A0A5K4FAQ9_SCHMA Loading...

Chymotrypsin

AlphaFold DB , UniProt , Accession A0A5K4FAQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 421 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	36.3	Very low	40.8	Very low	234 Å²	234	153.4 Å²	153.4	100%	1.153	71%	0.713	S	S	*	*				0	81.8	0	-83.7	172.2	177.9	0	0	108
2	D	36.8	Very low	41.7	Very low	126 Å²	126	147.1 Å²	147.1	67%	0.674	69%	0.687	S	S	*	*			trans	33.4	123.3	145	-51.5	-23.5	0	0	0	120.8	Y4	D2-Y4 HydrophobicContact CB-CD2 4.17Å; D2-Y4 PolarHBondContact O-N 3.17Å
3	M	36.6	Very low	42.2	Very low	173 Å²	173	144 Å²	144	85%	0.852	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.7	0.9	166.2	-148.6	166.1	67.4	0	0	115.9
4	Y	36.7	Very low	42.7	Very low	188 Å²	188	142.1 Å²	142.1	74%	0.737	67%	0.674	S	S	*	*	H	α-helix	trans	-74.6	-21.8	177.7	-89.1	-81.7	0	0	0	113.8	D2	D2-Y4 HydrophobicContact CB-CD2 4.17Å; D2-Y4 PolarHBondContact O-N 3.17Å
5	T	41.8	Very low	43	Very low	107 Å²	107	140.6 Å²	140.6	66%	0.656	66%	0.664	S	S	*	*	H	α-helix	trans	-79.6	-22.2	-179.6	49.3	0	0	0	0	113.8
6	W	38.9	Very low	43.4	Very low	195 Å²	195	137.7 Å²	137.7	74%	0.739	65%	0.653	S	S	*	*	H	α-helix	trans	-82.9	-28.6	-178.9	-151.4	78.1	0	0	0	113.3	H8	W6-H8 VanDerWaalsContact C-N 3.34Å
7	Q	41	Very low	43.7	Very low	146 Å²	146	134.2 Å²	134.2	68%	0.682	64%	0.643	S	S	*	*	H	α-helix	trans	-75.9	-21.3	172.6	-74.2	-161.3	-33.8	0	0	113.2	M11	Q7-M11 PolarHBondContact O-N 3.23Å
8	H	44.3	Very low	44	Very low	120 Å²	120	130.7 Å²	130.7	56%	0.556	63%	0.631	S	S	*	*	H	α-helix	trans	-74.5	-34.5	-175.7	-140	-1.3	0	0	0	113.2	W6 M11 I12	W6-H8 VanDerWaalsContact C-N 3.34Å; H8-M11 PolarHBondContact O-N 3.34Å; H8-I12 WeakPolarHBondContact O-CG1 3.48Å; H8-I12 PolarHBondContact O-N 3.21Å; H8-I12 VanDerWaalsContact O-N 3.08Å
9	N	43.8	Very low	44.1	Very low	109 Å²	109	128.2 Å²	128.2	58%	0.583	62%	0.62	S	S	*	*	H	α-helix	trans	-70.6	-33.6	-178.9	-74.8	-12.5	0	0	0	113.3	I12 D13	N9-I12 PolarHBondContact O-N 3.49Å; N9-D13 PolarHBondContact O-N 3.16Å; N9-D13 VanDerWaalsContact O-N 3.1Å
10	R	44.9	Very low	44.1	Very low	180 Å²	180	125.4 Å²	125.4	68%	0.679	61%	0.611	S	S	*	*	H	α-helix	trans	-73.1	-30.8	174	-83.4	-167.2	174.9	-163.4	-1	113.4	L14	R10-L14 PolarHBondContact O-N 3.26Å
11	M	47.3	Very low	43.9	Very low	109 Å²	109	126.7 Å²	126.7	54%	0.537	61%	0.614	S	S	.	*	H	α-helix	trans	-67	-41.5	172.3	-84.5	-89	-76	0	0	110.8	Q7 H8 L14 F15	Q7-M11 PolarHBondContact O-N 3.23Å; H8-M11 PolarHBondContact O-N 3.34Å; M11-L14 PolarHBondContact O-N 3.16Å; M11-F15 HydrophobicContact CE-CE2 3.93Å; M11-F15 WeakPolarHBondContact O-CB 2.82Å; M11-F15 VanDerWaalsContact O-CD2 3.29Å; M11-F15 WeakPolarHBondContact O-CD2 3.43Å; M11-F15 PolarHBondContact O-N 3.5Å; M11-F15 HydrophobicContact SD-CE2 4.24Å
12	I	51.9	Low	44.1	Very low	78 Å²	78	119.9 Å²	119.9	40%	0.4	58%	0.581	S	S	.	*	H	α-helix	trans	-67	-40.1	178.8	-65.1	165.4	0	0	0	111.1	H8 N9 F15 I16	H8-I12 WeakPolarHBondContact O-CG1 3.48Å; H8-I12 PolarHBondContact O-N 3.21Å; H8-I12 VanDerWaalsContact O-N 3.08Å; N9-I12 PolarHBondContact O-N 3.49Å; I12-F15 PolarHBondContact O-N 3.03Å; I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.28Å; I12-I16 WeakPolarHBondContact O-CB 3.34Å; I12-I16 VanDerWaalsContact O-CG1 3.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.45Å; I12-I16 PolarHBondContact O-N 3.07Å
13	D	49	Very low	44	Very low	107 Å²	107	119 Å²	119	57%	0.572	58%	0.576	S	S	*	*	H	α-helix	trans	-65.4	-40.2	174.8	-81	-23	0	0	0	112.3	N9 T17	N9-D13 PolarHBondContact O-N 3.16Å; N9-D13 VanDerWaalsContact O-N 3.1Å; D13-T17 WeakPolarHBondContact O-CB 3.48Å; D13-T17 PolarHBondContact O-N 3.46Å; D13-T17 PolarHBondContact O-OG1 3.45Å
14	L	49.2	Very low	44.2	Very low	118 Å²	118	116.8 Å²	116.8	62%	0.618	57%	0.567	S	S	*	*	H	α-helix	trans	-65.4	-40.9	173.4	-110	107.3	0	0	0	111.9	R10 M11 T17 V18	R10-L14 PolarHBondContact O-N 3.26Å; M11-L14 PolarHBondContact O-N 3.16Å; L14-T17 PolarHBondContact O-N 3.22Å; L14-V18 VanDerWaalsContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CB 2.99Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.09Å
15	F	46.5	Very low	44.6	Very low	119 Å²	119	111.8 Å²	111.8	52%	0.522	56%	0.558	S	S	.	*	H	α-helix	trans	-67.2	-39.9	178.1	-96.3	-88.7	0	0	0	111.8	M11 I12 I19	M11-F15 HydrophobicContact CE-CE2 3.93Å; M11-F15 WeakPolarHBondContact O-CB 2.82Å; M11-F15 VanDerWaalsContact O-CD2 3.29Å; M11-F15 WeakPolarHBondContact O-CD2 3.43Å; M11-F15 PolarHBondContact O-N 3.5Å; M11-F15 HydrophobicContact SD-CE2 4.24Å; I12-F15 PolarHBondContact O-N 3.03Å; F15-I19 HydrophobicContact CD1-CD1 4.45Å; F15-I19 WeakPolarHBondContact O-CB 3.4Å; F15-I19 WeakPolarHBondContact O-CD1 3.43Å; F15-I19 WeakPolarHBondContact O-CG1 3.45Å; F15-I19 PolarHBondContact O-N 2.82Å
16	I	48.9	Very low	44.1	Very low	94 Å²	94	111.9 Å²	111.9	48%	0.482	56%	0.555	S	S	.	*	H	α-helix	trans	-67.6	-39.6	174.9	-66.4	169.9	0	0	0	110.1	I12 I19 V20	I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.28Å; I12-I16 WeakPolarHBondContact O-CB 3.34Å; I12-I16 VanDerWaalsContact O-CG1 3.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.45Å; I12-I16 PolarHBondContact O-N 3.07Å; I16-I19 PolarHBondContact O-N 3.03Å; I16-V20 HydrophobicContact CG2-CG2 4.25Å; I16-V20 WeakPolarHBondContact O-CB 3.25Å; I16-V20 WeakPolarHBondContact O-CG2 3.32Å; I16-V20 PolarHBondContact O-N 3.33Å
17	T	49.9	Very low	43.9	Very low	79 Å²	79	113.1 Å²	113.1	49%	0.485	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-42.8	177.8	-46.8	0	0	0	0	111.4	D13 L14 V20 F21	D13-T17 WeakPolarHBondContact O-CB 3.48Å; D13-T17 PolarHBondContact O-N 3.46Å; D13-T17 PolarHBondContact O-OG1 3.45Å; L14-T17 PolarHBondContact O-N 3.22Å; T17-V20 PolarHBondContact O-N 3.09Å; T17-F21 HydrophobicContact CG2-CD2 4.26Å; T17-F21 HydrophobicContact CG2-CE2 4.48Å; T17-F21 WeakPolarHBondContact O-CB 3.2Å; T17-F21 WeakPolarHBondContact O-CD2 3.47Å; T17-F21 PolarHBondContact O-N 3.18Å
