CG-CG 3.8Å; H64-Y226 AromaticContact ND1-CE2 3.59Å; H64-Y226 AromaticContact ND1-CZ 3.66Å; H64-Y226 PolarHBondContact ND1-OH 3.5Å; F88-Y226 CarbonylContact O-C 3.47Å; F88-Y226 WeakPolarHBondContact O-CA 3.36Å; F88-Y226 WeakPolarHBondContact O-CB 3.15Å; H120-Y226 HydrophobicContact CB-CD1 4.29Å; H120-Y226 HydrophobicContact CB-CD2 3.95Å; H120-Y226 HydrophobicContact CB-CE1 3.9Å; H120-Y226 HydrophobicContact CB-CE2 3.51Å; H120-Y226 HydrophobicContact CB-CG 4.31Å; H120-Y226 VanDerWaalsContact CB-CZ 3.48Å; H120-Y226 AromaticContact CG-CE2 3.54Å; H120-Y226 AromaticContact CG-CZ 3.79Å; H120-Y226 PolarHBondContact N-O 2.68Å; H120-Y226 AromaticContact ND1-CE2 3.76Å; H120-Y226 PolarHBondContact O-N 3.25Å; H120-Y226 VanDerWaalsContact O-N 3.15Å; W184-Y226 HydrophobicContact CE3-CE1 4.4Å; W184-Y226 HydrophobicContact CH2-CE1 4.18Å; W184-Y226 HydrophobicContact CZ3-CD1 4.39Å; W184-Y226 AromaticContact CZ3-CE1 3.86Å; W184-Y226 HydrophobicContact CZ3-CE1 3.86Å; Y226-L228 HydrophobicContact CD2-CD2 3.93Å; Y226-L228 HydrophobicContact CD2-CG 4.01Å; Y226-L228 HydrophobicContact CE2-CD1 4.18Å; Y226-L228 HydrophobicContact CE2-CD2 4.14Å; Y226-L228 HydrophobicContact CE2-CG 3.96Å
227	I	92.5	Very high	79.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134	174.6	-64.8	170.5	0	0	0	108	S87 F88 F103 T118 L119 I189 V229	S87-I227 CarbonylContact C-O 3.49Å; S87-I227 WeakPolarHBondContact CA-O 2.95Å; F88-I227 HydrophobicContact CB-CB 4.37Å; F88-I227 PolarHBondContact N-O 3.41Å; F88-I227 PolarHBondContact O-N 2.56Å; F103-I227 HydrophobicContact CB-CD1 4Å; F103-I227 HydrophobicContact CD1-CB 4.45Å; F103-I227 HydrophobicContact CD1-CD1 3.67Å; F103-I227 HydrophobicContact CD1-CG1 3.85Å; F103-I227 HydrophobicContact CD2-CD1 3.83Å; F103-I227 HydrophobicContact CE1-CD1 4.02Å; F103-I227 HydrophobicContact CE1-CG1 3.81Å; F103-I227 HydrophobicContact CE2-CD1 4.21Å; F103-I227 HydrophobicContact CG-CD1 3.54Å; F103-I227 HydrophobicContact CG-CG1 4.24Å; F103-I227 HydrophobicContact CZ-CD1 4.26Å; F103-I227 HydrophobicContact CZ-CG1 4.17Å; T118-I227 WeakPolarHBondContact O-CA 3.13Å; L119-I227 HydrophobicContact CD1-CG1 3.78Å; I189-I227 HydrophobicContact CD1-CD1 3.73Å; I189-I227 HydrophobicContact CD1-CG1 3.9Å; I189-I227 HydrophobicContact CD1-CG2 3.89Å; I227-V229 HydrophobicContact CG2-CG2 3.79Å
228	L	93.6	Very high	80.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.8	166.6	-59.6	-175.4	0	0	0	108.9	H64 M65 L68 R86 A117 T118 Y226 Y230	H64-L228 VanDerWaalsContact CE1-CD1 3.48Å; H64-L228 WeakPolarHBondContact CE1-CD1 3.44Å; M65-L228 HydrophobicContact CG-CD2 4.47Å; M65-L228 HydrophobicContact SD-CD2 3.66Å; L68-L228 HydrophobicContact CD1-CD1 3.96Å; R86-L228 WeakPolarHBondContact O-CA 3.49Å; A117-L228 CarbonylContact C-O 3.57Å; A117-L228 WeakPolarHBondContact CA-O 3.07Å; T118-L228 PolarHBondContact N-O 2.9Å; T118-L228 PolarHBondContact O-N 3.44Å; Y226-L228 HydrophobicContact CD2-CD2 3.93Å; Y226-L228 HydrophobicContact CD2-CG 4.01Å; Y226-L228 HydrophobicContact CE2-CD1 4.18Å; Y226-L228 HydrophobicContact CE2-CD2 4.14Å; Y226-L228 HydrophobicContact CE2-CG 3.96Å; L228-Y230 HydrophobicContact CB-CE2 4.18Å
229	V	93.9	Very high	80.2	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.9	177.3	-177.3	0	0	0	0	108.5	V85 R86 F88 L105 L108 V114 A117 V193 I227	V85-V229 CarbonylContact C-O 3.59Å; V85-V229 VanDerWaalsContact CA-O 3.26Å; V85-V229 WeakPolarHBondContact CA-O 3.48Å; R86-V229 PolarHBondContact N-O 2.93Å; R86-V229 PolarHBondContact O-N 3.47Å; F88-V229 HydrophobicContact CD2-CG2 3.87Å; F88-V229 HydrophobicContact CE2-CB 4.15Å; F88-V229 HydrophobicContact CE2-CG2 3.66Å; L105-V229 HydrophobicContact CD2-CG2 4.4Å; L108-V229 HydrophobicContact CD2-CG1 4.17Å; V114-V229 HydrophobicContact CG1-CG1 3.99Å; V114-V229 HydrophobicContact CG2-CG1 4.08Å; A117-V229 HydrophobicContact CB-CG2 4.23Å; V193-V229 HydrophobicContact CG1-CG2 4.28Å; I227-V229 HydrophobicContact CG2-CG2 3.79Å
230	Y	93.2	Very high	80.2	Confident	29 Å²	29	48.2 Å²	48.2	11%	0.114	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.7	172.7	-62.3	-97.7	0	0	0	108.4	F79 D81 V85 L115 S116 L228	F79-Y230 HydrophobicContact CE1-CD1 4.2Å; D81-Y230 HydrophobicContact CB-CD1 4.19Å; D81-Y230 WeakPolarHBondContact O-CB 3.44Å; V85-Y230 HydrophobicContact CG1-CD1 4.37Å; V85-Y230 HydrophobicContact CG1-CE1 4.18Å; V85-Y230 HydrophobicContact CG2-CD1 3.4Å; V85-Y230 VanDerWaalsContact CG2-CD1 3.4Å; V85-Y230 HydrophobicContact CG2-CE1 3.6Å; V85-Y230 HydrophobicContact CG2-CG 4.2Å; L115-Y230 PolarHBondContact N-O 2.68Å; S116-Y230 PolarHBondContact N-O 3.12Å; S116-Y230 VanDerWaalsContact N-O 3.15Å; S116-Y230 PolarHBondContact O-N 2.92Å; S116-Y230 WeakPolarHBondContact OG-CB 3.49Å; S116-Y230 WeakPolarHBondContact OG-CD2 3.26Å; L228-Y230 HydrophobicContact CB-CE2 4.18Å
231	A	92.6	Very high	80.4	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162	-174.1	0	0	0	0	0	112.4	G82 N83 T84 E112 D113	G82-A231 CarbonylContact C-O 3.57Å; G82-A231 WeakPolarHBondContact CA-O 3.27Å; N83-A231 PolarHBondContact N-O 2.62Å; N83-A231 PolarHBondContact OD1-O 3.12Å; T84-A231 PolarHBondContact N-O 3.07Å; T84-A231 PolarHBondContact O-N 3.02Å; T84-A231 VanDerWaalsContact O-O 3.13Å; E112-A231 HydrophobicContact CB-CB 4.18Å; D113-A231 CarbonylContact O-C 3.55Å; D113-A231 WeakPolarHBondContact O-CA 3.28Å; D113-A231 VanDerWaalsContact O-CB 3.32Å; D113-A231 WeakPolarHBondContact O-CB 3.41Å
232	N	91.3	Very high	80.7	Confident	71 Å²	71	45.5 Å²	45.5	38%	0.38	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.3	171.2	-171.3	39	0	0	0	110.3	N83 E112 D113 L115	N83-N232 PolarHBondContact ND2-OD1 2.76Å; N83-N232 WeakPolarHBondContact OD1-CA 3.15Å; E112-N232 CarbonylContact C-O 3.56Å; D113-N232 PolarHBondContact N-O 2.79Å; D113-N232 PolarHBondContact O-N 2.85Å; L115-N232 HydrophobicContact CD1-CB 4.17Å
233	D	90.2	Very high	80.8	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.5	176.9	-172.7	8.7	0	0	0	110.9	N83 S111 E112 A235 I236 K450	N83-D233 PolarHBondContact ND2-N 2.87Å; N83-D233 PolarHBondContact ND2-O 3.13Å; N83-D233 PolarHBondContact OD1-N 3.32Å; S111-D233 WeakPolarHBondContact CB-OD1 3.29Å; S111-D233 WeakPolarHBondContact O-CA 3.42Å; S111-D233 PolarHBondContact OG-OD1 3.31Å; E112-D233 HydrophobicContact CG-CB 3.71Å; D233-A235 PolarHBondContact O-N 2.87Å; D233-A235 VanDerWaalsContact OD1-CB 3.27Å; D233-A235 WeakPolarHBondContact OD1-CB 3.08Å; D233-A235 PolarHBondContact OD1-N 2.94Å; D233-I236 HydrophobicContact CB-CD1 3.96Å; D233-I236 HydrophobicContact CB-CG1 3.81Å; D233-I236 WeakPolarHBondContact OD2-CG1 3.37Å; D233-K450 WeakPolarHBondContact OD2-CE 3.33Å; D233-K450 IonicContact OD2-NZ 2.75Å; D233-K450 PolarHBondContact OD2-NZ 3.07Å
234	S	87.6	Confident	80.2	Confident	58 Å²	58	40.9 Å²	40.9	41%	0.406	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-69.1	-20.7	175.2	56.7	0	0	0	0	113	S111 I236 S237	S111-S234 PolarHBondContact O-N 3.23Å; S111-S234 PolarHBondContact O-OG 2.85Å; S234-I236 VanDerWaalsContact C-N 3.26Å; S234-I236 PolarHBondContact O-N 2.75Å; S234-S237 PolarHBondContact O-N 3.2Å; S234-S237 PolarHBondContact O-OG 3.08Å
235	A	83.9	Confident	79.7	Confident	19 Å²	19	40 Å²	40	16%	0.157	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66	-30.4	179.9	0	0	0	0	0	111.8	D233 S237 S241	D233-A235 PolarHBondContact O-N 2.87Å; D233-A235 VanDerWaalsContact OD1-CB 3.27Å; D233-A235 WeakPolarHBondContact OD1-CB 3.08Å; D233-A235 PolarHBondContact OD1-N 2.94Å; A235-S237 VanDerWaalsContact C-N 3.34Å; A235-S237 PolarHBondContact O-N 2.82Å; A235-S241 WeakPolarHBondContact O-CB 3.33Å; A235-S241 PolarHBondContact O-OG 2.79Å
236	I	79.6	Confident	78.9	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-76.8	-20.5	-175.8	-27.5	170	0	0	0	113.1	N83 D233 S234 E238 V242 K450 Y452 P453	N83-I236 WeakPolarHBondContact ND2-CD1 3.23Å; D233-I236 HydrophobicContact CB-CD1 3.96Å; D233-I236 HydrophobicContact CB-CG1 3.81Å; D233-I236 WeakPolarHBondContact OD2-CG1 3.37Å; S234-I236 VanDerWaalsContact C-N 3.26Å; S234-I236 PolarHBondContact O-N 2.75Å; I236-E238 PolarHBondContact O-N 2.86Å; I236-V242 HydrophobicContact CG2-CG2 4.15Å; I236-K450 HydrophobicContact CD1-CD 3.97Å; I236-K450 HydrophobicContact CD1-CG 3.74Å; I236-Y452 HydrophobicContact CG2-CD1 3.51Å; I236-Y452 HydrophobicContact CG2-CE1 3.94Å; I236-Y452 HydrophobicContact CG2-CG 4.41Å; I236-P453 HydrophobicContact CG2-CG 4.16Å; I236-P453 WeakPolarHBondContact O-CG 3.42Å
237	S	70.3	Confident	77.4	Confident	86 Å²	86	44.5 Å²	44.5	60%	0.601	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-70.1	-16.7	178.1	38.4	0	0	0	0	113	S234 A235	S234-S237 PolarHBondContact O-N 3.2Å; S234-S237 PolarHBondContact O-OG 3.08Å; A235-S237 VanDerWaalsContact C-N 3.34Å; A235-S237 PolarHBondContact O-N 2.82Å
238	E	72.6	Confident	75.7	Confident	105 Å²	105	49.5 Å²	49.5	49%	0.491	27%	0.273	S	S	.	.	S	Bend	trans	-79.7	130.6	177.2	-66.3	-64.4	158.3	0	0	111.1	I236 E240 S241	I236-E238 PolarHBondContact O-N 2.86Å; E238-E240 VanDerWaalsContact C-N 3.27Å; E238-E240 PolarHBondContact O-N 2.99Å; E238-E240 VanDerWaalsContact O-N 3.13Å; E238-S241 WeakPolarHBondContact O-CB 3.42Å; E238-S241 PolarHBondContact O-N 3.15Å
239	P	58.6	Low	73.9	Confident	110 Å²	110	50.5 Å²	50.5	71%	0.714	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.9	-168.5	22.7	-33	0	0	0	115.1
240	E	61.6	Low	71.6	Confident	180 Å²	180	56 Å²	56	84%	0.841	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.3	178	-62.9	-166.7	161.2	0	0	113.8	E238	E238-E240 VanDerWaalsContact C-N 3.27Å; E238-E240 PolarHBondContact O-N 2.99Å; E238-E240 VanDerWaalsContact O-N 3.13Å
241	S	67.4	Low	69.1	Low	21 Å²	21	59.5 Å²	59.5	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-91	-18.9	-166.8	-177	0	0	0	0	114.4	A235 E238 V243 A244 T245	A235-S241 WeakPolarHBondContact O-CB 3.33Å; A235-S241 PolarHBondContact O-OG 2.79Å; E238-S241 WeakPolarHBondContact O-CB 3.42Å; E238-S241 PolarHBondContact O-N 3.15Å; S241-V243 VanDerWaalsContact C-N 3.34Å; S241-V243 PolarHBondContact O-N 3.4Å; S241-A244 PolarHBondContact O-N 2.55Å; S241-T245 WeakPolarHBondContact O-CB 3.32Å; S241-T245 PolarHBondContact O-N 2.85Å; S241-T245 PolarHBondContact O-OG1 3.29Å
242	V	69.1	Low	66.7	Low	21 Å²	21	65 Å²	65	13%	0.127	36%	0.361	C	S	.	.	H	α-helix	trans	-57.5	-48.9	-178.3	174.1	0	0	0	0	110.9	I236 T245 L246 Y452 M455	I236-V242 HydrophobicContact CG2-CG2 4.15Å; V242-T245 PolarHBondContact O-N 3.49Å; V242-L246 HydrophobicContact CG1-CD1 3.78Å; V242-L246 WeakPolarHBondContact O-CG 3.12Å; V242-L246 PolarHBondContact O-N 2.66Å; V242-Y452 HydrophobicContact CB-CD1 4.32Å; V242-Y452 HydrophobicContact CG1-CD1 3.64Å; V242-Y452 HydrophobicContact CG1-CE1 4.17Å; V242-Y452 HydrophobicContact CG1-CG 4.38Å; V242-Y452 HydrophobicContact CG2-CD1 4.21Å; V242-M455 HydrophobicContact CG1-SD 3.82Å
243	V	67.1	Low	63.9	Low	72 Å²	72	64.9 Å²	64.9	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-43.2	179.3	177.7	0	0	0	0	110.7	S241 T245 L246 Q247	S241-V243 VanDerWaalsContact C-N 3.34Å; S241-V243 PolarHBondContact O-N 3.4Å; V243-T245 VanDerWaalsContact C-N 3.25Å; V243-T245 PolarHBondContact O-N 2.86Å; V243-L246 PolarHBondContact O-N 2.89Å; V243-Q247 HydrophobicContact CG1-CG 3.79Å; V243-Q247 VanDerWaalsContact CG1-NE2 3.29Å; V243-Q247 WeakPolarHBondContact O-CB 3.35Å; V243-Q247 VanDerWaalsContact O-CG 3.24Å; V243-Q247 WeakPolarHBondContact O-CG 3.44Å; V243-Q247 PolarHBondContact O-N 3Å
244	A	62.8	Low	61.1	Low	45 Å²	45	68.6 Å²	68.6	37%	0.372	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-30.7	177.8	0	0	0	0	0	113.2	S241 R248	S241-A244 PolarHBondContact O-N 2.55Å; A244-R248 PolarHBondContact O-N 2.94Å; A244-R248 PolarHBondContact O-NE 3.44Å
245	T	67.7	Low	58.4	Low	2 Å²	2	75.7 Å²	75.7	1%	0.012	44%	0.442	C	S	.	.	H	α-helix	trans	-74.5	-39.8	176.7	-56.7	0	0	0	0	111.1	S241 V242 V243 H249 K450 Y452	S241-T245 WeakPolarHBondContact O-CB 3.32Å; S241-T245 PolarHBondContact O-N 2.85Å; S241-T245 PolarHBondContact O-OG1 3.29Å; V242-T245 PolarHBondContact O-N 3.49Å; V243-T245 VanDerWaalsContact C-N 3.25Å; V243-T245 PolarHBondContact O-N 2.86Å; T245-H249 PolarHBondContact O-CD2 3.05Å; T245-H249 VanDerWaalsContact O-CD2 3.3Å; T245-H249 PolarHBondContact O-NE2 2.93Å; T245-K450 VanDerWaalsContact CG2-NZ 3.32Å; T245-Y452 HydrophobicContact CG2-CE1 4.2Å
246	L	69.2	Low	55.8	Low	1 Å²	1	78.1 Å²	78.1	1%	0.005	47%	0.469	C	S	.	.	H	α-helix	trans	-78.1	-34.8	178.9	-65.3	163.3	0	0	0	111.9	V242 V243 W375 W378 I438 Y452	V242-L246 HydrophobicContact CG1-CD1 3.78Å; V242-L246 WeakPolarHBondContact O-CG 3.12Å; V242-L246 PolarHBondContact O-N 2.66Å; V243-L246 PolarHBondContact O-N 2.89Å; L246-W375 HydrophobicContact CB-CE3 4.47Å; L246-W375 HydrophobicContact CB-CH2 3.91Å; L246-W375 HydrophobicContact CB-CZ2 4.24Å; L246-W375 HydrophobicContact CB-CZ3 4.05Å; L246-W375 HydrophobicContact CD1-CE3 4.35Å; L246-W375 HydrophobicContact CD1-CH2 3.76Å; L246-W375 HydrophobicContact CD1-CZ3 3.48Å; L246-W375 VanDerWaalsContact CD1-CZ3 3.48Å; L246-W375 HydrophobicContact CG-CH2 4.47Å; L246-W375 HydrophobicContact CG-CZ3 4.28Å; L246-W378 HydrophobicContact CB-CH2 3.79Å; L246-W378 HydrophobicContact CB-CZ2 4.26Å; L246-W378 HydrophobicContact CD2-CH2 3.37Å; L246-W378 HydrophobicContact CD2-CZ3 3.73Å; L246-W378 HydrophobicContact CG-CH2 4.13Å; L246-I438 HydrophobicContact CD2-CD1 4.49Å; L246-Y452 HydrophobicContact CD1-CE1 4.26Å; L246-Y452 HydrophobicContact CD2-CE1 4.1Å; L246-Y452 HydrophobicContact CD2-CE2 3.76Å; L246-Y452 VanDerWaalsContact CD2-CZ 3.45Å; L246-Y452 WeakPolarHBondContact CD2-OH 3.4Å; L246-Y452 HydrophobicContact CG-CE1 4.02Å