18	V	48.2	Very low	43.7	Very low	71 Å²	71	111 Å²	111	43%	0.43	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-39.3	175.9	171.6	0	0	0	0	111.2	L14 F21 I22	L14-V18 VanDerWaalsContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CB 2.99Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.09Å; V18-F21 PolarHBondContact O-N 3.11Å; V18-I22 HydrophobicContact CG1-CD1 3.59Å; V18-I22 HydrophobicContact CG1-CG1 4.28Å; V18-I22 WeakPolarHBondContact O-CB 3.37Å; V18-I22 WeakPolarHBondContact O-CG1 3.19Å; V18-I22 PolarHBondContact O-N 3.15Å
19	I	46	Very low	43.1	Very low	82 Å²	82	115 Å²	115	42%	0.421	57%	0.571	S	S	.	*	H	α-helix	trans	-69	-36.7	175.3	-71.2	167.2	0	0	0	110.8	F15 I16 I22 L23	F15-I19 HydrophobicContact CD1-CD1 4.45Å; F15-I19 WeakPolarHBondContact O-CB 3.4Å; F15-I19 WeakPolarHBondContact O-CD1 3.43Å; F15-I19 WeakPolarHBondContact O-CG1 3.45Å; F15-I19 PolarHBondContact O-N 2.82Å; I16-I19 PolarHBondContact O-N 3.03Å; I19-I22 PolarHBondContact O-N 3.08Å; I19-L23 HydrophobicContact CG2-CD1 3.45Å; I19-L23 VanDerWaalsContact CG2-CD1 3.45Å; I19-L23 HydrophobicContact CG2-CG 3.92Å; I19-L23 WeakPolarHBondContact O-CB 3.4Å; I19-L23 WeakPolarHBondContact O-CG 2.96Å; I19-L23 PolarHBondContact O-N 3.18Å
20	V	43.8	Very low	42.4	Very low	72 Å²	72	118.1 Å²	118.1	44%	0.436	58%	0.582	S	S	.	*	H	α-helix	trans	-66.2	-40.8	172.5	170.1	0	0	0	0	110.2	I16 T17 L23 L24	I16-V20 HydrophobicContact CG2-CG2 4.25Å; I16-V20 WeakPolarHBondContact O-CB 3.25Å; I16-V20 WeakPolarHBondContact O-CG2 3.32Å; I16-V20 PolarHBondContact O-N 3.33Å; T17-V20 PolarHBondContact O-N 3.09Å; V20-L23 PolarHBondContact O-N 3.01Å; V20-L24 HydrophobicContact CG1-CD1 3.71Å; V20-L24 HydrophobicContact CG1-CG 4.23Å; V20-L24 VanDerWaalsContact O-CB 3.25Å; V20-L24 WeakPolarHBondContact O-CB 3.49Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 3Å
21	F	40.2	Very low	41.8	Very low	154 Å²	154	116.8 Å²	116.8	68%	0.675	59%	0.585	S	S	*	*	H	α-helix	trans	-63.6	-40.9	172.9	-98.8	-88.5	0	0	0	112.5	T17 V18 C25	T17-F21 HydrophobicContact CG2-CD2 4.26Å; T17-F21 HydrophobicContact CG2-CE2 4.48Å; T17-F21 WeakPolarHBondContact O-CB 3.2Å; T17-F21 WeakPolarHBondContact O-CD2 3.47Å; T17-F21 PolarHBondContact O-N 3.18Å; V18-F21 PolarHBondContact O-N 3.11Å; F21-C25 VanDerWaalsContact O-CB 3.25Å; F21-C25 WeakPolarHBondContact O-CB 3.06Å; F21-C25 PolarHBondContact O-N 3.08Å
22	I	39.5	Very low	40.9	Very low	91 Å²	91	119.6 Å²	119.6	47%	0.467	60%	0.603	S	S	.	*	H	α-helix	trans	-73	-36.9	178.2	-67.8	168.5	0	0	0	111.5	V18 I19 C25 N26	V18-I22 HydrophobicContact CG1-CD1 3.59Å; V18-I22 HydrophobicContact CG1-CG1 4.28Å; V18-I22 WeakPolarHBondContact O-CB 3.37Å; V18-I22 WeakPolarHBondContact O-CG1 3.19Å; V18-I22 PolarHBondContact O-N 3.15Å; I19-I22 PolarHBondContact O-N 3.08Å; I22-C25 PolarHBondContact O-N 3.01Å; I22-N26 PolarHBondContact O-N 3.02Å
23	L	36.6	Very low	40.1	Very low	108 Å²	108	123.4 Å²	123.4	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-76.5	-30.8	178.6	-72.2	174.7	0	0	0	112.6	I19 V20 C25	I19-L23 HydrophobicContact CG2-CD1 3.45Å; I19-L23 VanDerWaalsContact CG2-CD1 3.45Å; I19-L23 HydrophobicContact CG2-CG 3.92Å; I19-L23 WeakPolarHBondContact O-CB 3.4Å; I19-L23 WeakPolarHBondContact O-CG 2.96Å; I19-L23 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.01Å; L23-C25 VanDerWaalsContact C-N 3.3Å
24	L	39.7	Very low	39.7	Very low	125 Å²	125	125.1 Å²	125.1	65%	0.654	63%	0.627	S	S	*	*	H	α-helix	trans	-70.4	-30.1	167.6	-68.9	172.7	0	0	0	111.1	V20	V20-L24 HydrophobicContact CG1-CD1 3.71Å; V20-L24 HydrophobicContact CG1-CG 4.23Å; V20-L24 VanDerWaalsContact O-CB 3.25Å; V20-L24 WeakPolarHBondContact O-CB 3.49Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 3Å
25	C	44.7	Very low	39.7	Very low	83 Å²	83	123.7 Å²	123.7	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-75.8	-29.5	175.8	-157.6	0	0	0	0	113.4	F21 I22 L23 R27 C28	F21-C25 VanDerWaalsContact O-CB 3.25Å; F21-C25 WeakPolarHBondContact O-CB 3.06Å; F21-C25 PolarHBondContact O-N 3.08Å; I22-C25 PolarHBondContact O-N 3.01Å; L23-C25 VanDerWaalsContact C-N 3.3Å; C25-R27 PolarHBondContact O-N 3.02Å; C25-C28 WeakPolarHBondContact O-CB 3.1Å; C25-C28 PolarHBondContact O-N 3.19Å; C25-C28 VanDerWaalsContact O-N 3.1Å
26	N	31.6	Very low	40.4	Very low	110 Å²	110	118.4 Å²	118.4	59%	0.588	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-10.9	177.8	-83.9	-18.3	0	0	0	114.6	I22	I22-N26 PolarHBondContact O-N 3.02Å
27	R	34.2	Very low	41.5	Very low	221 Å²	221	115.2 Å²	115.2	83%	0.834	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-8.9	168.6	-85.2	-168.7	177.2	-156	0.3	114	C25 Y29	C25-R27 PolarHBondContact O-N 3.02Å; R27-Y29 VanDerWaalsContact C-N 3.28Å
28	C	36.9	Very low	42.3	Very low	100 Å²	100	116.2 Å²	116.2	68%	0.676	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-78.5	-11.4	170.8	-69.6	0	0	0	0	113	C25 Q30	C25-C28 WeakPolarHBondContact O-CB 3.1Å; C25-C28 PolarHBondContact O-N 3.19Å; C25-C28 VanDerWaalsContact O-N 3.1Å; C28-Q30 PolarHBondContact O-N 3.35Å
29	Y	33.1	Very low	43.6	Very low	206 Å²	206	120.1 Å²	120.1	81%	0.808	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-83.6	13.7	-178	-141.5	-93.9	0	0	0	114.8	R27	R27-Y29 VanDerWaalsContact C-N 3.28Å
30	Q	28.5	Very low	45.3	Very low	173 Å²	173	119.3 Å²	119.3	81%	0.808	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-129	33.6	177.7	-78.5	-88.1	-53.3	0	0	112.3	C28	C28-Q30 PolarHBondContact O-N 3.35Å
31	M	31	Very low	47.4	Very low	153 Å²	153	119.6 Å²	119.6	75%	0.754	61%	0.608	S	S	*	*			trans	-111.8	81.5	155.8	-71.7	-132.4	169.1	0	0	109	E33	M31-E33 PolarHBondContact O-N 2.84Å
32	N	29.8	Very low	49.8	Very low	168 Å²	168	116.4 Å²	116.4	90%	0.898	60%	0.6	S	S	*	*			trans	-75	43.3	161.8	-98.8	-9.5	0	0	0	110.5
33	E	34.4	Very low	52.2	Low	157 Å²	157	114.3 Å²	114.3	73%	0.734	59%	0.587	S	S	*	*	S	Bend	trans	-93.8	109.1	161.3	-75.8	-167.9	170	0	0	106.1	M31 S35	M31-E33 PolarHBondContact O-N 2.84Å; E33-S35 PolarHBondContact O-N 3.09Å
34	L	41.5	Very low	54.7	Low	144 Å²	144	113.7 Å²	113.7	75%	0.754	59%	0.591	S	S	*	*			trans	-1.2	89.3	168	-102.6	83.3	0	0	0	113	S36	L34-S36 PolarHBondContact O-N 2.8Å
35	S	49.3	Very low	57.1	Low	87 Å²	87	113 Å²	113	61%	0.608	59%	0.589	S	S	*	*			trans	-60.1	103.4	174.8	55.8	0	0	0	0	107.3	E33 C37	E33-S35 PolarHBondContact O-N 3.09Å; S35-C37 PolarHBondContact O-N 2.9Å
36	S	60.8	Low	59.3	Low	9 Å²	9	115.7 Å²	115.7	6%	0.063	59%	0.591	C	S	.	*	S	Bend	trans	-63	-18.7	-168.4	-159.1	0	0	0	0	112.8	L34 R41 H53 T54	L34-S36 PolarHBondContact O-N 2.8Å; S36-R41 PolarHBondContact O-NH2 2.92Å; S36-H53 WeakPolarHBondContact OG-CB 3.26Å; S36-T54 WeakPolarHBondContact O-CG2 3.38Å; S36-T54 PolarHBondContact OG-N 2.8Å; S36-T54 PolarHBondContact OG-OG1 3.21Å
37	C	71.6	Confident	62.4	Low	27 Å²	27	114.1 Å²	114.1	18%	0.182	59%	0.588	C	S	.	*			trans	-142.8	86.4	-176.5	-57.2	0	0	0	0	109.9	S35 C67	S35-C37 PolarHBondContact O-N 2.9Å; C37-C67 HydrophobicContact CB-CB 3.58Å; C37-C67 WeakPolarHBondContact CB-SG 3.27Å; C37-C67 WeakPolarHBondContact SG-CB 3.22Å; C37-C67 CovalentContact SG-SG 2.01Å; C37-C67 PolarHBondContact SG-SG 3.34Å
38	S	66.3	Low	65.3	Low	100 Å²	100	104.6 Å²	104.6	70%	0.699	56%	0.559	S	S	*	*			trans	-95.1	-29.9	-178.9	50.2	0	0	0	0	114
39	E	77	Confident	68.1	Low	153 Å²	153	104.9 Å²	104.9	72%	0.715	55%	0.553	S	S	*	*	S	Bend	trans	-135.9	151.1	179	-68.5	-172.9	177	0	0	111.1	R41	E39-R41 PolarHBondContact O-N 2.75Å
40	P	80.7	Confident	71.2	Confident	64 Å²	64	95 Å²	95	42%	0.416	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-56.7	125.7	171.6	-23.1	33.3	0	0	0	111.1	E68	P40-E68 CarbonylContact C-O 3.49Å; P40-E68 WeakPolarHBondContact CA-O 3.47Å; P40-E68 HydrophobicContact CB-CB 3.96Å; P40-E68 HydrophobicContact CG-CB 4.19Å
41	R	88.5	Confident	74.3	Confident	79 Å²	79	91.5 Å²	91.5	30%	0.298	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.1	179.4	-65.9	-174.9	-173	163.6	9	110.4	S36 E39 Y43 T54 E68 Y69 L70	S36-R41 PolarHBondContact O-NH2 2.92Å; E39-R41 PolarHBondContact O-N 2.75Å; R41-Y43 HydrophobicContact CB-CE2 3.73Å; R41-Y43 WeakPolarHBondContact O-CD2 3.49Å; R41-T54 VanDerWaalsContact NH2-CG2 3.28Å; R41-E68 PolarHBondContact N-O 3.29Å; R41-Y69 HydrophobicContact CB-CD1 3.96Å; R41-Y69 HydrophobicContact CG-CD1 4.47Å; R41-Y69 CarbonylContact O-C 3.58Å; R41-Y69 VanDerWaalsContact O-CA 3.29Å; R41-Y69 WeakPolarHBondContact O-CA 3.41Å; R41-L70 PolarHBondContact O-N 3.46Å
42	V	89.3	Confident	77.2	Confident	87 Å²	87	84.2 Å²	84.2	53%	0.527	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.8	179.9	-174	0	0	0	0	110.6	L70 K72	V42-L70 CarbonylContact C-O 3.55Å; V42-L70 WeakPolarHBondContact CA-O 3.38Å; V42-L70 HydrophobicContact CG2-CB 4.46Å; V42-K72 HydrophobicContact CG1-CD 4.08Å; V42-K72 HydrophobicContact CG1-CG 4.26Å
43	Y	91.1	Very high	79.9	Confident	47 Å²	47	76.5 Å²	76.5	18%	0.184	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.1	179.2	-66.6	-99.5	0	0	0	109.6	R41 I50 Y69 L70 I71 K72 Y148	R41-Y43 HydrophobicContact CB-CE2 3.73Å; R41-Y43 WeakPolarHBondContact O-CD2 3.49Å; Y43-I50 HydrophobicContact CD1-CG1 4.3Å; Y43-I50 HydrophobicContact CD2-CD1 3.86Å; Y43-I50 HydrophobicContact CD2-CG1 4.31Å; Y43-I50 HydrophobicContact CE1-CD1 4.49Å; Y43-I50 HydrophobicContact CE1-CG1 3.93Å; Y43-I50 HydrophobicContact CE2-CD1 3.87Å; Y43-I50 HydrophobicContact CE2-CG1 3.97Å; Y43-I50 HydrophobicContact CG-CD1 4.21Å; Y43-I50 HydrophobicContact CG-CG1 4.48Å; Y43-Y69 AromaticContact CE2-CD1 3.97Å; Y43-Y69 HydrophobicContact CE2-CD1 3.97Å; Y43-L70 PolarHBondContact N-O 3.24Å; Y43-I71 CarbonylContact O-C 3.58Å; Y43-I71 WeakPolarHBondContact O-CA 3.42Å; Y43-K72 PolarHBondContact O-N 3.21Å; Y43-Y148 HydrophobicContact CD1-CE1 4.12Å; Y43-Y148 HydrophobicContact CG-CE1 4.24Å
44	S	89.1	Confident	82.3	Confident	94 Å²	94	72.6 Å²	72.6	66%	0.657	41%	0.406	S	S	*	.			trans	-113.8	-3.6	-179.4	51.8	0	0	0	0	114	K72	S44-K72 WeakPolarHBondContact CA-O 3.38Å
45	N	90.2	Very high	84.4	Confident	112 Å²	112	69.3 Å²	69.3	60%	0.599	39%	0.387	S	S	*	.	S	Bend	trans	-70.5	151.4	178.1	-68.6	-29.1	0	0	0	111	S47 Y148	N45-S47 WeakPolarHBondContact CB-O 3.44Å; N45-S47 PolarHBondContact O-N 2.89Å; N45-S47 VanDerWaalsContact O-N 3.12Å; N45-Y148 WeakPolarHBondContact O-CE2 3.3Å; N45-Y148 PolarHBondContact O-OH 3.46Å
46	K	90.3	Very high	86.4	Confident	138 Å²	138	66.6 Å²	66.6	60%	0.6	36%	0.364	S	S	*	.	S	Bend	trans	-58.2	-25.7	177.4	-70.5	-168.1	176.2	-166.5	0	114.2	E149 T150	K46-E149 CarbonylContact O-C 3.57Å; K46-E149 WeakPolarHBondContact O-CA 3.45Å; K46-T150 VanDerWaalsContact CA-OG1 3.28Å; K46-T150 WeakPolarHBondContact CA-OG1 3.48Å; K46-T150 PolarHBondContact O-N 3.47Å; K46-T150 PolarHBondContact O-OG1 2.57Å; K46-T150 VanDerWaalsContact O-OG1 3.1Å
47	S	95.9	Very high	87.7	Confident	77 Å²	77	69.4 Å²	69.4	54%	0.538	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.1	170.8	59.5	0	0	0	0	109.3	N45 Y148	N45-S47 WeakPolarHBondContact CB-O 3.44Å; N45-S47 PolarHBondContact O-N 2.89Å; N45-S47 VanDerWaalsContact O-N 3.12Å; S47-Y148 WeakPolarHBondContact CA-O 3.35Å; S47-Y148 WeakPolarHBondContact CB-O 3.13Å
48	G	95.7	Very high	88.6	Confident	21 Å²	21	74.9 Å²	74.9	22%	0.216	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	167.6	180	0	0	0	0	0	113.2	H147 Y148	G48-H147 CarbonylContact O-C 3.45Å; G48-H147 VanDerWaalsContact O-CA 3.25Å; G48-H147 WeakPolarHBondContact O-CA 3.28Å; G48-Y148 PolarHBondContact N-O 2.96Å; G48-Y148 VanDerWaalsContact N-O 3.11Å; G48-Y148 WeakPolarHBondContact O-CD1 3.39Å; G48-Y148 PolarHBondContact O-N 3.1Å