247	Q	61.2	Low	54	Low	108 Å²	108	83 Å²	83	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-73.1	-25.2	179.7	-77.8	-178.7	-16.9	0	0	114.2	V243 H249 H250	V243-Q247 HydrophobicContact CG1-CG 3.79Å; V243-Q247 VanDerWaalsContact CG1-NE2 3.29Å; V243-Q247 WeakPolarHBondContact O-CB 3.35Å; V243-Q247 VanDerWaalsContact O-CG 3.24Å; V243-Q247 WeakPolarHBondContact O-CG 3.44Å; V243-Q247 PolarHBondContact O-N 3Å; Q247-H249 PolarHBondContact O-N 3.43Å; Q247-H249 VanDerWaalsContact O-N 3.11Å; Q247-H250 WeakPolarHBondContact O-CB 3.46Å; Q247-H250 PolarHBondContact O-N 3.26Å
248	R	56.8	Low	52.4	Low	104 Å²	104	85.6 Å²	85.6	39%	0.392	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-51.2	-36.2	175	-110.6	177.8	-88.9	147.9	-7.1	111.5	A244 H250 S251	A244-R248 PolarHBondContact O-N 2.94Å; A244-R248 PolarHBondContact O-NE 3.44Å; R248-H250 VanDerWaalsContact C-N 3.3Å; R248-H250 PolarHBondContact O-N 3.1Å; R248-S251 PolarHBondContact O-OG 3.09Å
249	H	55.3	Low	50.6	Low	22 Å²	22	85.6 Å²	85.6	10%	0.102	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-75.2	-7.4	-179.7	-52.7	-59.3	0	0	0	115.3	T245 Q247 S251 W378 F440 D442	T245-H249 PolarHBondContact O-CD2 3.05Å; T245-H249 VanDerWaalsContact O-CD2 3.3Å; T245-H249 PolarHBondContact O-NE2 2.93Å; Q247-H249 PolarHBondContact O-N 3.43Å; Q247-H249 VanDerWaalsContact O-N 3.11Å; H249-S251 PolarHBondContact O-N 2.99Å; H249-W378 HydrophobicContact CB-CD2 4.14Å; H249-W378 HydrophobicContact CB-CE3 4.38Å; H249-W378 HydrophobicContact CB-CG 4.32Å; H249-F440 AromaticContact CD2-CE2 3.85Å; H249-F440 AromaticContact CE1-CE2 3.92Å; H249-F440 AromaticContact NE2-CE2 3.42Å; H249-F440 WeakPolarHBondContact NE2-CE2 3.42Å; H249-D442 IonicContact CE1-OD1 3.97Å; H249-D442 PolarHBondContact CE1-OD1 3.23Å; H249-D442 IonicContact ND1-OD1 2.87Å; H249-D442 PolarHBondContact ND1-OD1 2.91Å
250	H	45.2	Very low	49.3	Very low	117 Å²	117	87.8 Å²	87.8	54%	0.542	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-80.6	0.4	179	-160.2	-68.4	0	0	0	113.1	Q247 R248 L252	Q247-H250 WeakPolarHBondContact O-CB 3.46Å; Q247-H250 PolarHBondContact O-N 3.26Å; R248-H250 VanDerWaalsContact C-N 3.3Å; R248-H250 PolarHBondContact O-N 3.1Å; H250-L252 PolarHBondContact O-N 3.49Å
251	S	41.5	Very low	47.8	Very low	102 Å²	102	82.5 Å²	82.5	71%	0.713	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-80	8.8	-174	-50.6	0	0	0	0	114.8	R248 H249	R248-S251 PolarHBondContact O-OG 3.09Å; H249-S251 PolarHBondContact O-N 2.99Å
252	L	42.3	Very low	46.4	Very low	115 Å²	115	88.7 Å²	88.7	60%	0.602	54%	0.535	S	S	*	.	S	Bend	trans	-116.5	70.5	-178.3	-91.4	136.4	0	0	0	111.4	H250	H250-L252 PolarHBondContact O-N 3.49Å
253	G	32.9	Very low	44.8	Very low	70 Å²	70	95.3 Å²	95.3	72%	0.722	56%	0.564	S	S	*	*	S	Bend	trans	170.7	102.8	167.5	0	0	0	0	0	115.4
254	G	30.2	Very low	43.1	Very low	80 Å²	80	100.2 Å²	100.2	83%	0.825	58%	0.58	S	S	*	*			trans	93.1	131.3	154.6	0	0	0	0	0	117.2
255	E	32.1	Very low	41.6	Very low	206 Å²	206	105.5 Å²	105.5	96%	0.963	60%	0.601	S	S	*	*			trans	-51.3	146.2	-178.8	-62.1	168.3	140.5	0	0	115.4
256	G	29.3	Very low	40	Very low	70 Å²	70	116.5 Å²	116.5	72%	0.722	64%	0.642	S	S	*	*			trans	117.9	78.2	153.6	0	0	0	0	0	117.7	I258	G256-I258 PolarHBondContact O-N 3.4Å
257	S	40.6	Very low	38.3	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	68%	0.681	S	S	*	*			trans	11.8	96.7	141.3	168.3	0	0	0	0	118
258	I	36.6	Very low	37	Very low	140 Å²	140	130.5 Å²	130.5	72%	0.718	70%	0.698	S	S	*	*			trans	-140.3	-22	149.7	-57.2	-176.3	0	0	0	114.1	G256	G256-I258 PolarHBondContact O-N 3.4Å
259	S	35.7	Very low	36	Very low	105 Å²	105	132.6 Å²	132.6	73%	0.734	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-20.5	-174.2	59.1	0	0	0	0	115.8
260	H	30.2	Very low	35.2	Very low	156 Å²	156	139.6 Å²	139.6	72%	0.722	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-9.3	-178.9	-100.4	-74.4	0	0	0	115.2
261	S	31.2	Very low	34.6	Very low	69 Å²	69	140.3 Å²	140.3	48%	0.483	77%	0.768	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-15.6	-175.9	-60.5	0	0	0	0	114.3
262	L	37	Very low	34.3	Very low	152 Å²	152	144.4 Å²	144.4	80%	0.796	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-19.3	179.7	-115.1	91.6	0	0	0	114.5
263	Q	35.2	Very low	33.8	Very low	159 Å²	159	148.4 Å²	148.4	74%	0.743	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-21.6	174.9	-91.4	176.1	-19.9	0	0	113.4
264	K	32.7	Very low	33.8	Very low	175 Å²	175	154.5 Å²	154.5	76%	0.761	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-1.4	-178.5	-107.7	177.4	179.4	175.9	0	115.6
265	L	30.9	Very low	33.9	Very low	156 Å²	156	160 Å²	160	82%	0.817	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	7.3	179.6	-117.5	132.4	0	0	0	114.2
266	R	33.5	Very low	34.1	Very low	234 Å²	234	159 Å²	159	88%	0.883	80%	0.801	S	S	*	*	S	Bend	trans	-112.6	2.7	177.9	-147	174.7	-176.7	-176.6	0.3	114.9
267	E	33.7	Very low	34.2	Very low	173 Å²	173	164.2 Å²	164.2	81%	0.808	81%	0.811	S	S	*	*	S	Bend	trans	-112.8	14.3	-177.2	-71.1	-171.2	157.5	0	0	114.6
268	R	34.5	Very low	33.9	Very low	229 Å²	229	171.2 Å²	171.2	86%	0.864	82%	0.821	S	S	*	*	S	Bend	trans	-121	10.9	-175.7	-136.5	179.9	-175.6	176.1	1.4	118.1
269	N	36.4	Very low	34	Very low	149 Å²	149	169.9 Å²	169.9	80%	0.797	82%	0.824	S	S	*	*	S	Bend	trans	-137.6	90.8	166.1	-80.4	-19.5	0	0	0	108.2
270	N	37.2	Very low	33.8	Very low	169 Å²	169	176.3 Å²	176.3	90%	0.904	83%	0.832	S	S	*	*			trans	177.2	70.1	152.3	-86.2	-12.5	0	0	0	108.3
271	T	33.3	Very low	34	Very low	131 Å²	131	177.6 Å²	177.6	80%	0.804	84%	0.838	S	S	*	*			trans	-118.2	136.7	156	42.7	0	0	0	0	106.3
272	E	35.1	Very low	34.3	Very low	189 Å²	189	184.3 Å²	184.3	88%	0.883	86%	0.859	S	S	*	*	S	Bend	trans	92.7	53.1	-175.3	-52.3	-178.2	179.4	0	0	116.6
273	Q	32.7	Very low	34.1	Very low	199 Å²	199	188.5 Å²	188.5	93%	0.93	86%	0.864	S	S	*	*	S	Bend	trans	-164.5	27.4	146.2	-114.5	171	31.9	0	0	116.4
274	E	31.6	Very low	34.2	Very low	197 Å²	197	185.9 Å²	185.9	92%	0.921	86%	0.863	S	S	*	*			trans	-127	48.7	-174.9	-140.7	175.9	-165.3	0	0	113.9
275	Q	32.9	Very low	34.5	Very low	197 Å²	197	182.3 Å²	182.3	92%	0.921	87%	0.866	S	S	*	*	S	Bend	trans	-114	12.3	174.8	-97.3	-176.1	-2.5	0	0	115.5
276	Q	35	Very low	35.1	Very low	185 Å²	185	181.9 Å²	181.9	86%	0.864	87%	0.865	S	S	*	*	S	Bend	trans	-126.3	8.5	-176	-104.4	-176.5	-2.1	0	0	119.1
277	L	33	Very low	35.3	Very low	178 Å²	178	176.1 Å²	176.1	93%	0.932	86%	0.855	S	S	*	*			trans	-135.2	56.8	175.5	-83.5	159.3	0	0	0	113.1
278	R	33.8	Very low	35.6	Very low	253 Å²	253	175.6 Å²	175.6	96%	0.955	86%	0.857	S	S	*	*			trans	-96.5	87.9	158.1	-79.9	-167.4	178.1	-161.8	1.1	110.1
279	S	38.8	Very low	35.9	Very low	112 Å²	112	170.1 Å²	170.1	78%	0.783	84%	0.844	S	S	*	*			trans	-174.6	84	138.4	-169.6	0	0	0	0	110.1
280	R	31.4	Very low	36.2	Very low	240 Å²	240	168.1 Å²	168.1	91%	0.906	84%	0.84	S	S	*	*			trans	-141.7	117.2	150	-108.2	-179.1	-173.4	170.7	2.9	107.7	K282	R280-K282 PolarHBondContact O-N 3.05Å; R280-K282 VanDerWaalsContact O-N 3.07Å
281	H	34.1	Very low	36.4	Very low	183 Å²	183	167.5 Å²	167.5	85%	0.847	84%	0.835	S	S	*	*			trans	-50.7	113	170.7	-90.7	45.4	0	0	0	109.6	R283	H281-R283 PolarHBondContact O-N 3.13Å; H281-R283 VanDerWaalsContact O-N 3.15Å
282	K	37.5	Very low	36.6	Very low	211 Å²	211	168 Å²	168	92%	0.917	83%	0.829	S	S	*	*			trans	-69	104.7	162.5	-95.3	-178.7	174.5	178.4	0	106.9	R280 S284	R280-K282 PolarHBondContact O-N 3.05Å; R280-K282 VanDerWaalsContact O-N 3.07Å; K282-S284 PolarHBondContact O-N 2.63Å
283	R	33.2	Very low	37.1	Very low	240 Å²	240	163.9 Å²	163.9	91%	0.906	81%	0.813	S	S	*	*			trans	-64.8	122.9	161.9	-74.1	-179.4	176.3	160.6	-1.6	107.1	H281 A285	H281-R283 PolarHBondContact O-N 3.13Å; H281-R283 VanDerWaalsContact O-N 3.15Å; R283-A285 PolarHBondContact O-N 3.48Å
284	S	37.7	Very low	37.6	Very low	103 Å²	103	160.7 Å²	160.7	72%	0.72	80%	0.802	S	S	*	*			trans	-61.4	111.9	171.2	50.6	0	0	0	0	109.2	K282 N286	K282-S284 PolarHBondContact O-N 2.63Å; S284-N286 PolarHBondContact O-N 3.32Å; S284-N286 VanDerWaalsContact O-N 3.15Å
285	A	37.8	Very low	38.5	Very low	100 Å²	100	159.3 Å²	159.3	83%	0.826	80%	0.796	S	S	*	*			trans	-84.8	65.8	166.8	0	0	0	0	0	109.1	R283	R283-A285 PolarHBondContact O-N 3.48Å
286	N	44.1	Very low	39	Very low	147 Å²	147	157.5 Å²	157.5	79%	0.786	79%	0.792	S	S	*	*			trans	-96.7	72.8	166.3	-78	-12.5	0	0	0	108.5	S284	S284-N286 PolarHBondContact O-N 3.32Å; S284-N286 VanDerWaalsContact O-N 3.15Å
287	V	37.8	Very low	39	Very low	114 Å²	114	154.5 Å²	154.5	69%	0.691	79%	0.788	S	S	*	*			trans	-150.9	100.9	155.2	-172.3	0	0	0	0	106.7	L289	V287-L289 VanDerWaalsContact C-N 3.32Å; V287-L289 HydrophobicContact CG1-CD2 4.2Å; V287-L289 HydrophobicContact CG1-CG 3.93Å; V287-L289 PolarHBondContact O-N 3.44Å; V287-L289 VanDerWaalsContact O-N 3.08Å
288	L	40.3	Very low	39.2	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	78%	0.775	S	S	*	*			trans	-72.7	92.9	162	-81.1	167.2	0	0	0	107.2
289	L	40.4	Very low	39.5	Very low	114 Å²	114	141.9 Å²	141.9	60%	0.597	76%	0.761	S	S	*	*			trans	-74.1	134.9	158.2	-71.6	171.1	0	0	0	107.2	V287 L291	V287-L289 VanDerWaalsContact C-N 3.32Å; V287-L289 HydrophobicContact CG1-CD2 4.2Å; V287-L289 HydrophobicContact CG1-CG 3.93Å; V287-L289 PolarHBondContact O-N 3.44Å; V287-L289 VanDerWaalsContact O-N 3.08Å; L289-L291 PolarHBondContact O-N 3.42Å
290	P	42.2	Very low	39.2	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	77%	0.766	S	S	*	*			trans	-51.6	139.3	165.2	-17.7	28.9	0	0	0	107.8	Q292	P290-Q292 PolarHBondContact O-N 2.76Å
291	L	41.3	Very low	39.2	Very low	155 Å²	155	143.5 Å²	143.5	81%	0.812	76%	0.76	S	S	*	*			trans	-43.3	102.9	171.4	-77.3	159.9	0	0	0	108.4	L289 N293	L289-L291 PolarHBondContact O-N 3.42Å; L291-N293 PolarHBondContact O-N 2.96Å
292	Q	38.7	Very low	39.2	Very low	142 Å²	142	140.7 Å²	140.7	66%	0.664	76%	0.757	S	S	*	*			trans	-69.1	107.3	179.6	-80.9	178.4	-23.3	0	0	106.1	P290 N294	P290-Q292 PolarHBondContact O-N 2.76Å; Q292-N294 PolarHBondContact O-N 2.92Å; Q292-N294 VanDerWaalsContact O-N 3.1Å
293	N	45.2	Very low	39	Very low	102 Å²	102	140.3 Å²	140.3	55%	0.545	75%	0.752	S	S	.	*			trans	-63.1	112.3	162.4	-61.1	-19.1	0	0	0	105.4	L291 E295	L291-N293 PolarHBondContact O-N 2.96Å; N293-E295 HydrophobicContact CB-CG 4.34Å; N293-E295 PolarHBondContact O-N 2.81Å
294	N	41.8	Very low	39	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	75%	0.748	S	S	*	*			trans	-70.4	52	171.8	-73.7	-27.6	0	0	0	110.4	Q292	Q292-N294 PolarHBondContact O-N 2.92Å; Q292-N294 VanDerWaalsContact O-N 3.1Å
295	E	50.7	Low	39.1	Very low	167 Å²	167	138.3 Å²	138.3	78%	0.78	75%	0.75	S	S	*	*			trans	-85.3	108.6	170.7	-75.1	-174.9	161.9	0	0	108	N293	N293-E295 HydrophobicContact CB-CG 4.34Å; N293-E295 PolarHBondContact O-N 2.81Å
296	L	43.3	Very low	38.7	Very low	160 Å²	160	144 Å²	144	84%	0.838	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.9	142.9	163.8	-78.6	157.9	0	0	0	108.8	G298	L296-G298 PolarHBondContact O-N 2.9Å; L296-G298 VanDerWaalsContact O-N 3.12Å
297	P	36	Very low	38.3	Very low	122 Å²	122	139.8 Å²	139.8	79%	0.792	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62.2	118.1	175.9	25.1	-30	0	0	0	108.8
298	G	37.7	Very low	38	Very low	64 Å²	64	145.6 Å²	145.6	66%	0.66	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.3	140.3	179.8	0	0	0	0	0	111.2	L296 E300	L296-G298 PolarHBondContact O-N 2.9Å; L296-G298 VanDerWaalsContact O-N 3.12Å; G298-E300 PolarHBondContact O-N 3.34Å
299	P	40.3	Very low	37.4	Very low	102 Å²	102	144.1 Å²	144.1	66%	0.662	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-71.3	125	170.2	27.6	-30.5	0	0	0	109.9	Y301	P299-Y301 HydrophobicContact CB-CD2 4.21Å; P299-Y301 HydrophobicContact CB-CE2 3.81Å; P299-Y301 HydrophobicContact CG-CD2 4.27Å; P299-Y301 HydrophobicContact CG-CE2 3.83Å; P299-Y301 PolarHBondContact O-N 3.19Å
300	E	32.4	Very low	37.3	Very low	190 Å²	190	146.9 Å²	146.9	89%	0.888	75%	0.754	S	S	*	*			trans	-65	115.3	165.8	-76.7	173	161.3	0	0	108.9	G298	G298-E300 PolarHBondContact O-N 3.34Å
301	Y	31.3	Very low	36.8	Very low	196 Å²	196	148.1 Å²	148.1	77%	0.769	76%	0.76	S	S	*	*			trans	-115.1	121.6	163.5	-75.3	-75.3	0	0	0	109.3	P299	P299-Y301 HydrophobicContact CB-CD2 4.21Å; P299-Y301 HydrophobicContact CB-CE2 3.81Å; P299-Y301 HydrophobicContact CG-CD2 4.27Å; P299-Y301 HydrophobicContact CG-CE2 3.83Å; P299-Y301 PolarHBondContact O-N 3.19Å
302	P	33.6	Very low	37	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-81.1	123.5	167.9	30.8	-26.8	0	0	0	108.5
303	Y	34.2	Very low	36.8	Very low	204 Å²	204	144 Å²	144	80%	0.8	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-101.5	116.5	163.6	66	-89.6	0	0	0	109.1
304	E	33.1	Very low	36.2	Very low	178 Å²	178	148.1 Å²	148.1	83%	0.832	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-78.1	127.3	161.4	-73.8	-176	162.8	0	0	108.7	R306	E304-R306 PolarHBondContact O-N 2.73Å