49	L	96.9	Very high	89.7	Confident	106 Å²	106	75.5 Å²	75.5	56%	0.555	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	131	176.4	-76.8	163.2	0	0	0	109.1	L145 L146 H147	L49-L145 HydrophobicContact CD2-CD1 4.27Å; L49-L146 WeakPolarHBondContact CA-O 3.38Å; L49-H147 HydrophobicContact CD2-CB 3.59Å; L49-H147 HydrophobicContact CG-CB 4.38Å
50	I	96.4	Very high	90.5	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.4	177.6	-54.5	-177.7	0	0	0	108.5	Y43 Y69 I71 I131 F144 L146 Y148	Y43-I50 HydrophobicContact CD1-CG1 4.3Å; Y43-I50 HydrophobicContact CD2-CD1 3.86Å; Y43-I50 HydrophobicContact CD2-CG1 4.31Å; Y43-I50 HydrophobicContact CE1-CD1 4.49Å; Y43-I50 HydrophobicContact CE1-CG1 3.93Å; Y43-I50 HydrophobicContact CE2-CD1 3.87Å; Y43-I50 HydrophobicContact CE2-CG1 3.97Å; Y43-I50 HydrophobicContact CG-CD1 4.21Å; Y43-I50 HydrophobicContact CG-CG1 4.48Å; I50-Y69 HydrophobicContact CG2-CD1 3.42Å; I50-Y69 VanDerWaalsContact CG2-CD1 3.42Å; I50-Y69 HydrophobicContact CG2-CD2 4.19Å; I50-Y69 HydrophobicContact CG2-CE1 3.67Å; I50-Y69 HydrophobicContact CG2-CE2 4.43Å; I50-Y69 HydrophobicContact CG2-CG 3.7Å; I50-I71 HydrophobicContact CD1-CD1 3.98Å; I50-I71 HydrophobicContact CD1-CG1 3.93Å; I50-I131 HydrophobicContact CD1-CD1 3.81Å; I50-F144 HydrophobicContact CG2-CE2 4.15Å; I50-L146 HydrophobicContact CB-CD1 3.65Å; I50-L146 HydrophobicContact CB-CG 4.03Å; I50-L146 HydrophobicContact CD1-CD1 4.09Å; I50-L146 HydrophobicContact CG1-CD1 4Å; I50-L146 PolarHBondContact N-O 3.02Å; I50-L146 PolarHBondContact O-N 3.37Å; I50-Y148 HydrophobicContact CD1-CD1 4.07Å; I50-Y148 HydrophobicContact CD1-CE1 4.28Å; I50-Y148 HydrophobicContact CG1-CD1 4.27Å; I50-Y148 HydrophobicContact CG1-CE1 4.42Å
51	K	94.5	Very high	91	Very high	99 Å²	99	71.3 Å²	71.3	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.2	-180	-61.9	174.4	-177.7	-176.6	0	109	H53 Y56 Y69 L145	K51-H53 PolarHBondContact O-N 3.11Å; K51-H53 VanDerWaalsContact O-N 3.14Å; K51-Y56 HydrophobicContact CB-CD1 4.37Å; K51-Y56 HydrophobicContact CB-CG 4.13Å; K51-Y56 HydrophobicContact CD-CD1 3.97Å; K51-Y56 HydrophobicContact CD-CG 4.37Å; K51-Y56 HydrophobicContact CG-CD1 4.05Å; K51-Y56 HydrophobicContact CG-CG 4.31Å; K51-Y69 PolarHBondContact O-OH 2.83Å; K51-L145 HydrophobicContact CG-CD1 3.67Å
52	S	92.7	Very high	91	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	-49.7	-35	177.3	49.2	0	0	0	0	116	Y56 Y69 F133 F144	S52-Y56 WeakPolarHBondContact OG-CD2 3.43Å; S52-Y69 PolarHBondContact O-OH 2.84Å; S52-F133 VanDerWaalsContact O-CD1 3.28Å; S52-F133 WeakPolarHBondContact O-CD1 3.13Å; S52-F144 VanDerWaalsContact CA-CZ 3.47Å; S52-F144 VanDerWaalsContact CB-CD1 3.45Å; S52-F144 VanDerWaalsContact CB-CE1 3.42Å; S52-F144 PolarHBondContact N-O 2.97Å; S52-F144 PolarHBondContact OG-N 2.9Å; S52-F144 PolarHBondContact OG-O 3.23Å
53	H	86.4	Confident	90.9	Very high	5 Å²	5	68.7 Å²	68.7	2%	0.023	38%	0.381	C	S	.	.	S	Bend	trans	-160.5	166.7	-176	66	-73.2	0	0	0	110.3	S36 K51 Q55 Y56 M59 L65	S36-H53 WeakPolarHBondContact OG-CB 3.26Å; K51-H53 PolarHBondContact O-N 3.11Å; K51-H53 VanDerWaalsContact O-N 3.14Å; H53-Q55 VanDerWaalsContact C-N 3.32Å; H53-Q55 PolarHBondContact O-N 3.08Å; H53-Y56 PolarHBondContact NE2-N 3.42Å; H53-Y56 WeakPolarHBondContact O-CB 3.49Å; H53-Y56 PolarHBondContact O-N 3.17Å; H53-M59 PolarHBondContact NE2-O 3.11Å; H53-L65 HydrophobicContact CB-CD1 4.4Å
54	T	84.2	Confident	90.5	Very high	76 Å²	76	72.1 Å²	72.1	47%	0.466	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.1	-174.7	50.7	0	0	0	0	114	S36 R41	S36-T54 WeakPolarHBondContact O-CG2 3.38Å; S36-T54 PolarHBondContact OG-N 2.8Å; S36-T54 PolarHBondContact OG-OG1 3.21Å; R41-T54 VanDerWaalsContact NH2-CG2 3.28Å
55	Q	86.2	Confident	90.4	Very high	75 Å²	75	68.5 Å²	68.5	35%	0.35	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	14.8	-179.2	-64.1	-175.1	-44.8	0	0	113.8	H53 G57 I58 M59	H53-Q55 VanDerWaalsContact C-N 3.32Å; H53-Q55 PolarHBondContact O-N 3.08Å; Q55-G57 PolarHBondContact O-N 3.12Å; Q55-I58 WeakPolarHBondContact O-CB 3.21Å; Q55-I58 PolarHBondContact O-N 2.81Å; Q55-M59 PolarHBondContact O-N 3.48Å
56	Y	90.2	Very high	90.3	Very high	29 Å²	29	68.9 Å²	68.9	11%	0.114	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-51.3	128.5	178.7	178.3	-91.3	0	0	0	112	K51 S52 H53 I58 E85 K142 F144 L145	K51-Y56 HydrophobicContact CB-CD1 4.37Å; K51-Y56 HydrophobicContact CB-CG 4.13Å; K51-Y56 HydrophobicContact CD-CD1 3.97Å; K51-Y56 HydrophobicContact CD-CG 4.37Å; K51-Y56 HydrophobicContact CG-CD1 4.05Å; K51-Y56 HydrophobicContact CG-CG 4.31Å; S52-Y56 WeakPolarHBondContact OG-CD2 3.43Å; H53-Y56 PolarHBondContact NE2-N 3.42Å; H53-Y56 WeakPolarHBondContact O-CB 3.49Å; H53-Y56 PolarHBondContact O-N 3.17Å; Y56-I58 VanDerWaalsContact C-N 3.32Å; Y56-E85 WeakPolarHBondContact OH-CB 3.36Å; Y56-E85 VanDerWaalsContact OH-CD 3.22Å; Y56-E85 PolarHBondContact OH-OE2 2.85Å; Y56-K142 WeakPolarHBondContact CD2-O 3.23Å; Y56-K142 WeakPolarHBondContact CE2-O 3.02Å; Y56-F144 WeakPolarHBondContact CE2-O 3.49Å; Y56-L145 HydrophobicContact CE1-CB 3.94Å; Y56-L145 HydrophobicContact CE1-CD1 4.36Å; Y56-L145 HydrophobicContact CE1-CD2 4.39Å; Y56-L145 HydrophobicContact CE1-CG 4.48Å; Y56-L145 HydrophobicContact CE2-CB 4.46Å; Y56-L145 WeakPolarHBondContact OH-CB 3.33Å
57	G	89.1	Confident	90.2	Very high	69 Å²	69	62.4 Å²	62.4	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-9.1	-177.6	0	0	0	0	0	115	Q55	Q55-G57 PolarHBondContact O-N 3.12Å
58	I	89.1	Confident	89.8	Confident	141 Å²	141	61.9 Å²	61.9	72%	0.723	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-45.9	175.9	-54	175.3	0	0	0	109.9	Q55 Y56	Q55-I58 WeakPolarHBondContact O-CB 3.21Å; Q55-I58 PolarHBondContact O-N 2.81Å; Y56-I58 VanDerWaalsContact C-N 3.32Å