305	T	38.2	Very low	35.9	Very low	123 Å²	123	150.3 Å²	150.3	76%	0.755	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-74.2	116.1	174.9	-47.7	0	0	0	0	109.9
306	R	29.8	Very low	35.5	Very low	218 Å²	218	146.1 Å²	146.1	82%	0.823	76%	0.759	S	S	*	*			trans	-121.6	118.9	156	-77.9	-169.2	178.9	-169.1	0.3	109.3	E304	E304-R306 PolarHBondContact O-N 2.73Å
307	G	36.2	Very low	35.1	Very low	60 Å²	60	146.9 Å²	146.9	62%	0.619	76%	0.763	S	S	*	*			trans	-75.3	151.5	169.4	0	0	0	0	0	111.2
308	W	30.4	Very low	35	Very low	236 Å²	236	150 Å²	150	89%	0.894	77%	0.766	S	S	*	*			trans	-151.3	143.3	158.6	-88.6	99.4	0	0	0	110.5
309	D	29.6	Very low	34.8	Very low	129 Å²	129	154 Å²	154	69%	0.69	77%	0.773	S	S	*	*			trans	-67.8	166.7	-169	-74.5	-52.2	0	0	0	116.7
310	E	36.6	Very low	34.3	Very low	173 Å²	173	158.3 Å²	158.3	81%	0.808	78%	0.781	S	S	*	*			trans	12.8	124.9	139.4	-59.5	179.5	145	0	0	117.4
311	T	33.1	Very low	34.4	Very low	134 Å²	134	157.3 Å²	157.3	82%	0.822	78%	0.776	S	S	*	*				-179.5	112.3	110.6	-64.7	0	0	0	0	109
312	S	44.6	Very low	35	Very low	86 Å²	86	153.2 Å²	153.2	60%	0.601	77%	0.774	S	S	*	*			trans	-75.9	137.2	162.3	165.7	0	0	0	0	109.8
313	P	34.4	Very low	34.9	Very low	125 Å²	125	159 Å²	159	81%	0.812	78%	0.78	S	S	*	*			trans	-94	107.8	157	-0.4	20.5	0	0	0	109.4
314	Y	32.1	Very low	35.3	Very low	187 Å²	187	160.7 Å²	160.7	73%	0.733	78%	0.784	S	S	*	*			trans	-59.8	157.8	164	-96.1	-87.2	0	0	0	110.1
315	E	36.2	Very low	35.7	Very low	180 Å²	180	158.4 Å²	158.4	84%	0.841	79%	0.785	S	S	*	*				-165.2	161.5	82.3	-91	-90.5	129.4	0	0	113.9
316	P	42.2	Very low	35.6	Very low	78 Å²	78	163.3 Å²	163.3	51%	0.506	79%	0.79	S	S	.	*			trans	-111.6	167.4	-148.4	41.2	-31.6	0	0	0	113.7
317	I	36	Very low	35.8	Very low	177 Å²	177	161.8 Å²	161.8	91%	0.908	79%	0.789	S	S	*	*			trans	-136.3	137.6	158.3	-60.6	-177.8	0	0	0	110.6
318	E	33.3	Very low	35.6	Very low	186 Å²	186	167.3 Å²	167.3	87%	0.869	80%	0.796	S	S	*	*			trans	-76.9	172.8	-160.4	-69.1	179.9	119.8	0	0	118.6
319	N	33.5	Very low	35.9	Very low	149 Å²	149	162.3 Å²	162.3	80%	0.797	79%	0.792	S	S	*	*			trans	-62.2	168.1	-175.8	-71.8	-49.9	0	0	0	119.3
320	K	29.7	Very low	36.1	Very low	192 Å²	192	168.1 Å²	168.1	84%	0.835	80%	0.804	S	S	*	*			trans	108.8	131.6	151.8	-64	177.6	-174.7	173.6	0	113.8
321	Q	33.8	Very low	36.1	Very low	170 Å²	170	167.7 Å²	167.7	79%	0.794	80%	0.799	S	S	*	*			cis	-164.1	169.9	2.6	-107.3	-147.7	0.4	0	0	108.9
322	P	44.4	Very low	36.1	Very low	109 Å²	109	169.5 Å²	169.5	71%	0.708	80%	0.804	S	S	*	*			trans	-88.7	137.5	-172.7	34.7	-30.7	0	0	0	112.6
323	R	32.6	Very low	35.8	Very low	246 Å²	246	173.2 Å²	173.2	93%	0.928	81%	0.812	S	S	*	*			trans	-143.4	115.6	162.4	-72.2	-169.9	166.7	161	-3.8	111.4
324	R	40.9	Very low	35.9	Very low	238 Å²	238	178.3 Å²	178.3	90%	0.898	82%	0.815	S	S	*	*			trans	-96.6	146.4	154.5	-74.6	-176.2	175	178.9	-0.6	108
325	P	41.9	Very low	36.3	Very low	130 Å²	130	175.4 Å²	175.4	84%	0.844	82%	0.819	S	S	*	*				-134	154.2	117	26.4	-9.5	0	0	0	113.7
326	R	36.6	Very low	36.4	Very low	227 Å²	227	176.4 Å²	176.4	86%	0.857	82%	0.82	S	S	*	*			trans	-77.6	139.1	178.7	-66.1	164.6	149.7	156.3	-7.6	110.9
327	K	34.2	Very low	36.1	Very low	185 Å²	185	179.3 Å²	179.3	80%	0.804	83%	0.831	S	S	*	*				159.6	140.5	106.2	-109.1	175.5	177.5	169.6	0	114.3
328	K	32.6	Very low	36.2	Very low	176 Å²	176	177 Å²	177	77%	0.765	83%	0.828	S	S	*	*			trans	86.2	95.4	146.2	-70.8	-178.5	179.1	-175.3	0	121.3
329	V	36.2	Very low	36.4	Very low	132 Å²	132	175.9 Å²	175.9	80%	0.8	83%	0.827	S	S	*	*				41.9	114.3	121.6	-173.6	0	0	0	0	118.7
330	R	33.8	Very low	36.6	Very low	250 Å²	250	175.6 Å²	175.6	94%	0.943	83%	0.825	S	S	*	*			trans	-146.8	124.3	132.2	-130.4	171.3	173.8	165.2	-2.9	110.9
331	K	36.9	Very low	37.3	Very low	164 Å²	164	175.7 Å²	175.7	71%	0.713	83%	0.829	S	S	*	*			trans	-53	137.7	177.4	-83.4	172	168.8	175.3	0	110.9
332	N	32.1	Very low	37.8	Very low	173 Å²	173	173.8 Å²	173.8	93%	0.925	82%	0.818	S	S	*	*			trans	-139.9	121.6	139.6	-98.8	-14.6	0	0	0	109.6
333	Q	39.3	Very low	38.7	Very low	163 Å²	163	173.8 Å²	173.8	76%	0.762	81%	0.812	S	S	*	*			trans	-82.5	133.5	-174.2	-69	165.6	-31.1	0	0	109.7
334	R	35.9	Very low	40.3	Very low	232 Å²	232	167.9 Å²	167.9	88%	0.875	80%	0.795	S	S	*	*			trans	-138.3	143	150.7	-76.2	-168.1	177.9	179.1	-1.1	108.6	K336	R334-K336 PolarHBondContact O-N 2.85Å
335	P	40.9	Very low	41.2	Very low	126 Å²	126	163.1 Å²	163.1	82%	0.818	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.6	125	-157.1	29.2	-32.2	0	0	0	111
336	K	37.7	Very low	42.1	Very low	201 Å²	201	160.4 Å²	160.4	87%	0.874	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-88	122.7	165.8	-75	-178.9	178.3	-177.6	0	107.5	R334	R334-K336 PolarHBondContact O-N 2.85Å
337	N	35.7	Very low	43.3	Very low	139 Å²	139	153.5 Å²	153.5	74%	0.743	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-47.6	141.1	162.9	-63.4	-14.5	0	0	0	109	L339	N337-L339 VanDerWaalsContact C-N 3.32Å; N337-L339 PolarHBondContact O-N 3.35Å
338	P	38.8	Very low	44.6	Very low	130 Å²	130	152.3 Å²	152.3	84%	0.844	73%	0.734	S	S	*	*			trans	-69.8	91.4	-178.2	27.7	-31.5	0	0	0	109.3	L340	P338-L340 PolarHBondContact O-N 3.37Å
339	L	36.8	Very low	45.8	Very low	162 Å²	162	151 Å²	151	85%	0.848	73%	0.728	S	S	*	*			trans	-69.8	115.7	157.8	-79	162.1	0	0	0	106	N337 Q341	N337-L339 VanDerWaalsContact C-N 3.32Å; N337-L339 PolarHBondContact O-N 3.35Å; L339-Q341 PolarHBondContact O-N 2.84Å
340	L	38.5	Very low	46.6	Very low	143 Å²	143	147.4 Å²	147.4	75%	0.749	71%	0.712	S	S	*	*			trans	-52.6	104.1	170.5	-70.1	166	0	0	0	108.2	P338 F342	P338-L340 PolarHBondContact O-N 3.37Å; L340-F342 HydrophobicContact CB-CD2 4.16Å; L340-F342 HydrophobicContact CB-CE2 3.56Å; L340-F342 HydrophobicContact CB-CZ 4.07Å; L340-F342 HydrophobicContact CD1-CE2 4.26Å; L340-F342 HydrophobicContact CD1-CZ 4.23Å; L340-F342 WeakPolarHBondContact O-CD2 3.4Å; L340-F342 PolarHBondContact O-N 2.85Å
341	Q	43.8	Very low	47.6	Very low	194 Å²	194	143 Å²	143	91%	0.907	70%	0.695	S	S	*	*			trans	-87.7	96.8	179	-169.3	143.7	27.8	0	0	107.7	L339	L339-Q341 PolarHBondContact O-N 2.84Å
342	F	45.2	Very low	48.4	Very low	130 Å²	130	143 Å²	143	57%	0.57	70%	0.695	S	S	*	*			trans	-77.7	146.9	175.1	-68.8	-81.5	0	0	0	110.9	L340 I347	L340-F342 HydrophobicContact CB-CD2 4.16Å; L340-F342 HydrophobicContact CB-CE2 3.56Å; L340-F342 HydrophobicContact CB-CZ 4.07Å; L340-F342 HydrophobicContact CD1-CE2 4.26Å; L340-F342 HydrophobicContact CD1-CZ 4.23Å; L340-F342 WeakPolarHBondContact O-CD2 3.4Å; L340-F342 PolarHBondContact O-N 2.85Å; F342-I347 HydrophobicContact CB-CD1 4.44Å; F342-I347 HydrophobicContact CB-CG1 4.19Å
343	D	62.7	Low	49.4	Very low	109 Å²	109	143.4 Å²	143.4	58%	0.583	69%	0.689	S	S	*	*			trans	-61.6	140	179.9	-147.5	-6.4	0	0	0	111.1	Q345 T346 I347	D343-Q345 PolarHBondContact O-N 3.43Å; D343-Q345 VanDerWaalsContact O-N 3.13Å; D343-T346 WeakPolarHBondContact O-CA 3.42Å; D343-T346 VanDerWaalsContact O-CB 3.27Å; D343-T346 WeakPolarHBondContact O-CB 3.32Å; D343-T346 PolarHBondContact O-N 3.47Å; D343-I347 PolarHBondContact O-N 2.88Å
344	E	65	Low	49.8	Very low	122 Å²	122	141.7 Å²	141.7	57%	0.57	68%	0.681	S	S	*	*	H	α-helix	trans	-61.8	-28.8	-174.8	-170.5	174.7	154.9	0	0	111.5	I347 R348	E344-I347 PolarHBondContact O-N 3.5Å; E344-R348 WeakPolarHBondContact O-CB 3.44Å; E344-R348 VanDerWaalsContact O-CG 3.3Å; E344-R348 WeakPolarHBondContact O-CG 3.26Å; E344-R348 PolarHBondContact O-N 3.13Å; E344-R348 IonicContact OE1-CZ 3.44Å; E344-R348 IonicContact OE1-NE 2.81Å; E344-R348 PolarHBondContact OE1-NE 2.86Å; E344-R348 IonicContact OE1-NH2 2.77Å; E344-R348 PolarHBondContact OE1-NH2 2.98Å
345	Q	60.6	Low	50.4	Low	137 Å²	137	140 Å²	140	64%	0.64	68%	0.675	S	S	*	*	H	α-helix	trans	-68.5	-35	172.8	-60.8	-170.1	0.9	0	0	112.5	D343 R348 K349	D343-Q345 PolarHBondContact O-N 3.43Å; D343-Q345 VanDerWaalsContact O-N 3.13Å; Q345-R348 PolarHBondContact O-N 3.43Å; Q345-K349 WeakPolarHBondContact O-CB 3.46Å; Q345-K349 WeakPolarHBondContact O-CG 3.49Å; Q345-K349 PolarHBondContact O-N 2.83Å
346	T	61.4	Low	50.9	Low	74 Å²	74	141 Å²	141	45%	0.454	67%	0.673	S	S	.	*	H	α-helix	trans	-70.1	-39.9	174.5	-49.8	0	0	0	0	110.5	D343 K349 A350	D343-T346 WeakPolarHBondContact O-CA 3.42Å; D343-T346 VanDerWaalsContact O-CB 3.27Å; D343-T346 WeakPolarHBondContact O-CB 3.32Å; D343-T346 PolarHBondContact O-N 3.47Å; T346-K349 PolarHBondContact O-N 2.91Å; T346-A350 VanDerWaalsContact O-CB 3.23Å; T346-A350 WeakPolarHBondContact O-CB 3.33Å; T346-A350 PolarHBondContact O-N 3.22Å
347	I	62.1	Low	51.7	Low	82 Å²	82	135.9 Å²	135.9	42%	0.421	65%	0.652	S	S	.	*	H	α-helix	trans	-67.1	-38.3	173	-64.4	-172.3	0	0	0	111.6	F342 D343 E344 A350 R351	F342-I347 HydrophobicContact CB-CD1 4.44Å; F342-I347 HydrophobicContact CB-CG1 4.19Å; D343-I347 PolarHBondContact O-N 2.88Å; E344-I347 PolarHBondContact O-N 3.5Å; I347-A350 PolarHBondContact O-N 2.88Å; I347-R351 VanDerWaalsContact O-CB 3.3Å; I347-R351 WeakPolarHBondContact O-CB 3.17Å; I347-R351 WeakPolarHBondContact O-CG 3.27Å; I347-R351 PolarHBondContact O-N 3.3Å
348	R	61.3	Low	52.6	Low	160 Å²	160	132.4 Å²	132.4	60%	0.604	64%	0.637	S	S	*	*	H	α-helix	trans	-69.2	-37.2	175.1	-75.4	179.4	-172.3	-162.3	4.1	112.6	E344 Q345 K352	E344-R348 WeakPolarHBondContact O-CB 3.44Å; E344-R348 VanDerWaalsContact O-CG 3.3Å; E344-R348 WeakPolarHBondContact O-CG 3.26Å; E344-R348 PolarHBondContact O-N 3.13Å; E344-R348 IonicContact OE1-CZ 3.44Å; E344-R348 IonicContact OE1-NE 2.81Å; E344-R348 PolarHBondContact OE1-NE 2.86Å; E344-R348 IonicContact OE1-NH2 2.77Å; E344-R348 PolarHBondContact OE1-NH2 2.98Å; Q345-R348 PolarHBondContact O-N 3.43Å; R348-K352 WeakPolarHBondContact O-CB 3.25Å; R348-K352 PolarHBondContact O-N 3.02Å
349	K	56.3	Low	54.2	Low	148 Å²	148	135 Å²	135	64%	0.643	63%	0.63	S	S	*	*	H	α-helix	trans	-69.8	-39.6	173.1	-78.8	177.4	178.8	175.5	0	111.9	Q345 T346 K352 K353	Q345-K349 WeakPolarHBondContact O-CB 3.46Å; Q345-K349 WeakPolarHBondContact O-CG 3.49Å; Q345-K349 PolarHBondContact O-N 2.83Å; T346-K349 PolarHBondContact O-N 2.91Å; K349-K352 PolarHBondContact O-N 2.88Å; K349-K353 PolarHBondContact O-N 3.02Å
350	A	54.1	Low	56.4	Low	56 Å²	56	131.6 Å²	131.6	46%	0.463	61%	0.613	S	S	.	*	H	α-helix	trans	-64.3	-43.9	172.4	0	0	0	0	0	111.5	T346 I347 K353 Q354	T346-A350 VanDerWaalsContact O-CB 3.23Å; T346-A350 WeakPolarHBondContact O-CB 3.33Å; T346-A350 PolarHBondContact O-N 3.22Å; I347-A350 PolarHBondContact O-N 2.88Å; A350-K353 PolarHBondContact O-N 2.89Å; A350-Q354 WeakPolarHBondContact O-CB 3.32Å; A350-Q354 PolarHBondContact O-N 3.28Å
351	R	54.9	Low	58.9	Low	157 Å²	157	125.1 Å²	125.1	59%	0.592	58%	0.579	S	S	*	*	H	α-helix	trans	-57.7	-49.1	170.6	-86.1	-179.6	167.1	176.7	-3.4	111.1	I347 K353 Q354 W355	I347-R351 VanDerWaalsContact O-CB 3.3Å; I347-R351 WeakPolarHBondContact O-CB 3.17Å; I347-R351 WeakPolarHBondContact O-CG 3.27Å; I347-R351 PolarHBondContact O-N 3.3Å; R351-K353 VanDerWaalsContact C-N 3.27Å; R351-K353 PolarHBondContact O-N 3.37Å; R351-Q354 CarbonylContact O-C 3.57Å; R351-Q354 WeakPolarHBondContact O-CA 2.94Å; R351-Q354 WeakPolarHBondContact O-CB 3.37Å; R351-Q354 PolarHBondContact O-N 3.02Å; R351-W355 VanDerWaalsContact C-CD1 3.43Å; R351-W355 PolarHBondContact O-N 3.36Å
352	K	54.3	Low	61.2	Low	165 Å²	165	117.3 Å²	117.3	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-58.6	-33.9	177.1	-97.1	-174.6	173.9	-176	0	113.6	R348 K349	R348-K352 WeakPolarHBondContact O-CB 3.25Å; R348-K352 PolarHBondContact O-N 3.02Å; K349-K352 PolarHBondContact O-N 2.88Å
353	K	52.8	Low	63.5	Low	181 Å²	181	116.3 Å²	116.3	79%	0.787	54%	0.54	S	S	*	.	H	α-helix	trans	-74.7	-33.3	172.5	-72.1	-172.9	176.1	-171.2	0	112.6	K349 A350 R351 W355	K349-K353 PolarHBondContact O-N 3.02Å; A350-K353 PolarHBondContact O-N 2.89Å; R351-K353 VanDerWaalsContact C-N 3.27Å; R351-K353 PolarHBondContact O-N 3.37Å; K353-W355 VanDerWaalsContact C-N 3.28Å; K353-W355 PolarHBondContact O-N 3.49Å
354	Q	47.9	Very low	64.9	Low	127 Å²	127	112.8 Å²	112.8	59%	0.593	52%	0.519	S	S	*	.	H	α-helix	trans	-68.6	-24.4	171.6	-171.4	179.2	-19.3	0	0	112.6	A350 R351 N356 E357 P358	A350-Q354 WeakPolarHBondContact O-CB 3.32Å; A350-Q354 PolarHBondContact O-N 3.28Å; R351-Q354 CarbonylContact O-C 3.57Å; R351-Q354 WeakPolarHBondContact O-CA 2.94Å; R351-Q354 WeakPolarHBondContact O-CB 3.37Å; R351-Q354 PolarHBondContact O-N 3.02Å; Q354-N356 VanDerWaalsContact C-N 3.29Å; Q354-N356 PolarHBondContact O-N 2.77Å; Q354-E357 CarbonylContact O-C 3.55Å; Q354-P358 VanDerWaalsContact O-CD 3.27Å; Q354-P358 WeakPolarHBondContact O-CD 3.29Å
355	W	48.2	Very low	66.3	Low	198 Å²	198	113.7 Å²	113.7	75%	0.75	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6	178.2	-79.3	108.3	0	0	0	115.2	R351 K353	R351-W355 VanDerWaalsContact C-CD1 3.43Å; R351-W355 PolarHBondContact O-N 3.36Å; K353-W355 VanDerWaalsContact C-N 3.28Å; K353-W355 PolarHBondContact O-N 3.49Å
356	N	50.5	Low	67.8	Low	145 Å²	145	110.7 Å²	110.7	78%	0.775	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.9	175.3	-80.9	7.5	0	0	0	114.2	Q354	Q354-N356 VanDerWaalsContact C-N 3.29Å; Q354-N356 PolarHBondContact O-N 2.77Å
357	E	55.3	Low	69.3	Low	95 Å²	95	112.5 Å²	112.5	44%	0.444	51%	0.508	S	S	.	.	S	Bend	trans	-158.2	101.5	159.4	-155.9	99.7	-124.2	0	0	110	Q354 R364	Q354-E357 CarbonylContact O-C 3.55Å; E357-R364 IonicContact OE1-CZ 2.77Å; E357-R364 IonicContact OE1-NE 2.77Å; E357-R364 IonicContact OE1-NH1 3.36Å; E357-R364 PolarHBondContact OE1-NH1 2.77Å; E357-R364 IonicContact OE1-NH2 3.97Å; E357-R364 PolarHBondContact OE1-NH2 2.77Å
358	P	54.2	Low	70.7	Confident	65 Å²	65	110.1 Å²	110.1	42%	0.422	50%	0.497	S	S	.	.				-151.7	89.1	127.1	32.4	-9.2	0	0	0	110.2	Q354	Q354-P358 VanDerWaalsContact O-CD 3.27Å; Q354-P358 WeakPolarHBondContact O-CD 3.29Å
359	R	71.4	Confident	72.1	Confident	186 Å²	186	105.2 Å²	105.2	70%	0.702	48%	0.483	S	S	*	.			trans	-79.1	139.3	145.5	-58.1	-179.4	175.3	171.1	-1.2	104.6	G392	R359-G392 VanDerWaalsContact O-CA 3.29Å; R359-G392 WeakPolarHBondContact O-CA 3.23Å
360	N	84.1	Confident	73.7	Confident	90 Å²	90	98.3 Å²	98.3	48%	0.481	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-40.2	154.6	167.9	-66.3	-21.8	0	0	0	110.4	A362 L402	N360-A362 WeakPolarHBondContact O-CB 3.46Å; N360-A362 PolarHBondContact O-N 2.98Å; N360-L402 HydrophobicContact CB-CD1 4.31Å
361	C	91.4	Very high	75.3	Confident	6 Å²	6	98 Å²	98	4%	0.041	45%	0.45	C	S	.	.	S	Bend	trans	-36.6	112.1	178.9	173.8	0	0	0	0	112.2	S393 L402 C428	C361-S393 PolarHBondContact N-O 2.95Å; C361-S393 VanDerWaalsContact N-O 3.15Å; C361-L402 HydrophobicContact CB-CD1 4.35Å; C361-L402 HydrophobicContact CB-CD2 4.07Å; C361-L402 WeakPolarHBondContact O-CD2 3.45Å; C361-C428 WeakPolarHBondContact CA-SG 3.46Å; C361-C428 HydrophobicContact CB-CB 3.71Å; C361-C428 WeakPolarHBondContact CB-SG 3.06Å; C361-C428 WeakPolarHBondContact SG-CA 3.5Å; C361-C428 WeakPolarHBondContact SG-CB 3.39Å; C361-C428 CovalentContact SG-SG 2.03Å; C361-C428 PolarHBondContact SG-SG 2.98Å
362	A	91.2	Very high	76.7	Confident	31 Å²	31	97.1 Å²	97.1	26%	0.256	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.7	-171.2	0	0	0	0	0	111.1	N360 S391	N360-A362 WeakPolarHBondContact O-CB 3.46Å; N360-A362 PolarHBondContact O-N 2.98Å; A362-S391 PolarHBondContact N-O 3.35Å; A362-S391 PolarHBondContact O-N 3.03Å; A362-S391 VanDerWaalsContact O-N 3.16Å; A362-S391 VanDerWaalsContact O-O 3.09Å
363	R	93.6	Very high	78.1	Confident	108 Å²	108	92.9 Å²	92.9	41%	0.408	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129	172.4	-173.7	-176.8	72.2	152.1	4.2	110.1	F388 V457 C460	R363-F388 HydrophobicContact CG-CB 3.73Å; R363-F388 HydrophobicContact CG-CD1 3.9Å; R363-F388 HydrophobicContact CG-CG 4.07Å; R363-V457 WeakPolarHBondContact CD-O 3.39Å; R363-V457 HydrophobicContact CG-CG1 4.22Å; R363-V457 PolarHBondContact NH1-O 3.12Å; R363-C460 VanDerWaalsContact CA-SG 3.52Å; R363-C460 PolarHBondContact N-SG 2.89Å; R363-C460 VanDerWaalsContact N-SG 3.42Å
364	R	92.1	Very high	79.5	Confident	35 Å²	35	85.8 Å²	85.8	13%	0.132	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.1	178.2	-56	-46.1	-175.8	104.4	17.1	110.7	E357 F388 Y389 S391	E357-R364 IonicContact OE1-CZ 2.77Å; E357-R364 IonicContact OE1-NE 2.77Å; E357-R364 IonicContact OE1-NH1 3.36Å; E357-R364 PolarHBondContact OE1-NH1 2.77Å; E357-R364 IonicContact OE1-NH2 3.97Å; E357-R364 PolarHBondContact OE1-NH2 2.77Å; R364-F388 CarbonylContact O-C 3.23Å; R364-F388 WeakPolarHBondContact O-CA 3.3Å; R364-F388 VanDerWaalsContact O-CB 3.23Å; R364-F388 WeakPolarHBondContact O-CB 3.48Å; R364-F388 WeakPolarHBondContact O-CD1 3.17Å; R364-Y389 HydrophobicContact CB-CD1 3.85Å; R364-Y389 HydrophobicContact CB-CE1 3.45Å; R364-Y389 VanDerWaalsContact CB-CE1 3.45Å; R364-Y389 HydrophobicContact CB-CE2 4.2Å; R364-Y389 HydrophobicContact CB-CG 4.4Å; R364-Y389 HydrophobicContact CG-CE1 4.43Å; R364-Y389 HydrophobicContact CG-CE2 4.37Å; R364-Y389 PolarHBondContact N-O 3.25Å; R364-Y389 PolarHBondContact O-N 2.93Å; R364-S391 VanDerWaalsContact CG-OG 3.24Å; R364-S391 WeakPolarHBondContact CG-OG 3.24Å
365	Y	93.6	Very high	81.4	Confident	141 Å²	141	81.4 Å²	81.4	55%	0.553	40%	0.398	S	S	*	.			trans	-70.4	129.8	178.9	-175.4	-106.2	0	0	0	110.2	K367 D386 F388	Y365-K367 HydrophobicContact CE1-CB 4.12Å; Y365-D386 HydrophobicContact CE2-CB 4.02Å; Y365-D386 WeakPolarHBondContact CE2-OD1 3.49Å; Y365-D386 VanDerWaalsContact CZ-OD1 3.3Å; Y365-D386 PolarHBondContact OH-OD1 2.84Å; Y365-F388 HydrophobicContact CD2-CD1 4.22Å; Y365-F388 AromaticContact CD2-CE1 3.62Å; Y365-F388 HydrophobicContact CD2-CE1 3.62Å; Y365-F388 AromaticContact CD2-CZ 3.97Å; Y365-F388 HydrophobicContact CD2-CZ 3.97Å; Y365-F388 HydrophobicContact CE2-CE1 4.45Å; Y365-F388 HydrophobicContact CE2-CZ 4.36Å
366	L	92.1	Very high	83.1	Confident	75 Å²	75	75.2 Å²	75.2	39%	0.393	39%	0.385	S	S	.	.			trans	-145.4	121.8	171.4	169.6	68.7	0	0	0	106.5	V368 D386 A387 F388 Y389	L366-V368 HydrophobicContact CD2-CG2 4.28Å; L366-V368 HydrophobicContact CG-CG2 4.17Å; L366-D386 CarbonylContact O-C 3.57Å; L366-A387 PolarHBondContact O-N 3.47Å; L366-F388 PolarHBondContact O-N 3.14Å; L366-Y389 HydrophobicContact CB-CD1 3.64Å; L366-Y389 HydrophobicContact CB-CE1 4.15Å; L366-Y389 HydrophobicContact CD2-CD1 4.24Å
367	K	93.3	Very high	84.8	Confident	111 Å²	111	75.9 Å²	75.9	48%	0.483	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	172	-173.1	177.4	177.8	-175.6	0	108	Y365 S384	Y365-K367 HydrophobicContact CE1-CB 4.12Å; K367-S384 VanDerWaalsContact CE-CB 3.45Å; K367-S384 WeakPolarHBondContact CE-OG 3.41Å; K367-S384 PolarHBondContact NZ-OG 2.77Å
368	V	91.6	Very high	86.3	Confident	33 Å²	33	72.1 Å²	72.1	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121	176.4	178.7	0	0	0	0	107.5	L366 I373 S384 F385 A387	L366-V368 HydrophobicContact CD2-CG2 4.28Å; L366-V368 HydrophobicContact CG-CG2 4.17Å; V368-I373 HydrophobicContact CG1-CD1 4.29Å; V368-S384 CarbonylContact O-C 3.54Å; V368-S384 WeakPolarHBondContact O-CA 3.19Å; V368-S384 WeakPolarHBondContact O-CB 3.11Å; V368-F385 HydrophobicContact CB-CD1 4.26Å; V368-F385 HydrophobicContact CB-CE1 3.81Å; V368-F385 HydrophobicContact CB-CZ 4.23Å; V368-F385 HydrophobicContact CG1-CE1 4Å; V368-F385 PolarHBondContact N-O 3.43Å; V368-F385 PolarHBondContact O-N 2.86Å; V368-A387 HydrophobicContact CG2-CB 3.73Å
369	D	91.2	Very high	88	Confident	56 Å²	56	69.8 Å²	69.8	30%	0.299	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132	168.3	-159	-46.9	0	0	0	108.9	A371 D372 K383	D369-A371 PolarHBondContact O-N 2.86Å; D369-A371 WeakPolarHBondContact OD1-CB 3.34Å; D369-A371 PolarHBondContact OD1-N 3.42Å; D369-D372 HydrophobicContact CB-CB 4.43Å; D369-D372 PolarHBondContact O-N 2.87Å; D369-K383 VanDerWaalsContact OD1-O 3.12Å
370	F	89.6	Confident	88.9	Confident	3 Å²	3	63 Å²	63	1%	0.013	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.5	178.1	-69	-63.3	0	0	0	112.1	I373 G374 W375 S376 I379 P382 K383 F385 L436 I438	F370-I373 HydrophobicContact CD1-CD1 3.95Å; F370-I373 WeakPolarHBondContact O-CG1 2.9Å; F370-G374 PolarHBondContact O-N 3.49Å; F370-W375 HydrophobicContact CB-CB 4.29Å; F370-W375 HydrophobicContact CD1-CB 4.45Å; F370-W375 AromaticContact CD1-CE3 3.9Å; F370-W375 HydrophobicContact CD1-CE3 3.9Å; F370-W375 HydrophobicContact CE1-CE3 4.13Å; F370-W375 HydrophobicContact CE1-CZ3 4.48Å; F370-W375 PolarHBondContact O-N 2.88Å; F370-S376 PolarHBondContact O-N 3.27Å; F370-I379 HydrophobicContact CB-CD1 4Å; F370-I379 HydrophobicContact CD1-CD1 3.35Å; F370-I379 HydrophobicContact CD2-CD1 3.98Å; F370-I379 HydrophobicContact CD2-CG2 4.04Å; F370-I379 HydrophobicContact CE1-CD1 3.72Å; F370-I379 HydrophobicContact CE2-CD1 4.28Å; F370-I379 HydrophobicContact CE2-CG2 4.37Å; F370-I379 HydrophobicContact CG-CD1 3.51Å; F370-I379 HydrophobicContact CG-CG2 4.46Å; F370-I379 HydrophobicContact CZ-CD1 4.17Å; F370-P382 WeakPolarHBondContact CD2-O 3.23Å; F370-P382 HydrophobicContact CE2-CG 4.14Å; F370-P382 VanDerWaalsContact CE2-O 3.26Å; F370-P382 WeakPolarHBondContact CE2-O 3.37Å; F370-K383 VanDerWaalsContact CD2-O 3.3Å; F370-K383 WeakPolarHBondContact CD2-O 3.42Å; F370-K383 PolarHBondContact N-O 3.36Å; F370-F385 HydrophobicContact CE1-CD1 4.07Å; F370-F385 AromaticContact CE1-CE1 3.81Å; F370-F385 HydrophobicContact CE1-CE1 3.81Å; F370-F385 AromaticContact CE2-CD1 3.96Å; F370-F385 HydrophobicContact CE2-CD1 3.96Å; F370-F385 AromaticContact CZ-CD1 3.5Å; F370-F385 HydrophobicContact CZ-CD1 3.5Å; F370-F385 VanDerWaalsContact CZ-CD1 3.5Å; F370-F385 AromaticContact CZ-CE1 3.68Å; F370-F385 HydrophobicContact CZ-CE1 3.68Å; F370-L436 HydrophobicContact CZ-CD2 4.17Å; F370-I438 HydrophobicContact CZ-CD1 4.09Å
371	A	87.3	Confident	89.4	Confident	49 Å²	49	60.3 Å²	60.3	41%	0.405	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-39.8	173.5	0	0	0	0	0	112.2	D369 I373 G374	D369-A371 PolarHBondContact O-N 2.86Å; D369-A371 WeakPolarHBondContact OD1-CB 3.34Å; D369-A371 PolarHBondContact OD1-N 3.42Å; A371-I373 PolarHBondContact O-N 3.46Å; A371-G374 PolarHBondContact O-N 3.28Å; A371-G374 VanDerWaalsContact O-N 3.09Å
372	D	85.1	Confident	89.5	Confident	139 Å²	139	61 Å²	61	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24	-177.3	-67.4	-18.7	0	0	0	112.7	D369	D369-D372 HydrophobicContact CB-CB 4.43Å; D369-D372 PolarHBondContact O-N 2.87Å
373	I	82.9	Confident	89.6	Confident	76 Å²	76	67.7 Å²	67.7	39%	0.39	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	5.7	176.4	64.2	176	0	0	0	113.5	V368 F370 A371 W375	V368-I373 HydrophobicContact CG1-CD1 4.29Å; F370-I373 HydrophobicContact CD1-CD1 3.95Å; F370-I373 WeakPolarHBondContact O-CG1 2.9Å; A371-I373 PolarHBondContact O-N 3.46Å; I373-W375 HydrophobicContact CD1-CD2 3.58Å; I373-W375 HydrophobicContact CD1-CE3 3.43Å; I373-W375 VanDerWaalsContact CD1-CE3 3.43Å; I373-W375 HydrophobicContact CD1-CG 4.11Å; I373-W375 HydrophobicContact CD1-CH2 4.24Å; I373-W375 HydrophobicContact CD1-CZ2 4.4Å; I373-W375 HydrophobicContact CD1-CZ3 3.75Å; I373-W375 HydrophobicContact CG1-CB 4.22Å; I373-W375 HydrophobicContact CG1-CD2 3.96Å; I373-W375 HydrophobicContact CG1-CE3 4.26Å; I373-W375 HydrophobicContact CG1-CG 3.94Å
374	G	83.3	Confident	89.5	Confident	33 Å²	33	64 Å²	64	34%	0.34	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	22.9	176	0	0	0	0	0	115	F370 A371	F370-G374 PolarHBondContact O-N 3.49Å; A371-G374 PolarHBondContact O-N 3.28Å; A371-G374 VanDerWaalsContact O-N 3.09Å
375	W	86.8	Confident	89.6	Confident	34 Å²	34	63.4 Å²	63.4	13%	0.129	33%	0.332	C	S	.	.			trans	-105.4	3.7	-177.7	-65.2	-0.1	0	0	0	113.7	L246 F370 I373 E377 W378 I379	L246-W375 HydrophobicContact CB-CE3 4.47Å; L246-W375 HydrophobicContact CB-CH2 3.91Å; L246-W375 HydrophobicContact CB-CZ2 4.24Å; L246-W375 HydrophobicContact CB-CZ3 4.05Å; L246-W375 HydrophobicContact CD1-CE3 4.35Å; L246-W375 HydrophobicContact CD1-CH2 3.76Å; L246-W375 HydrophobicContact CD1-CZ3 3.48Å; L246-W375 VanDerWaalsContact CD1-CZ3 3.48Å; L246-W375 HydrophobicContact CG-CH2 4.47Å; L246-W375 HydrophobicContact CG-CZ3 4.28Å; F370-W375 HydrophobicContact CB-CB 4.29Å; F370-W375 HydrophobicContact CD1-CB 4.45Å; F370-W375 AromaticContact CD1-CE3 3.9Å; F370-W375 HydrophobicContact CD1-CE3 3.9Å; F370-W375 HydrophobicContact CE1-CE3 4.13Å; F370-W375 HydrophobicContact CE1-CZ3 4.48Å; F370-W375 PolarHBondContact O-N 2.88Å; I373-W375 HydrophobicContact CD1-CD2 3.58Å; I373-W375 HydrophobicContact CD1-CE3 3.43Å; I373-W375 VanDerWaalsContact CD1-CE3 3.43Å; I373-W375 HydrophobicContact CD1-CG 4.11Å; I373-W375 HydrophobicContact CD1-CH2 4.24Å; I373-W375 HydrophobicContact CD1-CZ2 4.4Å; I373-W375 HydrophobicContact CD1-CZ3 3.75Å; I373-W375 HydrophobicContact CG1-CB 4.22Å; I373-W375 HydrophobicContact CG1-CD2 3.96Å; I373-W375 HydrophobicContact CG1-CE3 4.26Å; I373-W375 HydrophobicContact CG1-CG 3.94Å; W375-E377 VanDerWaalsContact C-N 3.25Å; W375-E377 PolarHBondContact O-N 2.8Å; W375-W378 HydrophobicContact CB-CH2 4.41Å; W375-W378 HydrophobicContact CB-CZ2 3.55Å; W375-W378 AromaticContact CD1-CZ2 3.98Å; W375-W378 HydrophobicContact CD2-CH2 4.25Å; W375-W378 AromaticContact CD2-CZ2 3.62Å; W375-W378 HydrophobicContact CD2-CZ2 3.62Å; W375-W378 HydrophobicContact CE3-CH2 4.15Å; W375-W378 AromaticContact CE3-CZ2 3.98Å; W375-W378 HydrophobicContact CE3-CZ2 3.98Å; W375-W378 HydrophobicContact CG-CH2 4.39Å; W375-W378 AromaticContact CG-CZ2 3.43Å; W375-W378 HydrophobicContact CG-CZ2 3.43Å; W375-W378 VanDerWaalsContact CG-CZ2 3.43Å; W375-I379 HydrophobicContact CB-CD1 3.74Å; W375-I379 HydrophobicContact CB-CG1 4.37Å; W375-I379 HydrophobicContact CE3-CD1 4.1Å; W375-I379 WeakPolarHBondContact O-CB 3.47Å; W375-I379 WeakPolarHBondContact O-CG1 3.42Å; W375-I379 PolarHBondContact O-N 3.32Å; W375-I379 VanDerWaalsContact O-N 3.16Å
376	S	84.3	Confident	89.7	Confident	69 Å²	69	59.9 Å²	59.9	48%	0.483	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21	-178.7	51.3	0	0	0	0	114.5	F370	F370-S376 PolarHBondContact O-N 3.27Å
377	E	86.1	Confident	89.7	Confident	159 Å²	159	56.8 Å²	56.8	74%	0.743	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.5	-176.8	-64.9	-170.7	165.5	0	0	113.5	W375	W375-E377 VanDerWaalsContact C-N 3.25Å; W375-E377 PolarHBondContact O-N 2.8Å