59	M	90.9	Very high	89.6	Confident	113 Å²	113	61 Å²	61	56%	0.557	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-131.6	164.5	178.4	-59.3	-171.8	76.5	0	0	110.3	H53 Q55	H53-M59 PolarHBondContact NE2-O 3.11Å; Q55-M59 PolarHBondContact O-N 3.48Å
60	K	92.5	Very high	89.3	Confident	127 Å²	127	56.6 Å²	56.6	55%	0.552	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-68.9	155.9	166.3	-71.2	177	157.5	-151.1	0	109.3	H140 G141	K60-H140 HydrophobicContact CB-CB 4.02Å; K60-H140 HydrophobicContact CD-CB 4.41Å; K60-H140 VanDerWaalsContact CD-O 3.26Å; K60-H140 WeakPolarHBondContact CD-O 3.47Å; K60-H140 WeakPolarHBondContact CE-O 3.25Å; K60-H140 PolarHBondContact NZ-O 3.27Å; K60-G141 VanDerWaalsContact CA-O 3.24Å; K60-G141 WeakPolarHBondContact CA-O 3.3Å; K60-G141 WeakPolarHBondContact CB-O 3.24Å; K60-G141 WeakPolarHBondContact CG-O 3.17Å
61	Y	91.4	Very high	89	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.008	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.4	154.6	175.1	58.4	-100.3	0	0	0	111.1	L88 E89 D97 F133 T135 N139 H140 G141	Y61-L88 HydrophobicContact CD1-CD2 4.25Å; Y61-L88 HydrophobicContact CE1-CD2 3.58Å; Y61-E89 PolarHBondContact OH-N 2.59Å; Y61-D97 VanDerWaalsContact CE2-OD2 3.32Å; Y61-D97 WeakPolarHBondContact CE2-OD2 3.21Å; Y61-D97 PolarHBondContact OH-OD2 2.05Å; Y61-F133 HydrophobicContact CD1-CZ 4.03Å; Y61-F133 HydrophobicContact CD2-CZ 4.28Å; Y61-F133 HydrophobicContact CE1-CZ 4.48Å; Y61-F133 AromaticContact CG-CZ 3.92Å; Y61-F133 HydrophobicContact CG-CZ 3.92Å; Y61-T135 HydrophobicContact CD2-CG2 3.49Å; Y61-T135 VanDerWaalsContact CD2-CG2 3.49Å; Y61-T135 HydrophobicContact CE2-CG2 3.57Å; Y61-T135 HydrophobicContact CG-CG2 4.24Å; Y61-N139 PolarHBondContact OH-O 3.18Å; Y61-H140 HydrophobicContact CD2-CB 4.29Å; Y61-H140 HydrophobicContact CE2-CB 4.18Å; Y61-H140 VanDerWaalsContact O-CB 3.29Å; Y61-H140 WeakPolarHBondContact O-CB 3.07Å; Y61-H140 VanDerWaalsContact O-CG 3.31Å; Y61-G141 WeakPolarHBondContact CD1-O 3.34Å; Y61-G141 VanDerWaalsContact CE1-CA 3.44Å; Y61-G141 VanDerWaalsContact CE1-O 3.28Å; Y61-G141 WeakPolarHBondContact CE1-O 3.26Å; Y61-G141 PolarHBondContact N-O 3.03Å; Y61-G141 VanDerWaalsContact N-O 3.14Å; Y61-G141 PolarHBondContact OH-N 3.14Å
62	T	88.2	Confident	88.5	Confident	65 Å²	65	56.2 Å²	56.2	40%	0.399	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-89.1	165.7	-179.6	56.3	0	0	0	0	111.6	L65 T135	T62-L65 WeakPolarHBondContact O-CG 3.5Å; T62-L65 WeakPolarHBondContact OG1-CD2 3.3Å; T62-L65 WeakPolarHBondContact OG1-CG 2.95Å; T62-T135 PolarHBondContact O-OG1 2.81Å
63	S	87.4	Confident	88	Confident	46 Å²	46	57.3 Å²	57.3	32%	0.322	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	153.4	172	-54.2	0	0	0	0	112.9	L65 D136 D137 H140	S63-L65 VanDerWaalsContact C-N 3.3Å; S63-L65 PolarHBondContact O-N 3.5Å; S63-D136 CarbonylContact C-O 3.51Å; S63-D136 WeakPolarHBondContact CA-O 3.46Å; S63-D136 WeakPolarHBondContact CB-O 3.36Å; S63-D137 PolarHBondContact OG-O 2.87Å; S63-D137 VanDerWaalsContact OG-O 3.06Å; S63-H140 PolarHBondContact OG-CE1 2.62Å; S63-H140 PolarHBondContact OG-NE2 3.4Å
64	N	84	Confident	87.3	Confident	120 Å²	120	58.9 Å²	58.9	64%	0.642	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	37	168.5	-55.8	-65	0	0	0	114.3	T135 D136	N64-T135 WeakPolarHBondContact CA-O 3.4Å; N64-T135 PolarHBondContact N-OG1 3.28Å; N64-D136 PolarHBondContact N-O 3.2Å
65	L	86.5	Confident	86.2	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.094	31%	0.307	C	S	.	.			trans	-79.6	144.1	174.3	-69.4	175.7	0	0	0	110.5	H53 T62 S63 F133 G134 T135	H53-L65 HydrophobicContact CB-CD1 4.4Å; T62-L65 WeakPolarHBondContact O-CG 3.5Å; T62-L65 WeakPolarHBondContact OG1-CD2 3.3Å; T62-L65 WeakPolarHBondContact OG1-CG 2.95Å; S63-L65 VanDerWaalsContact C-N 3.3Å; S63-L65 PolarHBondContact O-N 3.5Å; L65-F133 HydrophobicContact CD1-CE1 4.06Å; L65-G134 CarbonylContact O-C 3.5Å; L65-G134 VanDerWaalsContact O-CA 3.31Å; L65-G134 WeakPolarHBondContact O-CA 3.29Å; L65-T135 HydrophobicContact CB-CG2 4.26Å; L65-T135 WeakPolarHBondContact CB-OG1 3.27Å; L65-T135 PolarHBondContact N-OG1 2.87Å; L65-T135 PolarHBondContact O-N 2.96Å
66	Y	87.2	Confident	84.9	Confident	119 Å²	119	56.2 Å²	56.2	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	101.5	167.1	-170.1	-93.4	0	0	0	108	E68 I132 F133	Y66-E68 HydrophobicContact CD1-CG 4.17Å; Y66-E68 HydrophobicContact CE1-CG 3.65Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.49Å; Y66-I132 HydrophobicContact CD2-CG2 4.39Å; Y66-I132 HydrophobicContact CE1-CG2 4.45Å; Y66-I132 HydrophobicContact CE2-CG2 3.73Å; Y66-F133 CarbonylContact C-O 3.58Å; Y66-F133 WeakPolarHBondContact CA-O 3.42Å
67	C	88.3	Confident	84.3	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.014	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.2	-173.7	-48.8	0	0	0	0	110.2	C37 Y69 I132 F133	C37-C67 HydrophobicContact CB-CB 3.58Å; C37-C67 WeakPolarHBondContact CB-SG 3.27Å; C37-C67 WeakPolarHBondContact SG-CB 3.22Å; C37-C67 CovalentContact SG-SG 2.01Å; C37-C67 PolarHBondContact SG-SG 3.34Å; C67-Y69 HydrophobicContact CB-CE2 3.64Å; C67-Y69 WeakPolarHBondContact CB-OH 3.14Å; C67-I132 WeakPolarHBondContact O-CA 3.34Å; C67-F133 HydrophobicContact CB-CB 4.15Å; C67-F133 HydrophobicContact CB-CD1 4.27Å; C67-F133 PolarHBondContact N-O 3.31Å; C67-F133 PolarHBondContact O-N 3.43Å
68	E	88.1	Confident	83.9	Confident	66 Å²	66	55 Å²	55	31%	0.308	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.8	179.5	-64.6	180	-109.8	0	0	110.5	P40 R41 Y66	P40-E68 CarbonylContact C-O 3.49Å; P40-E68 WeakPolarHBondContact CA-O 3.47Å; P40-E68 HydrophobicContact CB-CB 3.96Å; P40-E68 HydrophobicContact CG-CB 4.19Å; R41-E68 PolarHBondContact N-O 3.29Å; Y66-E68 HydrophobicContact CD1-CG 4.17Å; Y66-E68 HydrophobicContact CE1-CG 3.65Å; Y66-E68 WeakPolarHBondContact CE1-OE1 3.49Å