378	W	86.8	Confident	89.8	Confident	15 Å²	15	53.2 Å²	53.2	6%	0.057	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-23.6	-175.7	55.5	-89	0	0	0	112.8	L246 H249 W375 I380 F440 F441	L246-W378 HydrophobicContact CB-CH2 3.79Å; L246-W378 HydrophobicContact CB-CZ2 4.26Å; L246-W378 HydrophobicContact CD2-CH2 3.37Å; L246-W378 HydrophobicContact CD2-CZ3 3.73Å; L246-W378 HydrophobicContact CG-CH2 4.13Å; H249-W378 HydrophobicContact CB-CD2 4.14Å; H249-W378 HydrophobicContact CB-CE3 4.38Å; H249-W378 HydrophobicContact CB-CG 4.32Å; W375-W378 HydrophobicContact CB-CH2 4.41Å; W375-W378 HydrophobicContact CB-CZ2 3.55Å; W375-W378 AromaticContact CD1-CZ2 3.98Å; W375-W378 HydrophobicContact CD2-CH2 4.25Å; W375-W378 AromaticContact CD2-CZ2 3.62Å; W375-W378 HydrophobicContact CD2-CZ2 3.62Å; W375-W378 HydrophobicContact CE3-CH2 4.15Å; W375-W378 AromaticContact CE3-CZ2 3.98Å; W375-W378 HydrophobicContact CE3-CZ2 3.98Å; W375-W378 HydrophobicContact CG-CH2 4.39Å; W375-W378 AromaticContact CG-CZ2 3.43Å; W375-W378 HydrophobicContact CG-CZ2 3.43Å; W375-W378 VanDerWaalsContact CG-CZ2 3.43Å; W378-I380 PolarHBondContact O-N 2.03Å; W378-F440 HydrophobicContact CE3-CB 3.64Å; W378-F440 AromaticContact CE3-CD2 3.67Å; W378-F440 HydrophobicContact CE3-CD2 3.67Å; W378-F440 AromaticContact CE3-CG 3.85Å; W378-F440 HydrophobicContact CE3-CG 3.85Å; W378-F440 HydrophobicContact CZ3-CB 3.88Å; W378-F440 HydrophobicContact CZ3-CD1 4.45Å; W378-F440 AromaticContact CZ3-CD2 3.86Å; W378-F440 HydrophobicContact CZ3-CD2 3.86Å; W378-F440 AromaticContact CZ3-CG 3.82Å; W378-F440 HydrophobicContact CZ3-CG 3.82Å; W378-F440 CarbonylContact O-C 3.57Å; W378-F440 VanDerWaalsContact O-CA 3.23Å; W378-F440 WeakPolarHBondContact O-CA 3.47Å; W378-F440 VanDerWaalsContact O-CB 3.31Å; W378-F440 WeakPolarHBondContact O-CB 3.15Å; W378-F441 PolarHBondContact O-N 3.16Å
379	I	90.1	Very high	90	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.082	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124	172.8	-63.7	178.1	0	0	0	110.3	F370 W375 P382 I438 F440	F370-I379 HydrophobicContact CB-CD1 4Å; F370-I379 HydrophobicContact CD1-CD1 3.35Å; F370-I379 HydrophobicContact CD2-CD1 3.98Å; F370-I379 HydrophobicContact CD2-CG2 4.04Å; F370-I379 HydrophobicContact CE1-CD1 3.72Å; F370-I379 HydrophobicContact CE2-CD1 4.28Å; F370-I379 HydrophobicContact CE2-CG2 4.37Å; F370-I379 HydrophobicContact CG-CD1 3.51Å; F370-I379 HydrophobicContact CG-CG2 4.46Å; F370-I379 HydrophobicContact CZ-CD1 4.17Å; W375-I379 HydrophobicContact CB-CD1 3.74Å; W375-I379 HydrophobicContact CB-CG1 4.37Å; W375-I379 HydrophobicContact CE3-CD1 4.1Å; W375-I379 WeakPolarHBondContact O-CB 3.47Å; W375-I379 WeakPolarHBondContact O-CG1 3.42Å; W375-I379 PolarHBondContact O-N 3.32Å; W375-I379 VanDerWaalsContact O-N 3.16Å; I379-P382 WeakPolarHBondContact CG2-O 3.38Å; I379-I438 HydrophobicContact CD1-CG2 4.35Å; I379-I438 HydrophobicContact CG1-CG2 4.25Å; I379-I438 HydrophobicContact CG2-CG2 4.02Å; I379-F440 HydrophobicContact CG1-CB 4.34Å
380	I	91.4	Very high	90.1	Very high	44 Å²	44	54.6 Å²	54.6	23%	0.226	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-46.9	176.7	-57.4	166.3	0	0	0	109.9	W378 L439 F441 V447	W378-I380 PolarHBondContact O-N 2.03Å; I380-L439 WeakPolarHBondContact CA-O 3.26Å; I380-L439 HydrophobicContact CB-CD2 4.29Å; I380-L439 HydrophobicContact CB-CG 4.28Å; I380-L439 WeakPolarHBondContact CB-O 3.31Å; I380-L439 HydrophobicContact CD1-CG 4.27Å; I380-L439 HydrophobicContact CG2-CD2 4.06Å; I380-L439 PolarHBondContact N-O 3.44Å; I380-F441 HydrophobicContact CD1-CD1 4.11Å; I380-F441 HydrophobicContact CD1-CD2 3.76Å; I380-F441 HydrophobicContact CD1-CE1 3.88Å; I380-F441 HydrophobicContact CD1-CE2 3.5Å; I380-F441 HydrophobicContact CD1-CG 4.05Å; I380-F441 HydrophobicContact CD1-CZ 3.57Å; I380-F441 HydrophobicContact CG1-CD2 3.66Å; I380-F441 HydrophobicContact CG1-CE2 3.46Å; I380-F441 VanDerWaalsContact CG1-CE2 3.46Å; I380-F441 HydrophobicContact CG1-CG 4.39Å; I380-F441 HydrophobicContact CG1-CZ 4.03Å; I380-V447 HydrophobicContact CD1-CG1 4Å; I380-V447 HydrophobicContact CD1-CG2 4.17Å
381	S	92.9	Very high	90.3	Very high	34 Å²	34	55.6 Å²	55.6	24%	0.238	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	142.3	-177.3	-167.7	0	0	0	0	112.3	Y69 L439	Y69-S381 WeakPolarHBondContact CE1-OG 3.27Å; Y69-S381 VanDerWaalsContact CZ-OG 3.25Å; Y69-S381 PolarHBondContact OH-OG 2.04Å; S381-L439 PolarHBondContact N-O 3.12Å; S381-L439 PolarHBondContact O-N 3Å
382	P	94.5	Very high	90.4	Very high	20 Å²	20	54.7 Å²	54.7	13%	0.13	30%	0.296	C	S	.	.			cis	-77.3	167.1	-4.3	30	-26.4	0	0	0	111.3	Y69 F370 I379 L436	Y69-P382 WeakPolarHBondContact OH-CB 3.38Å; Y69-P382 VanDerWaalsContact OH-CD 3.27Å; Y69-P382 WeakPolarHBondContact OH-CD 3.38Å; F370-P382 WeakPolarHBondContact CD2-O 3.23Å; F370-P382 HydrophobicContact CE2-CG 4.14Å; F370-P382 VanDerWaalsContact CE2-O 3.26Å; F370-P382 WeakPolarHBondContact CE2-O 3.37Å; I379-P382 WeakPolarHBondContact CG2-O 3.38Å; P382-L436 HydrophobicContact CG-CD1 4.38Å
383	K	92.3	Very high	90.7	Very high	171 Å²	171	49 Å²	49	74%	0.743	27%	0.268	S	S	*	.	S	Bend	trans	-78.5	-30.6	174.3	-64.2	-174.5	178.4	-175.4	0	112.9	D369 F370	D369-K383 VanDerWaalsContact OD1-O 3.12Å; F370-K383 VanDerWaalsContact CD2-O 3.3Å; F370-K383 WeakPolarHBondContact CD2-O 3.42Å; F370-K383 PolarHBondContact N-O 3.36Å
384	S	93.2	Very high	91	Very high	32 Å²	32	45.5 Å²	45.5	22%	0.224	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154	179.9	65.3	0	0	0	0	109.6	K367 V368	K367-S384 VanDerWaalsContact CE-CB 3.45Å; K367-S384 WeakPolarHBondContact CE-OG 3.41Å; K367-S384 PolarHBondContact NZ-OG 2.77Å; V368-S384 CarbonylContact O-C 3.54Å; V368-S384 WeakPolarHBondContact O-CA 3.19Å; V368-S384 WeakPolarHBondContact O-CB 3.11Å
385	F	93.6	Very high	91.2	Very high	22 Å²	22	49.2 Å²	49.2	10%	0.096	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.7	173.1	75.2	-76.3	0	0	0	111.5	V368 F370 A387 L436 M455	V368-F385 HydrophobicContact CB-CD1 4.26Å; V368-F385 HydrophobicContact CB-CE1 3.81Å; V368-F385 HydrophobicContact CB-CZ 4.23Å; V368-F385 HydrophobicContact CG1-CE1 4Å; V368-F385 PolarHBondContact N-O 3.43Å; V368-F385 PolarHBondContact O-N 2.86Å; F370-F385 HydrophobicContact CE1-CD1 4.07Å; F370-F385 AromaticContact CE1-CE1 3.81Å; F370-F385 HydrophobicContact CE1-CE1 3.81Å; F370-F385 AromaticContact CE2-CD1 3.96Å; F370-F385 HydrophobicContact CE2-CD1 3.96Å; F370-F385 AromaticContact CZ-CD1 3.5Å; F370-F385 HydrophobicContact CZ-CD1 3.5Å; F370-F385 VanDerWaalsContact CZ-CD1 3.5Å; F370-F385 AromaticContact CZ-CE1 3.68Å; F370-F385 HydrophobicContact CZ-CE1 3.68Å; F385-A387 HydrophobicContact CD2-CB 4.15Å; F385-A387 HydrophobicContact CE2-CB 3.47Å; F385-A387 VanDerWaalsContact CE2-CB 3.47Å; F385-A387 HydrophobicContact CZ-CB 3.9Å; F385-A387 PolarHBondContact O-N 3.05Å; F385-L436 HydrophobicContact CB-CD1 4.13Å; F385-L436 HydrophobicContact CB-CD2 3.97Å; F385-L436 HydrophobicContact CD1-CD2 3.74Å; F385-L436 HydrophobicContact CD2-CD2 3.73Å; F385-L436 HydrophobicContact CE1-CD2 4.13Å; F385-L436 HydrophobicContact CE2-CD2 4.09Å; F385-L436 HydrophobicContact CG-CD1 4.49Å; F385-L436 HydrophobicContact CG-CD2 3.53Å; F385-L436 HydrophobicContact CZ-CD2 4.29Å; F385-M455 HydrophobicContact CE1-CE 4.33Å; F385-M455 HydrophobicContact CE2-CB 4.42Å; F385-M455 HydrophobicContact CE2-CE 4.32Å; F385-M455 HydrophobicContact CZ-CE 3.78Å
386	D	94.3	Very high	91.1	Very high	66 Å²	66	52.9 Å²	52.9	35%	0.353	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	95.3	176.3	-60.2	-36.3	0	0	0	108.9	Y365 L366 F388 T456	Y365-D386 HydrophobicContact CE2-CB 4.02Å; Y365-D386 WeakPolarHBondContact CE2-OD1 3.49Å; Y365-D386 VanDerWaalsContact CZ-OD1 3.3Å; Y365-D386 PolarHBondContact OH-OD1 2.84Å; L366-D386 CarbonylContact O-C 3.57Å; D386-F388 HydrophobicContact CB-CD2 4.13Å; D386-F388 HydrophobicContact CB-CE2 3.51Å; D386-F388 HydrophobicContact CB-CZ 4.02Å; D386-F388 VanDerWaalsContact O-CD2 3.25Å; D386-F388 WeakPolarHBondContact O-CD2 3.36Å; D386-F388 WeakPolarHBondContact O-CE2 3.25Å; D386-T456 VanDerWaalsContact O-CG2 3.27Å; D386-T456 WeakPolarHBondContact O-CG2 2.78Å; D386-T456 PolarHBondContact O-OG1 3.42Å
387	A	93.3	Very high	91.1	Very high	11 Å²	11	54.6 Å²	54.6	9%	0.091	29%	0.285	C	S	.	.			trans	-73.3	-37	-179.4	0	0	0	0	0	112.3	L366 V368 F385 T456 V457	L366-A387 PolarHBondContact O-N 3.47Å; V368-A387 HydrophobicContact CG2-CB 3.73Å; F385-A387 HydrophobicContact CD2-CB 4.15Å; F385-A387 HydrophobicContact CE2-CB 3.47Å; F385-A387 VanDerWaalsContact CE2-CB 3.47Å; F385-A387 HydrophobicContact CZ-CB 3.9Å; F385-A387 PolarHBondContact O-N 3.05Å; A387-T456 WeakPolarHBondContact O-CA 3.48Å; A387-V457 PolarHBondContact O-N 2.88Å
388	F	95.5	Very high	90.9	Very high	36 Å²	36	48.4 Å²	48.4	16%	0.158	26%	0.256	C	S	.	.			trans	57.7	168.8	-166.9	-56.2	-97.6	0	0	0	113.1	R363 R364 Y365 L366 D386 T456 V457	R363-F388 HydrophobicContact CG-CB 3.73Å; R363-F388 HydrophobicContact CG-CD1 3.9Å; R363-F388 HydrophobicContact CG-CG 4.07Å; R364-F388 CarbonylContact O-C 3.23Å; R364-F388 WeakPolarHBondContact O-CA 3.3Å; R364-F388 VanDerWaalsContact O-CB 3.23Å; R364-F388 WeakPolarHBondContact O-CB 3.48Å; R364-F388 WeakPolarHBondContact O-CD1 3.17Å; Y365-F388 HydrophobicContact CD2-CD1 4.22Å; Y365-F388 AromaticContact CD2-CE1 3.62Å; Y365-F388 HydrophobicContact CD2-CE1 3.62Å; Y365-F388 AromaticContact CD2-CZ 3.97Å; Y365-F388 HydrophobicContact CD2-CZ 3.97Å; Y365-F388 HydrophobicContact CE2-CE1 4.45Å; Y365-F388 HydrophobicContact CE2-CZ 4.36Å; L366-F388 PolarHBondContact O-N 3.14Å; D386-F388 HydrophobicContact CB-CD2 4.13Å; D386-F388 HydrophobicContact CB-CE2 3.51Å; D386-F388 HydrophobicContact CB-CZ 4.02Å; D386-F388 VanDerWaalsContact O-CD2 3.25Å; D386-F388 WeakPolarHBondContact O-CD2 3.36Å; D386-F388 WeakPolarHBondContact O-CE2 3.25Å; F388-T456 HydrophobicContact CD2-CG2 3.9Å; F388-T456 HydrophobicContact CE2-CG2 4.24Å; F388-V457 HydrophobicContact CB-CB 4.07Å
389	Y	94.4	Very high	90.7	Very high	95 Å²	95	50.5 Å²	50.5	37%	0.373	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	162.7	171.8	70.7	-74.8	0	0	0	111	R364 L366	R364-Y389 HydrophobicContact CB-CD1 3.85Å; R364-Y389 HydrophobicContact CB-CE1 3.45Å; R364-Y389 VanDerWaalsContact CB-CE1 3.45Å; R364-Y389 HydrophobicContact CB-CE2 4.2Å; R364-Y389 HydrophobicContact CB-CG 4.4Å; R364-Y389 HydrophobicContact CG-CE1 4.43Å; R364-Y389 HydrophobicContact CG-CE2 4.37Å; R364-Y389 PolarHBondContact N-O 3.25Å; R364-Y389 PolarHBondContact O-N 2.93Å; L366-Y389 HydrophobicContact CB-CD1 3.64Å; L366-Y389 HydrophobicContact CB-CE1 4.15Å; L366-Y389 HydrophobicContact CD2-CD1 4.24Å
390	C	94.2	Very high	90.3	Very high	22 Å²	22	59.1 Å²	59.1	15%	0.149	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	177.4	-66.4	0	0	0	0	110.6	V429 P430 C460	C390-V429 VanDerWaalsContact SG-C 3.56Å; C390-P430 VanDerWaalsContact SG-N 3.44Å; C390-C460 WeakPolarHBondContact CA-SG 3.41Å; C390-C460 HydrophobicContact CB-CB 3.86Å; C390-C460 WeakPolarHBondContact CB-SG 3.34Å; C390-C460 WeakPolarHBondContact SG-CB 3.41Å; C390-C460 CovalentContact SG-SG 2.04Å; C390-C460 PolarHBondContact SG-SG 2.87Å
391	S	93.6	Very high	89.9	Confident	24 Å²	24	61.1 Å²	61.1	17%	0.168	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.1	171.4	75.2	0	0	0	0	111.6	A362 R364	A362-S391 PolarHBondContact N-O 3.35Å; A362-S391 PolarHBondContact O-N 3.03Å; A362-S391 VanDerWaalsContact O-N 3.16Å; A362-S391 VanDerWaalsContact O-O 3.09Å; R364-S391 VanDerWaalsContact CG-OG 3.24Å; R364-S391 WeakPolarHBondContact CG-OG 3.24Å
392	G	90.7	Very high	89.5	Confident	30 Å²	30	60.2 Å²	60.2	31%	0.309	33%	0.325	S	S	.	.			trans	137.8	172.9	179.9	0	0	0	0	0	112	R359	R359-G392 VanDerWaalsContact O-CA 3.29Å; R359-G392 WeakPolarHBondContact O-CA 3.23Å
393	S	89.6	Confident	89.3	Confident	20 Å²	20	63.8 Å²	63.8	14%	0.14	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-86.3	143.7	-177.8	52.8	0	0	0	0	112.4	C361	C361-S393 PolarHBondContact N-O 2.95Å; C361-S393 VanDerWaalsContact N-O 3.15Å
394	C	90.9	Very high	89.2	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	31%	0.313	C	S	.	.			trans	-117	66	173.7	-70.5	0	0	0	0	109.5	M398 P426 C462	C394-M398 HydrophobicContact CB-SD 3.99Å; C394-P426 HydrophobicContact CB-CB 3.94Å; C394-P426 HydrophobicContact CB-CG 4.3Å; C394-P426 WeakPolarHBondContact CB-O 3.19Å; C394-P426 WeakPolarHBondContact O-CD 3.37Å; C394-C462 HydrophobicContact CB-CB 3.83Å; C394-C462 WeakPolarHBondContact CB-SG 3.18Å; C394-C462 WeakPolarHBondContact SG-CB 3.4Å; C394-C462 CovalentContact SG-SG 2.04Å; C394-C462 PolarHBondContact SG-SG 3.33Å
395	Q	86.7	Confident	89.1	Confident	111 Å²	111	57.5 Å²	57.5	52%	0.519	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-97.8	149.4	-174	-69.7	176.4	-2.8	0	0	112.1	P397 M398 E425	Q395-P397 CarbonylContact O-C 3.59Å; Q395-P397 VanDerWaalsContact O-C 3.23Å; Q395-M398 WeakPolarHBondContact O-CG 3.13Å; Q395-M398 PolarHBondContact O-N 2.8Å; Q395-E425 WeakPolarHBondContact CG-OE1 3.27Å; Q395-E425 PolarHBondContact NE2-OE1 3.44Å
396	F	83.8	Confident	88.9	Confident	111 Å²	111	62 Å²	62	49%	0.487	34%	0.34	S	S	.	.	S	Bend	trans	-73.2	136	173.5	-176.5	-93.3	0	0	0	110.8	I413 A416	F396-I413 HydrophobicContact CD2-CD1 4.45Å; F396-I413 HydrophobicContact CD2-CG1 3.51Å; F396-I413 HydrophobicContact CE2-CD1 4.07Å; F396-I413 HydrophobicContact CE2-CG1 3.51Å; F396-I413 HydrophobicContact CG-CG1 4.3Å; F396-I413 HydrophobicContact CZ-CG1 4.29Å; F396-A416 HydrophobicContact CB-CB 3.98Å; F396-A416 HydrophobicContact CD1-CB 4.41Å; F396-A416 HydrophobicContact CG-CB 4.48Å
397	P	85.4	Confident	88.9	Confident	106 Å²	106	64.9 Å²	64.9	69%	0.688	35%	0.351	S	S	*	.	S	Bend	cis	-80.6	128.8	-5	31.2	-32.8	0	0	0	112.3	Q395	Q395-P397 CarbonylContact O-C 3.59Å; Q395-P397 VanDerWaalsContact O-C 3.23Å
398	M	81.8	Confident	88.9	Confident	28 Å²	28	64.3 Å²	64.3	14%	0.138	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-81.4	132.3	178.6	-68	-179	-66.4	0	0	111.2	C394 Q395 P404 A408 S412 P426 C462	C394-M398 HydrophobicContact CB-SD 3.99Å; Q395-M398 WeakPolarHBondContact O-CG 3.13Å; Q395-M398 PolarHBondContact O-N 2.8Å; M398-P404 HydrophobicContact CB-CG 4.39Å; M398-P404 HydrophobicContact CE-CB 3.47Å; M398-P404 VanDerWaalsContact CE-CB 3.47Å; M398-P404 HydrophobicContact CE-CG 4.12Å; M398-P404 HydrophobicContact SD-CB 4.05Å; M398-A408 HydrophobicContact CE-CB 4.48Å; M398-S412 WeakPolarHBondContact CE-OG 3.36Å; M398-P426 HydrophobicContact SD-CG 4.45Å; M398-C462 HydrophobicContact SD-CB 3.94Å
399	P	82	Confident	88.5	Confident	59 Å²	59	65 Å²	65	38%	0.383	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62.1	143.1	171.2	-21.9	32.2	0	0	0	112.2	A401 L402	P399-A401 PolarHBondContact O-N 2.75Å; P399-A401 VanDerWaalsContact O-N 3.1Å; P399-L402 HydrophobicContact CG-CD1 4.5Å; P399-L402 WeakPolarHBondContact O-CB 3.34Å; P399-L402 PolarHBondContact O-N 2.97Å
400	K	82.1	Confident	88.2	Confident	197 Å²	197	65.4 Å²	65.4	86%	0.857	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.3	174.4	-69.2	-174	178.6	-177.6	0	113.2	L402 K403	K400-L402 PolarHBondContact O-N 2.92Å; K400-K403 PolarHBondContact O-N 2.99Å
401	A	83.6	Confident	88	Confident	87 Å²	87	66.1 Å²	66.1	72%	0.719	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-59.8	-24.7	176	0	0	0	0	0	113.6	P399 K403	P399-A401 PolarHBondContact O-N 2.75Å; P399-A401 VanDerWaalsContact O-N 3.1Å; A401-K403 PolarHBondContact O-N 3.42Å
402	L	84.8	Confident	87.6	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.079	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-82.1	-0.7	176.3	-58	-175.8	0	0	0	113.4	N360 C361 P399 K400 A461 C462	N360-L402 HydrophobicContact CB-CD1 4.31Å; C361-L402 HydrophobicContact CB-CD1 4.35Å; C361-L402 HydrophobicContact CB-CD2 4.07Å; C361-L402 WeakPolarHBondContact O-CD2 3.45Å; P399-L402 HydrophobicContact CG-CD1 4.5Å; P399-L402 WeakPolarHBondContact O-CB 3.34Å; P399-L402 PolarHBondContact O-N 2.97Å; K400-L402 PolarHBondContact O-N 2.92Å; L402-A461 VanDerWaalsContact O-CA 3.26Å; L402-A461 WeakPolarHBondContact O-CA 3.39Å; L402-A461 WeakPolarHBondContact O-CB 3.49Å; L402-C462 PolarHBondContact O-N 3.4Å
403	K	89.3	Confident	87.3	Confident	95 Å²	95	66.9 Å²	66.9	41%	0.413	36%	0.357	S	S	.	.			trans	40.6	57.4	179.7	-61.1	175.4	-178	170.3	0	113.1	K400 A401 S405 E431 A461	K400-K403 PolarHBondContact O-N 2.99Å; A401-K403 PolarHBondContact O-N 3.42Å; K403-S405 PolarHBondContact O-N 3.11Å; K403-E431 VanDerWaalsContact CD-CD 3.49Å; K403-E431 WeakPolarHBondContact CD-OE1 3.47Å; K403-E431 WeakPolarHBondContact CD-OE2 2.94Å; K403-E431 WeakPolarHBondContact CE-OE1 3.45Å; K403-E431 IonicContact NZ-OE1 2.7Å; K403-E431 PolarHBondContact NZ-OE1 3.48Å; K403-E431 IonicContact NZ-OE2 2.79Å; K403-E431 PolarHBondContact NZ-OE2 3.49Å; K403-A461 HydrophobicContact CB-CB 4.35Å
404	P	89.8	Confident	87.2	Confident	34 Å²	34	68.1 Å²	68.1	22%	0.221	36%	0.364	C	S	.	.			trans	-64	138.1	179.9	28.7	-34.5	0	0	0	110.6	M398 A408 C462	M398-P404 HydrophobicContact CB-CG 4.39Å; M398-P404 HydrophobicContact CE-CB 3.47Å; M398-P404 VanDerWaalsContact CE-CB 3.47Å; M398-P404 HydrophobicContact CE-CG 4.12Å; M398-P404 HydrophobicContact SD-CB 4.05Å; P404-A408 HydrophobicContact CB-CB 4.22Å; P404-C462 WeakPolarHBondContact CA-O 3.33Å; P404-C462 HydrophobicContact CB-CB 4.44Å
405	S	91.3	Very high	86.9	Confident	36 Å²	36	73.1 Å²	73.1	25%	0.252	38%	0.382	S	S	.	.			trans	-64.5	161.3	168.7	75	0	0	0	0	110.6	K403 H407 A408 T409 C462 R463	K403-S405 PolarHBondContact O-N 3.11Å; S405-H407 PolarHBondContact O-N 3.15Å; S405-A408 PolarHBondContact O-N 2.92Å; S405-A408 VanDerWaalsContact OG-CB 3.31Å; S405-A408 WeakPolarHBondContact OG-CB 3.46Å; S405-A408 PolarHBondContact OG-N 2.86Å; S405-T409 PolarHBondContact O-N 3.46Å; S405-T409 PolarHBondContact O-OG1 2.04Å; S405-C462 PolarHBondContact N-O 3.4Å; S405-R463 PolarHBondContact OG-OXT 3.48Å
406	N	90.6	Very high	86.7	Confident	118 Å²	118	70.8 Å²	70.8	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-55.9	-41.2	172.6	-70.6	-23.8	0	0	0	111	T409 I410	N406-T409 PolarHBondContact O-N 2.82Å; N406-I410 WeakPolarHBondContact O-CG1 3.46Å; N406-I410 PolarHBondContact O-N 3.35Å; N406-I410 VanDerWaalsContact O-N 3.1Å
407	H	94.3	Very high	86.8	Confident	125 Å²	125	70.3 Å²	70.3	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-62.6	-48.7	175.6	-177.1	-88.6	0	0	0	111.9	S405 T409 I410 Q411	S405-H407 PolarHBondContact O-N 3.15Å; H407-T409 VanDerWaalsContact C-N 3.26Å; H407-T409 PolarHBondContact O-N 3.5Å; H407-I410 PolarHBondContact O-N 3.12Å; H407-Q411 PolarHBondContact CE1-OE1 3.18Å; H407-Q411 WeakPolarHBondContact O-CB 3.29Å; H407-Q411 PolarHBondContact O-N 3.07Å
408	A	91.8	Very high	86.7	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-58.3	-39.7	177.2	0	0	0	0	0	111.9	M398 P404 S405 Q411 S412 P426	M398-A408 HydrophobicContact CE-CB 4.48Å; P404-A408 HydrophobicContact CB-CB 4.22Å; S405-A408 PolarHBondContact O-N 2.92Å; S405-A408 VanDerWaalsContact OG-CB 3.31Å; S405-A408 WeakPolarHBondContact OG-CB 3.46Å; S405-A408 PolarHBondContact OG-N 2.86Å; A408-Q411 PolarHBondContact O-N 3.37Å; A408-S412 WeakPolarHBondContact O-CB 3.03Å; A408-S412 PolarHBondContact O-N 3.15Å; A408-P426 HydrophobicContact CB-CB 3.87Å; A408-P426 HydrophobicContact CB-CG 4.02Å; A408-P426 WeakPolarHBondContact O-CG 2.99Å
409	T	86.9	Confident	86.6	Confident	49 Å²	49	71.5 Å²	71.5	30%	0.301	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-51.9	177.1	-56.8	0	0	0	0	110.8	S405 N406 H407 Q411 S412 I413	S405-T409 PolarHBondContact O-N 3.46Å; S405-T409 PolarHBondContact O-OG1 2.04Å; N406-T409 PolarHBondContact O-N 2.82Å; H407-T409 VanDerWaalsContact C-N 3.26Å; H407-T409 PolarHBondContact O-N 3.5Å; T409-Q411 PolarHBondContact O-N 3.15Å; T409-S412 PolarHBondContact O-N 3.44Å; T409-S412 PolarHBondContact O-OG 2.92Å; T409-I413 HydrophobicContact CG2-CD1 4.29Å; T409-I413 WeakPolarHBondContact O-CG1 3.3Å; T409-I413 PolarHBondContact O-N 3.2Å
410	I	89.4	Confident	86.8	Confident	105 Å²	105	72.1 Å²	72.1	54%	0.538	41%	0.407	S	S	.	.	H	α-helix	trans	-61.5	-45.8	177.9	-65.1	168.4	0	0	0	110.8	N406 H407 S412 I413 V414	N406-I410 WeakPolarHBondContact O-CG1 3.46Å; N406-I410 PolarHBondContact O-N 3.35Å; N406-I410 VanDerWaalsContact O-N 3.1Å; H407-I410 PolarHBondContact O-N 3.12Å; I410-S412 VanDerWaalsContact C-N 3.31Å; I410-S412 PolarHBondContact O-N 3.08Å; I410-I413 PolarHBondContact O-N 3.4Å; I410-I413 VanDerWaalsContact O-N 3.12Å; I410-V414 HydrophobicContact CG2-CG2 4.21Å; I410-V414 WeakPolarHBondContact O-CG2 3.05Å; I410-V414 PolarHBondContact O-N 3.27Å
411	Q	89.2	Confident	87.1	Confident	37 Å²	37	68.6 Å²	68.6	17%	0.173	40%	0.404	C	S	.	.	H	α-helix	trans	-58.9	-42.1	178.8	-176.3	178.4	-29.1	0	0	111.8	H407 A408 T409 I413 V414 R415 I423 P424 P426	H407-Q411 PolarHBondContact CE1-OE1 3.18Å; H407-Q411 WeakPolarHBondContact O-CB 3.29Å; H407-Q411 PolarHBondContact O-N 3.07Å; A408-Q411 PolarHBondContact O-N 3.37Å; T409-Q411 PolarHBondContact O-N 3.15Å; Q411-I413 VanDerWaalsContact C-N 3.32Å; Q411-I413 PolarHBondContact O-N 2.74Å; Q411-V414 PolarHBondContact O-N 2.98Å; Q411-R415 WeakPolarHBondContact O-CB 3.48Å; Q411-R415 PolarHBondContact O-N 3.28Å; Q411-I423 HydrophobicContact CG-CG2 3.83Å; Q411-P424 PolarHBondContact NE2-O 2.7Å; Q411-P426 HydrophobicContact CB-CG 4.48Å
412	S	85.5	Confident	87.3	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.021	41%	0.408	C	S	.	.	H	α-helix	trans	-62.8	-37.7	176.7	78.8	0	0	0	0	112.6	M398 A408 T409 I410 A416	M398-S412 WeakPolarHBondContact CE-OG 3.36Å; A408-S412 WeakPolarHBondContact O-CB 3.03Å; A408-S412 PolarHBondContact O-N 3.15Å; T409-S412 PolarHBondContact O-N 3.44Å; T409-S412 PolarHBondContact O-OG 2.92Å; I410-S412 VanDerWaalsContact C-N 3.31Å; I410-S412 PolarHBondContact O-N 3.08Å; S412-A416 VanDerWaalsContact O-CB 3.3Å; S412-A416 WeakPolarHBondContact O-CB 3.04Å; S412-A416 PolarHBondContact O-N 3.49Å
413	I	85.1	Confident	87.5	Confident	66 Å²	66	69.9 Å²	69.9	34%	0.338	42%	0.417	S	S	.	.	H	α-helix	trans	-69	-50	177.3	-65.6	164.4	0	0	0	109.9	F396 T409 I410 Q411 R415 A416 V417	F396-I413 HydrophobicContact CD2-CD1 4.45Å; F396-I413 HydrophobicContact CD2-CG1 3.51Å; F396-I413 HydrophobicContact CE2-CD1 4.07Å; F396-I413 HydrophobicContact CE2-CG1 3.51Å; F396-I413 HydrophobicContact CG-CG1 4.3Å; F396-I413 HydrophobicContact CZ-CG1 4.29Å; T409-I413 HydrophobicContact CG2-CD1 4.29Å; T409-I413 WeakPolarHBondContact O-CG1 3.3Å; T409-I413 PolarHBondContact O-N 3.2Å; I410-I413 PolarHBondContact O-N 3.4Å; I410-I413 VanDerWaalsContact O-N 3.12Å; Q411-I413 VanDerWaalsContact C-N 3.32Å; Q411-I413 PolarHBondContact O-N 2.74Å; I413-R415 VanDerWaalsContact C-N 3.25Å; I413-R415 PolarHBondContact O-N 3.4Å; I413-A416 PolarHBondContact O-N 3.46Å; I413-V417 HydrophobicContact CG2-CG2 4.08Å; I413-V417 WeakPolarHBondContact O-CG2 3.04Å; I413-V417 PolarHBondContact O-N 2.98Å
414	V	87.1	Confident	87.7	Confident	47 Å²	47	69 Å²	69	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-57.5	-42.8	179.9	173.2	0	0	0	0	110.7	I410 Q411 G418 V420 I423	I410-V414 HydrophobicContact CG2-CG2 4.21Å; I410-V414 WeakPolarHBondContact O-CG2 3.05Å; I410-V414 PolarHBondContact O-N 3.27Å; Q411-V414 PolarHBondContact O-N 2.98Å; V414-G418 PolarHBondContact O-N 2.99Å; V414-V420 HydrophobicContact CG1-CB 4.39Å; V414-V420 HydrophobicContact CG1-CG2 4.45Å; V414-I423 HydrophobicContact CG1-CG1 4.12Å
415	R	85.1	Confident	87.6	Confident	106 Å²	106	69.8 Å²	69.8	40%	0.4	42%	0.422	S	S	.	.	H	α-helix	trans	-63	-44.5	174.6	179.8	176.3	170.4	102.4	-12.4	112.3	Q411 I413 G418 I423 E425	Q411-R415 WeakPolarHBondContact O-CB 3.48Å; Q411-R415 PolarHBondContact O-N 3.28Å; I413-R415 VanDerWaalsContact C-N 3.25Å; I413-R415 PolarHBondContact O-N 3.4Å; R415-G418 PolarHBondContact O-N 3.2Å; R415-I423 HydrophobicContact CB-CB 4.49Å; R415-I423 HydrophobicContact CB-CG2 4.18Å; R415-I423 WeakPolarHBondContact CD-O 3.3Å; R415-I423 PolarHBondContact NH1-O 2.99Å; R415-E425 IonicContact CZ-OE1 3.63Å; R415-E425 IonicContact NE-OE1 3.5Å; R415-E425 IonicContact NH2-OE1 2.97Å; R415-E425 PolarHBondContact NH2-OE1 3.41Å
416	A	82.1	Confident	87.7	Confident	62 Å²	62	68.4 Å²	68.4	51%	0.512	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-38	-178.2	0	0	0	0	0	113.1	F396 S412 I413 G418	F396-A416 HydrophobicContact CB-CB 3.98Å; F396-A416 HydrophobicContact CD1-CB 4.41Å; F396-A416 HydrophobicContact CG-CB 4.48Å; S412-A416 VanDerWaalsContact O-CB 3.3Å; S412-A416 WeakPolarHBondContact O-CB 3.04Å; S412-A416 PolarHBondContact O-N 3.49Å; I413-A416 PolarHBondContact O-N 3.46Å; A416-G418 VanDerWaalsContact C-N 3.3Å
417	V	85.1	Confident	87.9	Confident	101 Å²	101	66.7 Å²	66.7	61%	0.612	41%	0.409	S	S	*	.	H	α-helix	trans	-74	-25.3	177	-177.6	0	0	0	0	111.2	I413 V419	I413-V417 HydrophobicContact CG2-CG2 4.08Å; I413-V417 WeakPolarHBondContact O-CG2 3.04Å; I413-V417 PolarHBondContact O-N 2.98Å; V417-V419 VanDerWaalsContact C-N 3.3Å; V417-V419 HydrophobicContact CB-CG2 4.05Å; V417-V419 HydrophobicContact CG1-CG2 3.43Å; V417-V419 VanDerWaalsContact CG1-CG2 3.43Å; V417-V419 PolarHBondContact O-N 3.1Å
418	G	83.6	Confident	88	Confident	51 Å²	51	61.9 Å²	61.9	53%	0.526	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	22.1	174.6	0	0	0	0	0	114.1	V414 R415 A416 V420	V414-G418 PolarHBondContact O-N 2.99Å; R415-G418 PolarHBondContact O-N 3.2Å; A416-G418 VanDerWaalsContact C-N 3.3Å; G418-V420 VanDerWaalsContact C-N 3.28Å; G418-V420 PolarHBondContact O-N 2.79Å
419	V	80.9	Confident	88.2	Confident	108 Å²	108	64.1 Å²	64.1	66%	0.655	40%	0.402	S	S	*	.	S	Bend	trans	-63.2	-37.8	178.6	-174.9	0	0	0	0	111.2	V417	V417-V419 VanDerWaalsContact C-N 3.3Å; V417-V419 HydrophobicContact CB-CG2 4.05Å; V417-V419 HydrophobicContact CG1-CG2 3.43Å; V417-V419 VanDerWaalsContact CG1-CG2 3.43Å; V417-V419 PolarHBondContact O-N 3.1Å
420	V	85.3	Confident	88.6	Confident	72 Å²	72	64.4 Å²	64.4	44%	0.436	41%	0.405	S	S	.	.	S	Bend	trans	-118.3	116.6	-179.4	-176.7	0	0	0	0	108.6	V414 G418 I423	V414-V420 HydrophobicContact CG1-CB 4.39Å; V414-V420 HydrophobicContact CG1-CG2 4.45Å; G418-V420 VanDerWaalsContact C-N 3.28Å; G418-V420 PolarHBondContact O-N 2.79Å; V420-I423 HydrophobicContact CB-CD1 4.39Å; V420-I423 HydrophobicContact CB-CG1 3.92Å; V420-I423 HydrophobicContact CG1-CD1 3.96Å; V420-I423 HydrophobicContact CG1-CG1 3.94Å
421	P	87.6	Confident	88.7	Confident	123 Å²	123	62.1 Å²	62.1	80%	0.799	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	147.7	175.3	28.8	-33.4	0	0	0	110.6
422	G	87.9	Confident	88.9	Confident	78 Å²	78	66.2 Å²	66.2	80%	0.804	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	1.5	173.9	0	0	0	0	0	116.2	P424	G422-P424 WeakPolarHBondContact O-CD 3.39Å