69	Y	92.3	Very high	84	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.6	175.1	-40.6	-101.7	0	0	0	109.3	R41 Y43 I50 K51 S52 C67 Y130 I131 F133 F144	R41-Y69 HydrophobicContact CB-CD1 3.96Å; R41-Y69 HydrophobicContact CG-CD1 4.47Å; R41-Y69 CarbonylContact O-C 3.58Å; R41-Y69 VanDerWaalsContact O-CA 3.29Å; R41-Y69 WeakPolarHBondContact O-CA 3.41Å; Y43-Y69 AromaticContact CE2-CD1 3.97Å; Y43-Y69 HydrophobicContact CE2-CD1 3.97Å; I50-Y69 HydrophobicContact CG2-CD1 3.42Å; I50-Y69 VanDerWaalsContact CG2-CD1 3.42Å; I50-Y69 HydrophobicContact CG2-CD2 4.19Å; I50-Y69 HydrophobicContact CG2-CE1 3.67Å; I50-Y69 HydrophobicContact CG2-CE2 4.43Å; I50-Y69 HydrophobicContact CG2-CG 3.7Å; K51-Y69 PolarHBondContact O-OH 2.83Å; S52-Y69 PolarHBondContact O-OH 2.84Å; C67-Y69 HydrophobicContact CB-CE2 3.64Å; C67-Y69 WeakPolarHBondContact CB-OH 3.14Å; Y69-Y130 WeakPolarHBondContact O-CA 3.36Å; Y69-I131 HydrophobicContact CD2-CB 4.22Å; Y69-I131 HydrophobicContact CD2-CG2 4.08Å; Y69-I131 WeakPolarHBondContact CD2-O 3.19Å; Y69-I131 PolarHBondContact N-O 2.9Å; Y69-I131 PolarHBondContact O-N 2.93Å; Y69-F133 HydrophobicContact CE2-CB 4.4Å; Y69-F144 HydrophobicContact CE2-CZ 4Å
70	L	89.3	Confident	84.2	Confident	14 Å²	14	43.7 Å²	43.7	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.2	-178.7	175.7	54.6	0	0	0	109.5	R41 V42 Y43 K72 Q128 V129 Y130	R41-L70 PolarHBondContact O-N 3.46Å; V42-L70 CarbonylContact C-O 3.55Å; V42-L70 WeakPolarHBondContact CA-O 3.38Å; V42-L70 HydrophobicContact CG2-CB 4.46Å; Y43-L70 PolarHBondContact N-O 3.24Å; L70-K72 HydrophobicContact CD1-CG 4.42Å; L70-K72 HydrophobicContact CD2-CD 4.4Å; L70-K72 HydrophobicContact CD2-CG 4.3Å; L70-K72 HydrophobicContact CG-CG 3.97Å; L70-Q128 HydrophobicContact CD1-CB 4.31Å; L70-V129 WeakPolarHBondContact CA-O 3.29Å; L70-Y130 HydrophobicContact CD1-CD1 4.09Å; L70-Y130 HydrophobicContact CD1-CD2 3.79Å; L70-Y130 HydrophobicContact CD1-CE1 3.86Å; L70-Y130 HydrophobicContact CD1-CE2 3.49Å; L70-Y130 VanDerWaalsContact CD1-CE2 3.49Å; L70-Y130 HydrophobicContact CD1-CG 4.07Å; L70-Y130 HydrophobicContact CD2-CE1 4.11Å; L70-Y130 HydrophobicContact CG-CE1 4.41Å
71	I	91.2	Very high	84.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.3	170.9	-58.7	163.2	0	0	0	107.6	Y43 I50 I79 I81 Q128 V129 I131 Y148	Y43-I71 CarbonylContact O-C 3.58Å; Y43-I71 WeakPolarHBondContact O-CA 3.42Å; I50-I71 HydrophobicContact CD1-CD1 3.98Å; I50-I71 HydrophobicContact CD1-CG1 3.93Å; I71-I79 HydrophobicContact CB-CD1 4.23Å; I71-I79 HydrophobicContact CD1-CG2 4.27Å; I71-I79 HydrophobicContact CG2-CD1 3.74Å; I71-I79 HydrophobicContact CG2-CG1 4.24Å; I71-I79 HydrophobicContact CG2-CG2 4.23Å; I71-I81 HydrophobicContact CD1-CD1 4.15Å; I71-I81 HydrophobicContact CD1-CG1 4.35Å; I71-Q128 VanDerWaalsContact O-CA 3.25Å; I71-Q128 WeakPolarHBondContact O-CA 3.41Å; I71-V129 HydrophobicContact CB-CB 4.41Å; I71-V129 PolarHBondContact N-O 2.97Å; I71-V129 PolarHBondContact O-N 2.54Å; I71-I131 HydrophobicContact CD1-CD1 3.77Å; I71-I131 HydrophobicContact CG1-CD1 4.49Å; I71-Y148 HydrophobicContact CD1-CD1 3.66Å; I71-Y148 HydrophobicContact CD1-CD2 4.06Å; I71-Y148 HydrophobicContact CD1-CE1 4.29Å; I71-Y148 HydrophobicContact CD1-CG 3.54Å; I71-Y148 HydrophobicContact CG1-CD1 4.02Å; I71-Y148 HydrophobicContact CG1-CD2 4.42Å; I71-Y148 HydrophobicContact CG1-CE1 4.14Å; I71-Y148 HydrophobicContact CG1-CG 4.18Å; I71-Y148 HydrophobicContact CG2-CD2 3.71Å; I71-Y148 HydrophobicContact CG2-CE2 3.58Å; I71-Y148 HydrophobicContact CG2-CG 4.3Å
72	K	84.2	Confident	84.7	Confident	91 Å²	91	39.6 Å²	39.6	40%	0.396	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.3	174.4	-62.9	-170.8	175.4	-177.4	0	109.8	V42 Y43 S44 L70 Q128	V42-K72 HydrophobicContact CG1-CD 4.08Å; V42-K72 HydrophobicContact CG1-CG 4.26Å; Y43-K72 PolarHBondContact O-N 3.21Å; S44-K72 WeakPolarHBondContact CA-O 3.38Å; L70-K72 HydrophobicContact CD1-CG 4.42Å; L70-K72 HydrophobicContact CD2-CD 4.4Å; L70-K72 HydrophobicContact CD2-CG 4.3Å; L70-K72 HydrophobicContact CG-CG 3.97Å; K72-Q128 HydrophobicContact CG-CG 4.33Å
73	A	80.7	Confident	85.2	Confident	23 Å²	23	36.6 Å²	36.6	19%	0.19	18%	0.182	C	C	.	.			trans	-125.6	168.4	172.9	0	0	0	0	0	109.9	I79 S127 T150	A73-I79 HydrophobicContact CB-CD1 4.32Å; A73-I79 HydrophobicContact CB-CG1 4.29Å; A73-S127 PolarHBondContact N-O 3.44Å; A73-T150 HydrophobicContact CB-CG2 3.63Å
74	S	72.6	Confident	85.5	Confident	38 Å²	38	39.4 Å²	39.4	27%	0.266	19%	0.19	S	C	.	.			trans	-63.1	146.9	169.3	-47.3	0	0	0	0	109.6	N76 Y77 D172	S74-N76 WeakPolarHBondContact CB-OD1 3.42Å; S74-N76 PolarHBondContact O-N 2.79Å; S74-Y77 WeakPolarHBondContact O-CB 3.42Å; S74-Y77 PolarHBondContact O-N 3.18Å; S74-D172 PolarHBondContact OG-OD2 3.49Å
75	F	61.3	Low	86.1	Confident	60 Å²	60	38.1 Å²	38.1	26%	0.263	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.6	-173.9	76.9	-68.8	0	0	0	114.5	Y77 K153 Q169 F170	F75-Y77 PolarHBondContact O-N 3.45Å; F75-K153 PolarHBondContact O-NZ 3.08Å; F75-K153 VanDerWaalsContact O-NZ 3.11Å; F75-Q169 HydrophobicContact CE2-CB 3.86Å; F75-Q169 HydrophobicContact CE2-CG 4.25Å; F75-Q169 HydrophobicContact CZ-CB 4.08Å; F75-F170 HydrophobicContact CB-CD2 4.35Å; F75-F170 HydrophobicContact CD1-CB 3.57Å; F75-F170 AromaticContact CD1-CD2 3.67Å; F75-F170 HydrophobicContact CD1-CD2 3.67Å; F75-F170 AromaticContact CD1-CG 3.88Å; F75-F170 HydrophobicContact CD1-CG 3.88Å; F75-F170 AromaticContact CD2-CD2 4Å; F75-F170 HydrophobicContact CD2-CD2 4Å; F75-F170 HydrophobicContact CE1-CB 3.36Å; F75-F170 HydrophobicContact CE1-CD2 4.14Å; F75-F170 HydrophobicContact CE1-CG 4.14Å; F75-F170 WeakPolarHBondContact CE1-O 3.33Å; F75-F170 HydrophobicContact CE2-CD2 4.36Å; F75-F170 HydrophobicContact CG-CB 4.41Å; F75-F170 AromaticContact CG-CD2 3.66Å; F75-F170 HydrophobicContact CG-CD2 3.66Å; F75-F170 HydrophobicContact CG-CE2 4.38Å; F75-F170 HydrophobicContact CG-CG 4.34Å; F75-F170 HydrophobicContact CZ-CB 3.96Å; F75-F170 HydrophobicContact CZ-CD2 4.45Å; F75-F170 WeakPolarHBondContact CZ-O 3.3Å