423	I	90.1	Very high	89.2	Confident	51 Å²	51	69.8 Å²	69.8	26%	0.262	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-72.6	120.4	176	-58.1	-58.5	0	0	0	110.7	Q411 V414 R415 V420	Q411-I423 HydrophobicContact CG-CG2 3.83Å; V414-I423 HydrophobicContact CG1-CG1 4.12Å; R415-I423 HydrophobicContact CB-CB 4.49Å; R415-I423 HydrophobicContact CB-CG2 4.18Å; R415-I423 WeakPolarHBondContact CD-O 3.3Å; R415-I423 PolarHBondContact NH1-O 2.99Å; V420-I423 HydrophobicContact CB-CD1 4.39Å; V420-I423 HydrophobicContact CB-CG1 3.92Å; V420-I423 HydrophobicContact CG1-CD1 3.96Å; V420-I423 HydrophobicContact CG1-CG1 3.94Å
424	P	92.5	Very high	89.5	Confident	78 Å²	78	68.4 Å²	68.4	51%	0.506	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-75	165.8	179.3	31.5	-34.7	0	0	0	112.5	Q411 G422	Q411-P424 PolarHBondContact NE2-O 2.7Å; G422-P424 WeakPolarHBondContact O-CD 3.39Å
425	E	89.1	Confident	89.6	Confident	49 Å²	49	69.7 Å²	69.7	23%	0.229	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-67	150.1	167.9	-63.2	-177.8	-170.7	0	0	109.8	Q395 R415	Q395-E425 WeakPolarHBondContact CG-OE1 3.27Å; Q395-E425 PolarHBondContact NE2-OE1 3.44Å; R415-E425 IonicContact CZ-OE1 3.63Å; R415-E425 IonicContact NE-OE1 3.5Å; R415-E425 IonicContact NH2-OE1 2.97Å; R415-E425 PolarHBondContact NH2-OE1 3.41Å
426	P	93.6	Very high	89.9	Confident	7 Å²	7	65.9 Å²	65.9	5%	0.045	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-51.9	146.9	164.2	-23.5	33.2	0	0	0	111.4	C394 M398 A408 Q411 C462	C394-P426 HydrophobicContact CB-CB 3.94Å; C394-P426 HydrophobicContact CB-CG 4.3Å; C394-P426 WeakPolarHBondContact CB-O 3.19Å; C394-P426 WeakPolarHBondContact O-CD 3.37Å; M398-P426 HydrophobicContact SD-CG 4.45Å; A408-P426 HydrophobicContact CB-CB 3.87Å; A408-P426 HydrophobicContact CB-CG 4.02Å; A408-P426 WeakPolarHBondContact O-CG 2.99Å; Q411-P426 HydrophobicContact CB-CG 4.48Å; P426-C462 HydrophobicContact CB-CB 4.4Å
427	C	94.8	Very high	90.3	Very high	83 Å²	83	63.7 Å²	63.7	56%	0.561	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-82.8	137.7	-176.1	-72.9	0	0	0	0	110.6	V429 C462 R463	C427-V429 HydrophobicContact CB-CG1 3.91Å; C427-V429 PolarHBondContact O-N 3.07Å; C427-C462 WeakPolarHBondContact O-CA 3.4Å; C427-R463 PolarHBondContact N-O 3.38Å; C427-R463 VanDerWaalsContact N-O 3.11Å; C427-R463 PolarHBondContact O-N 3.31Å
428	C	94.9	Very high	90.6	Very high	24 Å²	24	58.9 Å²	58.9	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	106.6	170.4	-175.4	0	0	0	0	109.4	C361	C361-C428 WeakPolarHBondContact CA-SG 3.46Å; C361-C428 HydrophobicContact CB-CB 3.71Å; C361-C428 WeakPolarHBondContact CB-SG 3.06Å; C361-C428 WeakPolarHBondContact SG-CA 3.5Å; C361-C428 WeakPolarHBondContact SG-CB 3.39Å; C361-C428 CovalentContact SG-SG 2.03Å; C361-C428 PolarHBondContact SG-SG 2.98Å
429	V	95.8	Very high	91.1	Very high	47 Å²	47	56.5 Å²	56.5	29%	0.285	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.1	-172	-61.9	0	0	0	0	112	C390 C427 E431 C460 A461 R463	C390-V429 VanDerWaalsContact SG-C 3.56Å; C427-V429 HydrophobicContact CB-CG1 3.91Å; C427-V429 PolarHBondContact O-N 3.07Å; V429-E431 PolarHBondContact O-N 3.43Å; V429-C460 CarbonylContact O-C 3.47Å; V429-C460 VanDerWaalsContact O-CA 3.31Å; V429-C460 WeakPolarHBondContact O-CA 3.04Å; V429-A461 PolarHBondContact N-O 3.31Å; V429-A461 PolarHBondContact O-N 3.42Å; V429-R463 HydrophobicContact CG2-CB 3.74Å; V429-R463 HydrophobicContact CG2-CG 3.44Å; V429-R463 VanDerWaalsContact CG2-CG 3.44Å
430	P	95.5	Very high	91.7	Very high	54 Å²	54	51.4 Å²	51.4	35%	0.351	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	132.9	172.2	-23.3	34.8	0	0	0	111.8	C390 M433 V457	C390-P430 VanDerWaalsContact SG-N 3.44Å; P430-M433 HydrophobicContact CB-CG 3.86Å; P430-M433 HydrophobicContact CB-SD 3.84Å; P430-M433 HydrophobicContact CG-SD 4.43Å; P430-V457 HydrophobicContact CB-CG1 4.09Å; P430-V457 HydrophobicContact CB-CG2 4.1Å; P430-V457 HydrophobicContact CG-CG1 4.39Å; P430-V457 HydrophobicContact CG-CG2 3.84Å
431	E	92.6	Very high	91.9	Very high	58 Å²	58	51.2 Å²	51.2	27%	0.271	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-50.1	174.4	-175.5	-157.8	-175.5	0	0	111	K403 V429 S459 A461	K403-E431 VanDerWaalsContact CD-CD 3.49Å; K403-E431 WeakPolarHBondContact CD-OE1 3.47Å; K403-E431 WeakPolarHBondContact CD-OE2 2.94Å; K403-E431 WeakPolarHBondContact CE-OE1 3.45Å; K403-E431 IonicContact NZ-OE1 2.7Å; K403-E431 PolarHBondContact NZ-OE1 3.48Å; K403-E431 IonicContact NZ-OE2 2.79Å; K403-E431 PolarHBondContact NZ-OE2 3.49Å; V429-E431 PolarHBondContact O-N 3.43Å; E431-S459 PolarHBondContact N-O 2.91Å; E431-S459 PolarHBondContact OE2-OG 3.2Å; E431-S459 VanDerWaalsContact OE2-OG 3.12Å; E431-A461 HydrophobicContact CB-CB 3.91Å; E431-A461 HydrophobicContact CG-CB 4.26Å
432	K	92.9	Very high	91.8	Very high	122 Å²	122	46 Å²	46	53%	0.53	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.2	175	-65.5	-175.6	177.5	-173.4	0	109.3	D458 S459	K432-D458 HydrophobicContact CB-CB 4.1Å; K432-D458 PolarHBondContact O-N 3.45Å; K432-S459 WeakPolarHBondContact CB-OG 3.5Å; K432-S459 PolarHBondContact N-O 3.49Å; K432-S459 PolarHBondContact N-OG 3.42Å; K432-S459 PolarHBondContact O-N 3.49Å
433	M	92.2	Very high	91.7	Very high	78 Å²	78	46.9 Å²	46.9	38%	0.384	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.7	178.2	-61.8	178.1	-76.4	0	0	110.1	P430 N454 T456	P430-M433 HydrophobicContact CB-CG 3.86Å; P430-M433 HydrophobicContact CB-SD 3.84Å; P430-M433 HydrophobicContact CG-SD 4.43Å; M433-N454 HydrophobicContact CB-CB 4.32Å; M433-N454 HydrophobicContact CE-CB 3.75Å; M433-N454 HydrophobicContact SD-CB 3.86Å; M433-T456 CarbonylContact C-O 3.58Å; M433-T456 WeakPolarHBondContact CA-O 3.41Å; M433-T456 WeakPolarHBondContact CB-O 3.49Å
434	S	90.6	Very high	91.3	Very high	38 Å²	38	48 Å²	48	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156.3	177	44.3	0	0	0	0	111.2	M455 T456 D458	S434-M455 PolarHBondContact O-N 3.26Å; S434-T456 PolarHBondContact N-O 3.13Å; S434-T456 PolarHBondContact O-N 3.02Å; S434-T456 VanDerWaalsContact O-N 3.14Å; S434-T456 WeakPolarHBondContact OG-CB 3.37Å; S434-T456 PolarHBondContact OG-O 3.49Å; S434-D458 WeakPolarHBondContact CB-OD2 3.29Å; S434-D458 PolarHBondContact N-OD2 3.3Å; S434-D458 PolarHBondContact OG-OD1 2.84Å; S434-D458 PolarHBondContact OG-OD2 2.87Å
435	S	89.9	Confident	91	Very high	74 Å²	74	50.8 Å²	50.8	52%	0.517	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	158.6	178.6	53	0	0	0	0	112.1	Y452	S435-Y452 CarbonylContact C-O 3.57Å; S435-Y452 WeakPolarHBondContact CA-O 3.43Å; S435-Y452 WeakPolarHBondContact CB-O 3.37Å
436	L	90.4	Very high	91	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.131	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.5	175.9	-178.1	67.7	0	0	0	110.5	F370 P382 F385 I438 Y452 M455	F370-L436 HydrophobicContact CZ-CD2 4.17Å; P382-L436 HydrophobicContact CG-CD1 4.38Å; F385-L436 HydrophobicContact CB-CD1 4.13Å; F385-L436 HydrophobicContact CB-CD2 3.97Å; F385-L436 HydrophobicContact CD1-CD2 3.74Å; F385-L436 HydrophobicContact CD2-CD2 3.73Å; F385-L436 HydrophobicContact CE1-CD2 4.13Å; F385-L436 HydrophobicContact CE2-CD2 4.09Å; F385-L436 HydrophobicContact CG-CD1 4.49Å; F385-L436 HydrophobicContact CG-CD2 3.53Å; F385-L436 HydrophobicContact CZ-CD2 4.29Å; L436-I438 HydrophobicContact CD2-CD1 4.09Å; L436-I438 HydrophobicContact CD2-CG1 4.02Å; L436-I438 HydrophobicContact CG-CG1 4.03Å; L436-Y452 PolarHBondContact N-O 3.49Å; L436-Y452 PolarHBondContact O-N 2.78Å; L436-M455 HydrophobicContact CB-CB 3.65Å; L436-M455 HydrophobicContact CB-CG 3.89Å; L436-M455 HydrophobicContact CD2-CE 4.22Å
437	S	91.4	Very high	90.9	Very high	16 Å²	16	49.1 Å²	49.1	11%	0.112	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.5	170.2	-53.9	0	0	0	0	109.9	Y69 N73 K450	Y69-S437 WeakPolarHBondContact CE2-O 3.37Å; N73-S437 WeakPolarHBondContact OD1-CB 3.45Å; S437-K450 CarbonylContact C-O 3.52Å; S437-K450 WeakPolarHBondContact CA-O 3.3Å
438	I	91.9	Very high	90.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.6	178.7	-53.7	-179.1	0	0	0	108.8	L246 F370 I379 L436 F440 L449 K450 Y452	L246-I438 HydrophobicContact CD2-CD1 4.49Å; F370-I438 HydrophobicContact CZ-CD1 4.09Å; I379-I438 HydrophobicContact CD1-CG2 4.35Å; I379-I438 HydrophobicContact CG1-CG2 4.25Å; I379-I438 HydrophobicContact CG2-CG2 4.02Å; L436-I438 HydrophobicContact CD2-CD1 4.09Å; L436-I438 HydrophobicContact CD2-CG1 4.02Å; L436-I438 HydrophobicContact CG-CG1 4.03Å; I438-F440 HydrophobicContact CG2-CB 4.43Å; I438-F440 HydrophobicContact CG2-CD1 4.09Å; I438-L449 WeakPolarHBondContact O-CA 3.37Å; I438-K450 PolarHBondContact N-O 3.47Å; I438-K450 PolarHBondContact O-N 3.05Å; I438-Y452 HydrophobicContact CB-CD2 4.26Å; I438-Y452 HydrophobicContact CB-CE2 4.27Å; I438-Y452 HydrophobicContact CD1-CD2 3.69Å; I438-Y452 HydrophobicContact CD1-CE2 4.06Å; I438-Y452 HydrophobicContact CG1-CD2 4Å; I438-Y452 HydrophobicContact CG1-CE2 4.43Å
439	L	93.3	Very high	90.7	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.2	171.3	-173.2	72.9	0	0	0	108.6	M65 Q66 Y69 I380 S381 V447 V448 L449	M65-L439 HydrophobicContact CB-CD1 4.26Å; M65-L439 HydrophobicContact CE-CD1 4.19Å; Q66-L439 HydrophobicContact CG-CD2 4.08Å; Y69-L439 HydrophobicContact CD2-CB 3.85Å; Y69-L439 HydrophobicContact CE2-CB 4.33Å; Y69-L439 HydrophobicContact CG-CB 4.31Å; I380-L439 WeakPolarHBondContact CA-O 3.26Å; I380-L439 HydrophobicContact CB-CD2 4.29Å; I380-L439 HydrophobicContact CB-CG 4.28Å; I380-L439 WeakPolarHBondContact CB-O 3.31Å; I380-L439 HydrophobicContact CD1-CG 4.27Å; I380-L439 HydrophobicContact CG2-CD2 4.06Å; I380-L439 PolarHBondContact N-O 3.44Å; S381-L439 PolarHBondContact N-O 3.12Å; S381-L439 PolarHBondContact O-N 3Å; L439-V447 HydrophobicContact CD1-CG1 3.56Å; L439-V447 HydrophobicContact CG-CG1 4.06Å; L439-V448 CarbonylContact C-O 3.47Å; L439-V448 WeakPolarHBondContact CA-O 3.48Å; L439-L449 HydrophobicContact CB-CD1 4.44Å; L439-L449 HydrophobicContact CD1-CB 3.9Å; L439-L449 HydrophobicContact CD1-CD1 4.41Å
440	F	92.4	Very high	90.4	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	169.7	-173.6	69.1	-88.3	0	0	0	112.9	H249 W378 I379 I438 V448 K450 Y452	H249-F440 AromaticContact CD2-CE2 3.85Å; H249-F440 AromaticContact CE1-CE2 3.92Å; H249-F440 AromaticContact NE2-CE2 3.42Å; H249-F440 WeakPolarHBondContact NE2-CE2 3.42Å; W378-F440 HydrophobicContact CE3-CB 3.64Å; W378-F440 AromaticContact CE3-CD2 3.67Å; W378-F440 HydrophobicContact CE3-CD2 3.67Å; W378-F440 AromaticContact CE3-CG 3.85Å; W378-F440 HydrophobicContact CE3-CG 3.85Å; W378-F440 HydrophobicContact CZ3-CB 3.88Å; W378-F440 HydrophobicContact CZ3-CD1 4.45Å; W378-F440 AromaticContact CZ3-CD2 3.86Å; W378-F440 HydrophobicContact CZ3-CD2 3.86Å; W378-F440 AromaticContact CZ3-CG 3.82Å; W378-F440 HydrophobicContact CZ3-CG 3.82Å; W378-F440 CarbonylContact O-C 3.57Å; W378-F440 VanDerWaalsContact O-CA 3.23Å; W378-F440 WeakPolarHBondContact O-CA 3.47Å; W378-F440 VanDerWaalsContact O-CB 3.31Å; W378-F440 WeakPolarHBondContact O-CB 3.15Å; I379-F440 HydrophobicContact CG1-CB 4.34Å; I438-F440 HydrophobicContact CG2-CB 4.43Å; I438-F440 HydrophobicContact CG2-CD1 4.09Å; F440-V448 HydrophobicContact CD1-CB 4.49Å; F440-V448 HydrophobicContact CE1-CB 4.1Å; F440-V448 HydrophobicContact CE1-CG1 3.97Å; F440-V448 HydrophobicContact CE2-CB 4.09Å; F440-V448 HydrophobicContact CE2-CG1 4.44Å; F440-V448 HydrophobicContact CZ-CB 3.88Å; F440-V448 HydrophobicContact CZ-CG1 3.78Å; F440-V448 PolarHBondContact N-O 3.17Å; F440-V448 PolarHBondContact O-N 2.71Å; F440-K450 HydrophobicContact CE1-CB 3.84Å; F440-K450 HydrophobicContact CE1-CD 4.38Å; F440-K450 HydrophobicContact CZ-CD 4.42Å; F440-Y452 HydrophobicContact CE1-CE2 4.41Å
441	F	90.4	Very high	90.2	Very high	67 Å²	67	40.7 Å²	40.7	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.2	173.4	-69.4	-69.2	0	0	0	111.6	W378 I380 N446 V447	W378-F441 PolarHBondContact O-N 3.16Å; I380-F441 HydrophobicContact CD1-CD1 4.11Å; I380-F441 HydrophobicContact CD1-CD2 3.76Å; I380-F441 HydrophobicContact CD1-CE1 3.88Å; I380-F441 HydrophobicContact CD1-CE2 3.5Å; I380-F441 HydrophobicContact CD1-CG 4.05Å; I380-F441 HydrophobicContact CD1-CZ 3.57Å; I380-F441 HydrophobicContact CG1-CD2 3.66Å; I380-F441 HydrophobicContact CG1-CE2 3.46Å; I380-F441 VanDerWaalsContact CG1-CE2 3.46Å; I380-F441 HydrophobicContact CG1-CG 4.39Å; I380-F441 HydrophobicContact CG1-CZ 4.03Å; F441-N446 CarbonylContact C-O 3.52Å; F441-N446 WeakPolarHBondContact CA-O 3.46Å; F441-V447 HydrophobicContact CD1-CG2 3.84Å; F441-V447 HydrophobicContact CE1-CG2 3.46Å; F441-V447 VanDerWaalsContact CE1-CG2 3.46Å; F441-V447 HydrophobicContact CZ-CG2 4.36Å
442	D	86.5	Confident	90	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.07	19%	0.193	C	C	.	.			trans	-77.2	175.8	171.1	-159.6	5.5	0	0	0	112.4	R86 S107 H249 D444 K445 N446 V448	R86-D442 IonicContact CZ-OD2 3.84Å; R86-D442 IonicContact NH1-OD2 2.9Å; R86-D442 PolarHBondContact NH1-OD2 3.1Å; S107-D442 WeakPolarHBondContact CB-OD2 3.5Å; S107-D442 PolarHBondContact OG-OD2 3.32Å; H249-D442 IonicContact CE1-OD1 3.97Å; H249-D442 PolarHBondContact CE1-OD1 3.23Å; H249-D442 IonicContact ND1-OD1 2.87Å; H249-D442 PolarHBondContact ND1-OD1 2.91Å; D442-D444 PolarHBondContact O-N 2.9Å; D442-K445 WeakPolarHBondContact O-CA 3.34Å; D442-K445 PolarHBondContact O-N 3.31Å; D442-N446 HydrophobicContact CB-CB 4.31Å; D442-N446 PolarHBondContact N-O 3.37Å; D442-V448 HydrophobicContact CB-CG2 3.93Å