76	N	58	Low	86.5	Confident	36 Å²	36	38.3 Å²	38.3	19%	0.193	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	7.6	176	65.5	-44.3	0	0	0	113.6	S74 E152 K153	S74-N76 WeakPolarHBondContact CB-OD1 3.42Å; S74-N76 PolarHBondContact O-N 2.79Å; N76-E152 PolarHBondContact ND2-OE1 3.27Å; N76-K153 WeakPolarHBondContact O-CA 3.43Å; N76-K153 WeakPolarHBondContact O-CB 3.38Å; N76-K153 VanDerWaalsContact O-CG 3.27Å; N76-K153 WeakPolarHBondContact O-CG 3.05Å; N76-K153 PolarHBondContact O-N 2.52Å
77	Y	78.5	Confident	86.8	Confident	29 Å²	29	35.9 Å²	35.9	11%	0.114	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	152.1	175.9	-73.3	-115.7	0	0	0	110.5	S74 F75 I151 E152 K153	S74-Y77 WeakPolarHBondContact O-CB 3.42Å; S74-Y77 PolarHBondContact O-N 3.18Å; F75-Y77 PolarHBondContact O-N 3.45Å; Y77-I151 CarbonylContact C-O 3.54Å; Y77-I151 VanDerWaalsContact CA-O 3.24Å; Y77-I151 WeakPolarHBondContact CA-O 3.48Å; Y77-I151 VanDerWaalsContact CD1-C 3.44Å; Y77-E152 HydrophobicContact CD1-CB 4.09Å; Y77-E152 VanDerWaalsContact CD1-N 3.28Å; Y77-E152 HydrophobicContact CD2-CB 4.49Å; Y77-E152 HydrophobicContact CD2-CG 4.41Å; Y77-E152 HydrophobicContact CE1-CB 3.68Å; Y77-E152 HydrophobicContact CE1-CG 4.4Å; Y77-E152 HydrophobicContact CE2-CB 4.09Å; Y77-E152 HydrophobicContact CE2-CG 3.91Å; Y77-E152 HydrophobicContact CG-CB 4.48Å; Y77-K153 VanDerWaalsContact C-CE 3.49Å; Y77-K153 WeakPolarHBondContact O-CE 3.24Å; Y77-K153 PolarHBondContact O-NZ 3.39Å; Y77-K153 VanDerWaalsContact O-NZ 3.15Å
78	K	80.5	Confident	87.1	Confident	44 Å²	44	36.1 Å²	36.1	19%	0.191	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	156.4	165.1	63.5	177.5	-173	173.5	0	109	E123 T150 I151 K153	K78-E123 HydrophobicContact CD-CG 4.22Å; K78-E123 VanDerWaalsContact CD-OE1 3.29Å; K78-E123 WeakPolarHBondContact CD-OE1 3.12Å; K78-E123 WeakPolarHBondContact CE-OE1 3.47Å; K78-E123 IonicContact NZ-OE1 3.88Å; K78-E123 PolarHBondContact NZ-OE1 2.91Å; K78-E123 IonicContact NZ-OE2 3.78Å; K78-E123 PolarHBondContact NZ-OE2 2.85Å; K78-E123 VanDerWaalsContact NZ-OE2 3.1Å; K78-T150 CarbonylContact O-C 3.57Å; K78-T150 WeakPolarHBondContact O-CA 3.27Å; K78-I151 HydrophobicContact CG-CB 4.03Å; K78-I151 PolarHBondContact N-O 2.87Å; K78-I151 PolarHBondContact O-N 3.29Å; K78-K153 HydrophobicContact CB-CG 4.34Å
79	I	91.2	Very high	87.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	-177.4	-65.3	163	0	0	0	108.7	I71 A73 I81 I124 V129 T150	I71-I79 HydrophobicContact CB-CD1 4.23Å; I71-I79 HydrophobicContact CD1-CG2 4.27Å; I71-I79 HydrophobicContact CG2-CD1 3.74Å; I71-I79 HydrophobicContact CG2-CG1 4.24Å; I71-I79 HydrophobicContact CG2-CG2 4.23Å; A73-I79 HydrophobicContact CB-CD1 4.32Å; A73-I79 HydrophobicContact CB-CG1 4.29Å; I79-I81 HydrophobicContact CG2-CD1 4.4Å; I79-I81 HydrophobicContact CG2-CG1 4.12Å; I79-I124 PolarHBondContact N-O 3.04Å; I79-I124 PolarHBondContact O-N 2.69Å; I79-V129 HydrophobicContact CB-CG2 3.76Å; I79-V129 HydrophobicContact CD1-CB 4.14Å; I79-V129 HydrophobicContact CD1-CG2 3.7Å; I79-V129 HydrophobicContact CG1-CG2 4.32Å; I79-V129 HydrophobicContact CG2-CB 4.31Å; I79-V129 HydrophobicContact CG2-CG2 3.8Å; I79-T150 HydrophobicContact CG1-CG2 4.28Å
80	I	95.3	Very high	87.2	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.077	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.2	173.2	-56.7	-166	0	0	0	108.4	P121 I122 E123 Y148 E149 I151	I80-P121 HydrophobicContact CG2-CB 3.62Å; I80-P121 HydrophobicContact CG2-CG 4.29Å; I80-I122 CarbonylContact C-O 3.51Å; I80-I122 WeakPolarHBondContact CA-O 3.4Å; I80-E123 HydrophobicContact CG1-CG 4.28Å; I80-Y148 CarbonylContact O-C 3.48Å; I80-Y148 WeakPolarHBondContact O-CA 3.29Å; I80-E149 HydrophobicContact CB-CG 3.89Å; I80-E149 PolarHBondContact N-O 3.03Å; I80-E149 PolarHBondContact O-N 2.8Å; I80-I151 HydrophobicContact CD1-CD1 3.4Å; I80-I151 HydrophobicContact CD1-CG1 4.19Å; I80-I151 HydrophobicContact CG1-CD1 4.14Å; I80-I151 HydrophobicContact CG1-CG1 4.42Å
81	I	97.7	Very high	86.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.3	178.6	-66.9	166.7	0	0	0	109.5	I71 I79 I83 I101 P121 I122 V129 I131 L146	I71-I81 HydrophobicContact CD1-CD1 4.15Å; I71-I81 HydrophobicContact CD1-CG1 4.35Å; I79-I81 HydrophobicContact CG2-CD1 4.4Å; I79-I81 HydrophobicContact CG2-CG1 4.12Å; I81-I83 HydrophobicContact CG2-CG1 4.46Å; I81-I101 HydrophobicContact CD1-CG2 3.49Å; I81-I101 VanDerWaalsContact CD1-CG2 3.49Å; I81-I101 HydrophobicContact CG2-CD1 4.08Å; I81-P121 CarbonylContact O-C 3.51Å; I81-P121 VanDerWaalsContact O-CA 3.31Å; I81-P121 WeakPolarHBondContact O-CA 3.32Å; I81-P121 WeakPolarHBondContact O-CB 3.17Å; I81-I122 HydrophobicContact CB-CB 4.4Å; I81-I122 PolarHBondContact N-O 2.74Å; I81-I122 PolarHBondContact O-N 3.23Å; I81-V129 HydrophobicContact CD1-CB 4.43Å; I81-V129 HydrophobicContact CD1-CG1 3.56Å; I81-I131 HydrophobicContact CD1-CD1 4.06Å; I81-I131 HydrophobicContact CD1-CG1 4.42Å; I81-L146 HydrophobicContact CG2-CB 4.26Å; I81-L146 HydrophobicContact CG2-CD1 4.08Å; I81-L146 HydrophobicContact CG2-CD2 4.23Å; I81-L146 HydrophobicContact CG2-CG 4.43Å