443	E	83.9	Confident	89.7	Confident	97 Å²	97	34 Å²	34	45%	0.453	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-40.5	175.1	-64.6	179.4	-166.5	0	0	111.8	K445	E443-K445 PolarHBondContact O-N 3.39Å
444	D	82.9	Confident	89.5	Confident	75 Å²	75	34.6 Å²	34.6	40%	0.401	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	9.9	175.7	-69.7	-35.7	0	0	0	113.9	S107 D442 N446	S107-D444 WeakPolarHBondContact CB-OD2 3.43Å; D442-D444 PolarHBondContact O-N 2.9Å; D444-N446 WeakPolarHBondContact CB-ND2 3.35Å; D444-N446 PolarHBondContact O-N 3.18Å; D444-N446 VanDerWaalsContact O-N 3.17Å
445	K	85.7	Confident	89.5	Confident	137 Å²	137	34.5 Å²	34.5	60%	0.596	18%	0.181	S	C	*	.	S	Bend	trans	58.6	21.1	-173.4	-59	-62.9	-172.8	-175.8	0	114.7	D442 E443	D442-K445 WeakPolarHBondContact O-CA 3.34Å; D442-K445 PolarHBondContact O-N 3.31Å; E443-K445 PolarHBondContact O-N 3.39Å
446	N	88.9	Confident	89.6	Confident	20 Å²	20	32 Å²	32	11%	0.107	16%	0.162	C	C	.	.			trans	-73.7	141.1	169.9	-72.1	-41	0	0	0	110.3	S87 F441 D442 D444	S87-N446 VanDerWaalsContact O-CB 3.27Å; S87-N446 WeakPolarHBondContact O-CB 3.37Å; S87-N446 PolarHBondContact O-OD1 2.92Å; F441-N446 CarbonylContact C-O 3.52Å; F441-N446 WeakPolarHBondContact CA-O 3.46Å; D442-N446 HydrophobicContact CB-CB 4.31Å; D442-N446 PolarHBondContact N-O 3.37Å; D444-N446 WeakPolarHBondContact CB-ND2 3.35Å; D444-N446 PolarHBondContact O-N 3.18Å; D444-N446 VanDerWaalsContact O-N 3.17Å
447	V	92.4	Very high	89.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.4	176.3	-180	0	0	0	0	109.2	M61 M65 S87 I380 L439 F441	M61-V447 HydrophobicContact CE-CB 3.88Å; M61-V447 HydrophobicContact CE-CG2 3.49Å; M61-V447 VanDerWaalsContact CE-CG2 3.49Å; M65-V447 HydrophobicContact CB-CG1 3.79Å; M65-V447 HydrophobicContact CE-CG1 4.11Å; M65-V447 HydrophobicContact CG-CB 4.27Å; M65-V447 HydrophobicContact CG-CG1 3.97Å; S87-V447 WeakPolarHBondContact CB-O 3.33Å; S87-V447 PolarHBondContact N-O 2.96Å; S87-V447 WeakPolarHBondContact OG-CA 3.31Å; S87-V447 WeakPolarHBondContact OG-CB 3.12Å; S87-V447 PolarHBondContact OG-N 3.3Å; S87-V447 PolarHBondContact OG-O 3.1Å; I380-V447 HydrophobicContact CD1-CG1 4Å; I380-V447 HydrophobicContact CD1-CG2 4.17Å; L439-V447 HydrophobicContact CD1-CG1 3.56Å; L439-V447 HydrophobicContact CG-CG1 4.06Å; F441-V447 HydrophobicContact CD1-CG2 3.84Å; F441-V447 HydrophobicContact CE1-CG2 3.46Å; F441-V447 VanDerWaalsContact CE1-CG2 3.46Å; F441-V447 HydrophobicContact CZ-CG2 4.36Å
448	V	92.3	Very high	90	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.6	-177.2	-174.6	0	0	0	0	109.5	T84 V85 R86 L439 F440 D442	T84-V448 HydrophobicContact CG2-CG1 4.02Å; V85-V448 CarbonylContact O-C 3.47Å; V85-V448 WeakPolarHBondContact O-CA 3.47Å; R86-V448 HydrophobicContact CG-CG1 3.94Å; R86-V448 HydrophobicContact CG-CG2 3.98Å; L439-V448 CarbonylContact C-O 3.47Å; L439-V448 WeakPolarHBondContact CA-O 3.48Å; F440-V448 HydrophobicContact CD1-CB 4.49Å; F440-V448 HydrophobicContact CE1-CB 4.1Å; F440-V448 HydrophobicContact CE1-CG1 3.97Å; F440-V448 HydrophobicContact CE2-CB 4.09Å; F440-V448 HydrophobicContact CE2-CG1 4.44Å; F440-V448 HydrophobicContact CZ-CB 3.88Å; F440-V448 HydrophobicContact CZ-CG1 3.78Å; F440-V448 PolarHBondContact N-O 3.17Å; F440-V448 PolarHBondContact O-N 2.71Å; D442-V448 HydrophobicContact CB-CG2 3.93Å
449	L	92.1	Very high	90.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.4	170.2	172.3	63.1	0	0	0	108.6	M65 L68 Y69 Y72 F79 T84 V85 I438 L439	M65-L449 HydrophobicContact CE-CB 3.9Å; L68-L449 HydrophobicContact CB-CD2 4.31Å; Y69-L449 HydrophobicContact CD2-CD1 3.69Å; Y72-L449 HydrophobicContact CD2-CD2 3.44Å; Y72-L449 VanDerWaalsContact CD2-CD2 3.44Å; Y72-L449 HydrophobicContact CE2-CD2 3.74Å; Y72-L449 HydrophobicContact CG-CD2 4.5Å; F79-L449 HydrophobicContact CE2-CD2 4.48Å; F79-L449 HydrophobicContact CZ-CD2 4.32Å; T84-L449 CarbonylContact C-O 3.59Å; T84-L449 WeakPolarHBondContact CA-O 3.03Å; V85-L449 HydrophobicContact CB-CB 4.27Å; V85-L449 PolarHBondContact N-O 3.39Å; V85-L449 PolarHBondContact O-N 3.36Å; I438-L449 WeakPolarHBondContact O-CA 3.37Å; L439-L449 HydrophobicContact CB-CD1 4.44Å; L439-L449 HydrophobicContact CD1-CB 3.9Å; L439-L449 HydrophobicContact CD1-CD1 4.41Å
450	K	90.6	Very high	90.2	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.9	-175.8	-165.5	156.5	-178.4	170.9	0	111.7	N83 T84 D233 I236 T245 S437 I438 F440 Y452	N83-K450 WeakPolarHBondContact O-CA 3.39Å; T84-K450 HydrophobicContact CG2-CD 4.15Å; T84-K450 HydrophobicContact CG2-CG 4.39Å; D233-K450 WeakPolarHBondContact OD2-CE 3.33Å; D233-K450 IonicContact OD2-NZ 2.75Å; D233-K450 PolarHBondContact OD2-NZ 3.07Å; I236-K450 HydrophobicContact CD1-CD 3.97Å; I236-K450 HydrophobicContact CD1-CG 3.74Å; T245-K450 VanDerWaalsContact CG2-NZ 3.32Å; S437-K450 CarbonylContact C-O 3.52Å; S437-K450 WeakPolarHBondContact CA-O 3.3Å; I438-K450 PolarHBondContact N-O 3.47Å; I438-K450 PolarHBondContact O-N 3.05Å; F440-K450 HydrophobicContact CE1-CB 3.84Å; F440-K450 HydrophobicContact CE1-CD 4.38Å; F440-K450 HydrophobicContact CZ-CD 4.42Å; K450-Y452 HydrophobicContact CB-CD2 4.38Å; K450-Y452 HydrophobicContact CB-CE2 3.77Å; K450-Y452 HydrophobicContact CD-CE1 4.44Å; K450-Y452 HydrophobicContact CD-CE2 4.07Å; K450-Y452 HydrophobicContact CG-CD2 4.32Å; K450-Y452 HydrophobicContact CG-CE2 3.77Å
451	V	89.9	Confident	90.3	Very high	27 Å²	27	36 Å²	36	16%	0.164	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.9	178.8	-176	0	0	0	0	109	F79 N83	F79-V451 HydrophobicContact CD2-CG2 3.75Å; F79-V451 HydrophobicContact CE2-CG2 3.77Å; N83-V451 PolarHBondContact O-N 3.06Å
452	Y	89	Confident	90.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124	179.3	-72.4	-86.2	0	0	0	110.5	I236 V242 T245 L246 S435 L436 I438 F440 K450	I236-Y452 HydrophobicContact CG2-CD1 3.51Å; I236-Y452 HydrophobicContact CG2-CE1 3.94Å; I236-Y452 HydrophobicContact CG2-CG 4.41Å; V242-Y452 HydrophobicContact CB-CD1 4.32Å; V242-Y452 HydrophobicContact CG1-CD1 3.64Å; V242-Y452 HydrophobicContact CG1-CE1 4.17Å; V242-Y452 HydrophobicContact CG1-CG 4.38Å; V242-Y452 HydrophobicContact CG2-CD1 4.21Å; T245-Y452 HydrophobicContact CG2-CE1 4.2Å; L246-Y452 HydrophobicContact CD1-CE1 4.26Å; L246-Y452 HydrophobicContact CD2-CE1 4.1Å; L246-Y452 HydrophobicContact CD2-CE2 3.76Å; L246-Y452 VanDerWaalsContact CD2-CZ 3.45Å; L246-Y452 WeakPolarHBondContact CD2-OH 3.4Å; L246-Y452 HydrophobicContact CG-CE1 4.02Å; S435-Y452 CarbonylContact C-O 3.57Å; S435-Y452 WeakPolarHBondContact CA-O 3.43Å; S435-Y452 WeakPolarHBondContact CB-O 3.37Å; L436-Y452 PolarHBondContact N-O 3.49Å; L436-Y452 PolarHBondContact O-N 2.78Å; I438-Y452 HydrophobicContact CB-CD2 4.26Å; I438-Y452 HydrophobicContact CB-CE2 4.27Å; I438-Y452 HydrophobicContact CD1-CD2 3.69Å; I438-Y452 HydrophobicContact CD1-CE2 4.06Å; I438-Y452 HydrophobicContact CG1-CD2 4Å; I438-Y452 HydrophobicContact CG1-CE2 4.43Å; F440-Y452 HydrophobicContact CE1-CE2 4.41Å; K450-Y452 HydrophobicContact CB-CD2 4.38Å; K450-Y452 HydrophobicContact CB-CE2 3.77Å; K450-Y452 HydrophobicContact CD-CE1 4.44Å; K450-Y452 HydrophobicContact CD-CE2 4.07Å; K450-Y452 HydrophobicContact CG-CD2 4.32Å; K450-Y452 HydrophobicContact CG-CE2 3.77Å
453	P	87.6	Confident	90.8	Very high	39 Å²	39	37 Å²	37	25%	0.253	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	159.9	175.1	33	-33.5	0	0	0	111	I236 M455	I236-P453 HydrophobicContact CG2-CG 4.16Å; I236-P453 WeakPolarHBondContact O-CG 3.42Å; P453-M455 VanDerWaalsContact C-N 3.34Å; P453-M455 PolarHBondContact O-N 3.46Å
454	N	88.3	Confident	91.1	Very high	92 Å²	92	34 Å²	34	49%	0.492	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	37.2	169.6	-53.5	-32.4	0	0	0	115.4	M433	M433-N454 HydrophobicContact CB-CB 4.32Å; M433-N454 HydrophobicContact CE-CB 3.75Å; M433-N454 HydrophobicContact SD-CB 3.86Å
455	M	89.7	Confident	91.6	Very high	36 Å²	36	31.8 Å²	31.8	18%	0.177	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-33	-177.1	-70.5	-64.5	-68.2	0	0	113	V242 F385 S434 L436 P453	V242-M455 HydrophobicContact CG1-SD 3.82Å; F385-M455 HydrophobicContact CE1-CE 4.33Å; F385-M455 HydrophobicContact CE2-CB 4.42Å; F385-M455 HydrophobicContact CE2-CE 4.32Å; F385-M455 HydrophobicContact CZ-CE 3.78Å; S434-M455 PolarHBondContact O-N 3.26Å; L436-M455 HydrophobicContact CB-CB 3.65Å; L436-M455 HydrophobicContact CB-CG 3.89Å; L436-M455 HydrophobicContact CD2-CE 4.22Å; P453-M455 VanDerWaalsContact C-N 3.34Å; P453-M455 PolarHBondContact O-N 3.46Å
456	T	92.8	Very high	91.9	Very high	20 Å²	20	26 Å²	26	12%	0.123	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.2	-175.4	-67.1	0	0	0	0	110.5	D386 A387 F388 M433 S434	D386-T456 VanDerWaalsContact O-CG2 3.27Å; D386-T456 WeakPolarHBondContact O-CG2 2.78Å; D386-T456 PolarHBondContact O-OG1 3.42Å; A387-T456 WeakPolarHBondContact O-CA 3.48Å; F388-T456 HydrophobicContact CD2-CG2 3.9Å; F388-T456 HydrophobicContact CE2-CG2 4.24Å; M433-T456 CarbonylContact C-O 3.58Å; M433-T456 WeakPolarHBondContact CA-O 3.41Å; M433-T456 WeakPolarHBondContact CB-O 3.49Å; S434-T456 PolarHBondContact N-O 3.13Å; S434-T456 PolarHBondContact O-N 3.02Å; S434-T456 VanDerWaalsContact O-N 3.14Å; S434-T456 WeakPolarHBondContact OG-CB 3.37Å; S434-T456 PolarHBondContact OG-O 3.49Å
457	V	95.5	Very high	92.1	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.9	177.8	-179.2	0	0	0	0	110.5	R363 A387 F388 P430	R363-V457 WeakPolarHBondContact CD-O 3.39Å; R363-V457 HydrophobicContact CG-CG1 4.22Å; R363-V457 PolarHBondContact NH1-O 3.12Å; A387-V457 PolarHBondContact O-N 2.88Å; F388-V457 HydrophobicContact CB-CB 4.07Å; P430-V457 HydrophobicContact CB-CG1 4.09Å; P430-V457 HydrophobicContact CB-CG2 4.1Å; P430-V457 HydrophobicContact CG-CG1 4.39Å; P430-V457 HydrophobicContact CG-CG2 3.84Å
458	D	94.3	Very high	92.1	Very high	74 Å²	74	27.9 Å²	27.9	40%	0.396	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-42.9	176.2	-62.2	-29.7	0	0	0	111.7	K432 S434	K432-D458 HydrophobicContact CB-CB 4.1Å; K432-D458 PolarHBondContact O-N 3.45Å; S434-D458 WeakPolarHBondContact CB-OD2 3.29Å; S434-D458 PolarHBondContact N-OD2 3.3Å; S434-D458 PolarHBondContact OG-OD1 2.84Å; S434-D458 PolarHBondContact OG-OD2 2.87Å
459	S	94.4	Very high	92	Very high	29 Å²	29	29.8 Å²	29.8	20%	0.203	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.3	176.8	69.8	0	0	0	0	112.8	E431 K432	E431-S459 PolarHBondContact N-O 2.91Å; E431-S459 PolarHBondContact OE2-OG 3.2Å; E431-S459 VanDerWaalsContact OE2-OG 3.12Å; K432-S459 WeakPolarHBondContact CB-OG 3.5Å; K432-S459 PolarHBondContact N-O 3.49Å; K432-S459 PolarHBondContact N-OG 3.42Å; K432-S459 PolarHBondContact O-N 3.49Å
460	C	94.9	Very high	92	Very high	15 Å²	15	31.9 Å²	31.9	10%	0.101	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.5	177.9	-57.4	0	0	0	0	110.9	R363 C390 V429	R363-C460 VanDerWaalsContact CA-SG 3.52Å; R363-C460 PolarHBondContact N-SG 2.89Å; R363-C460 VanDerWaalsContact N-SG 3.42Å; C390-C460 WeakPolarHBondContact CA-SG 3.41Å; C390-C460 HydrophobicContact CB-CB 3.86Å; C390-C460 WeakPolarHBondContact CB-SG 3.34Å; C390-C460 WeakPolarHBondContact SG-CB 3.41Å; C390-C460 CovalentContact SG-SG 2.04Å; C390-C460 PolarHBondContact SG-SG 2.87Å; V429-C460 CarbonylContact O-C 3.47Å; V429-C460 VanDerWaalsContact O-CA 3.31Å; V429-C460 WeakPolarHBondContact O-CA 3.04Å
461	A	94.3	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.1	174.5	0	0	0	0	0	111.6	L402 K403 V429 E431	L402-A461 VanDerWaalsContact O-CA 3.26Å; L402-A461 WeakPolarHBondContact O-CA 3.39Å; L402-A461 WeakPolarHBondContact O-CB 3.49Å; K403-A461 HydrophobicContact CB-CB 4.35Å; V429-A461 PolarHBondContact N-O 3.31Å; V429-A461 PolarHBondContact O-N 3.42Å; E431-A461 HydrophobicContact CB-CB 3.91Å; E431-A461 HydrophobicContact CG-CB 4.26Å
462	C	93.6	Very high	92.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.6	171.5	-66.1	0	0	0	0	109.8	C394 M398 L402 P404 S405 P426 C427	C394-C462 HydrophobicContact CB-CB 3.83Å; C394-C462 WeakPolarHBondContact CB-SG 3.18Å; C394-C462 WeakPolarHBondContact SG-CB 3.4Å; C394-C462 CovalentContact SG-SG 2.04Å; C394-C462 PolarHBondContact SG-SG 3.33Å; M398-C462 HydrophobicContact SD-CB 3.94Å; L402-C462 PolarHBondContact O-N 3.4Å; P404-C462 WeakPolarHBondContact CA-O 3.33Å; P404-C462 HydrophobicContact CB-CB 4.44Å; S405-C462 PolarHBondContact N-O 3.4Å; P426-C462 HydrophobicContact CB-CB 4.4Å; C427-C462 WeakPolarHBondContact O-CA 3.4Å
463	R	93.8	Very high	92.6	Very high	100 Å²	100	37.9 Å²	37.9	38%	0.377	20%	0.2	S	C	.	.			trans	-123.4	0	-177	-65.8	-62.4	-179.1	82.5	-0.7	113.7	S405 C427 V429	S405-R463 PolarHBondContact OG-OXT 3.48Å; C427-R463 PolarHBondContact N-O 3.38Å; C427-R463 VanDerWaalsContact N-O 3.11Å; C427-R463 PolarHBondContact O-N 3.31Å; V429-R463 HydrophobicContact CG2-CB 3.74Å; V429-R463 HydrophobicContact CG2-CG 3.44Å; V429-R463 VanDerWaalsContact CG2-CG 3.44Å

Retrieved 463 of 463 residues in 454.6 ms (Link to these results)

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