82	H	97.3	Very high	86.2	Confident	42 Å²	42	48.8 Å²	48.8	19%	0.194	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.4	174.1	-61.3	-103.5	0	0	0	108.3	E84 N120 L146 H147 E149	H82-E84 PolarHBondContact O-N 2.87Å; H82-N120 WeakPolarHBondContact CA-OD1 3.32Å; H82-L146 CarbonylContact O-C 3.56Å; H82-L146 VanDerWaalsContact O-CA 3.24Å; H82-L146 WeakPolarHBondContact O-CA 3.47Å; H82-L146 WeakPolarHBondContact O-CB 3.05Å; H82-H147 WeakPolarHBondContact CB-CE1 3.36Å; H82-H147 WeakPolarHBondContact CB-NE2 3.35Å; H82-H147 AromaticContact CD2-CD2 3.68Å; H82-H147 AromaticContact CD2-CE1 3.85Å; H82-H147 AromaticContact CD2-NE2 3.17Å; H82-H147 PolarHBondContact CD2-NE2 2.91Å; H82-H147 AromaticContact CG-CE1 3.51Å; H82-H147 AromaticContact CG-NE2 3.33Å; H82-H147 VanDerWaalsContact CG-NE2 3.33Å; H82-H147 PolarHBondContact N-O 3.03Å; H82-H147 AromaticContact NE2-NE2 3.83Å; H82-H147 PolarHBondContact O-N 2.74Å; H82-E149 IonicContact CD2-OE1 3.97Å; H82-E149 IonicContact CE1-OE1 2.8Å; H82-E149 IonicContact NE2-OE1 3.84Å; H82-E149 PolarHBondContact NE2-OE1 3.35Å
83	I	97.3	Very high	85.8	Confident	3 Å²	3	49 Å²	49	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.6	173.7	-57.2	171.9	0	0	0	107.3	I81 L86 L99 I101 Y112 L116 N120 I122 L146	I81-I83 HydrophobicContact CG2-CG1 4.46Å; I83-L86 HydrophobicContact CG2-CB 4.02Å; I83-L99 HydrophobicContact CD1-CD2 4.09Å; I83-I101 HydrophobicContact CD1-CD1 4.12Å; I83-I101 HydrophobicContact CG1-CD1 4.42Å; I83-Y112 HydrophobicContact CD1-CD1 4.12Å; I83-Y112 HydrophobicContact CD1-CD2 3.86Å; I83-Y112 HydrophobicContact CD1-CE1 4.08Å; I83-Y112 HydrophobicContact CD1-CE2 3.82Å; I83-Y112 HydrophobicContact CD1-CG 4.02Å; I83-L116 HydrophobicContact CB-CD1 3.77Å; I83-L116 HydrophobicContact CD1-CD1 4.36Å; I83-L116 HydrophobicContact CG2-CD1 3.78Å; I83-N120 PolarHBondContact N-OD1 3.24Å; I83-N120 PolarHBondContact O-ND2 2.91Å; I83-I122 HydrophobicContact CD1-CD1 4.06Å; I83-L146 HydrophobicContact CG1-CB 4.49Å
84	E	95.1	Very high	86	Confident	105 Å²	105	48.5 Å²	48.5	49%	0.491	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-47.9	-177.5	-68.3	-71.2	-177.5	0	0	111.5	H82 L145 H147	H82-E84 PolarHBondContact O-N 2.87Å; E84-L145 HydrophobicContact CB-CB 4.48Å; E84-L145 HydrophobicContact CB-CD2 4.31Å; E84-L145 HydrophobicContact CB-CG 4.29Å; E84-L145 WeakPolarHBondContact CB-O 3.1Å; E84-L145 PolarHBondContact N-O 3.27Å; E84-H147 IonicContact OE1-CE1 2.9Å; E84-H147 PolarHBondContact OE1-CE1 3.5Å; E84-H147 IonicContact OE1-ND1 3.77Å; E84-H147 PolarHBondContact OE1-ND1 3.42Å
85	E	94.9	Very high	86.4	Confident	92 Å²	92	53 Å²	53	43%	0.43	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.2	177.6	-64.3	-177.3	-141.9	0	0	109.2	Y56 F144 L145	Y56-E85 WeakPolarHBondContact OH-CB 3.36Å; Y56-E85 VanDerWaalsContact OH-CD 3.22Å; Y56-E85 PolarHBondContact OH-OE2 2.85Å; E85-F144 CarbonylContact O-C 3.59Å; E85-F144 WeakPolarHBondContact O-CA 3.3Å; E85-F144 WeakPolarHBondContact O-CB 3.41Å; E85-L145 HydrophobicContact CB-CB 4.12Å; E85-L145 PolarHBondContact N-O 3.19Å; E85-L145 VanDerWaalsContact N-O 3.07Å; E85-L145 PolarHBondContact O-N 3.18Å
86	L	95.4	Very high	87.6	Confident	22 Å²	22	53.8 Å²	53.8	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	118.1	173.6	-174.3	74.5	0	0	0	108.8	I83 L88 L99 Y112 L116 F144	I83-L86 HydrophobicContact CG2-CB 4.02Å; L86-L88 HydrophobicContact CD1-CD1 3.87Å; L86-L88 HydrophobicContact CD1-CG 3.93Å; L86-L99 HydrophobicContact CD1-CB 4.5Å; L86-L99 HydrophobicContact CD1-CD2 4.07Å; L86-Y112 HydrophobicContact CD2-CD1 4.49Å; L86-L116 HydrophobicContact CB-CB 4.49Å; L86-F144 HydrophobicContact CD1-CB 4.02Å
87	D	94.8	Very high	89.3	Confident	68 Å²	68	52.1 Å²	52.1	36%	0.364	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	84.6	176.1	178.9	30.4	0	0	0	108.3	G141 K142 G143	D87-G141 CarbonylContact O-C 3.58Å; D87-G141 WeakPolarHBondContact O-CA 3.18Å; D87-K142 HydrophobicContact CB-CB 4.03Å; D87-K142 PolarHBondContact O-N 2.94Å; D87-K142 WeakPolarHBondContact OD2-CB 2.92Å; D87-K142 VanDerWaalsContact OD2-CG 3.27Å; D87-K142 WeakPolarHBondContact OD2-CG 3.22Å; D87-K142 PolarHBondContact OD2-N 3.29Å; D87-G143 PolarHBondContact N-O 2.96Å; D87-G143 PolarHBondContact O-N 2.84Å
88	L	94.4	Very high	89.9	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.037	27%	0.27	C	S	.	.			trans	-120.7	160.7	177.5	-60	-174.6	0	0	0	109.8	Y61 L86 E90 D97 L99 C113 G114 F133	Y61-L88 HydrophobicContact CD1-CD2 4.25Å; Y61-L88 HydrophobicContact CE1-CD2 3.58Å; L86-L88 HydrophobicContact CD1-CD1 3.87Å; L86-L88 HydrophobicContact CD1-CG 3.93Å; L88-E90 PolarHBondContact O-N 3.31Å; L88-D97 HydrophobicContact CB-CB 4.18Å; L88-L99 HydrophobicContact CD1-CB 4Å; L88-C113 HydrophobicContact CB-CB 4.42Å; L88-G114 WeakPolarHBondContact O-CA 3.46Å; L88-G114 PolarHBondContact O-N 3.29Å; L88-G114 VanDerWaalsContact O-N 3.12Å; L88-F133 HydrophobicContact CD1-CD2 4.42Å; L88-F133 HydrophobicContact CD1-CE2 4.12Å; L88-F133 HydrophobicContact CD2-CD2 4.39Å; L88-F133 HydrophobicContact CD2-CE2 3.42Å; L88-F133 VanDerWaalsContact CD2-CE2 3.42Å; L88-F133 HydrophobicContact CD2-CZ 3.96Å; L88-F133 HydrophobicContact CG-CE2 4.44Å
89	E	91.1	Very high	90.6	Very high	26 Å²	26	51.5 Å²	51.5	12%	0.121	26%	0.261	C	S	.	.			trans	-54.1	130.9	172.7	-177	-177.2	-167.8	0	0	111.7	Y61 F96 D97 C113 G114 N139	Y61-E89 PolarHBondContact OH-N 2.59Å; E89-F96 WeakPolarHBondContact OE2-CB 3.22Å; E89-D97 HydrophobicContact CB-CB 3.93Å; E89-D97 WeakPolarHBondContact CB-OD2 2.97Å; E89-D97 PolarHBondContact N-OD2 3.07Å; E89-C113 WeakPolarHBondContact O-CB 3.42Å; E89-G114 PolarHBondContact O-N 3.46Å; E89-N139 HydrophobicContact CB-CB 3.99Å; E89-N139 VanDerWaalsContact CD-CB 3.48Å; E89-N139 HydrophobicContact CG-CB 3.71Å; E89-N139 PolarHBondContact OE1-ND2 3.1Å
90	E	91.3	Very high	90.6	Very high	122 Å²	122	52.7 Å²	52.7	57%	0.57	27%	0.268	S	S	*	.			trans	-91.2	121.9	-179.7	-171	163.3	-163.6	0	0	112.3	L88 K117	L88-E90 PolarHBondContact O-N 3.31Å; E90-K117 IonicContact OE1-NZ 2.69Å
91	T	82.7	Confident	90.5	Very high	24 Å²	24	52 Å²	52	15%	0.147	26%	0.264	C	S	.	.			trans	-136.7	162.5	168.8	58	0	0	0	0	112.3	S93 C94 M95 F96	T91-S93 PolarHBondContact O-N 3.26Å; T91-C94 PolarHBondContact O-N 3.02Å; T91-C94 VanDerWaalsContact OG1-CA 3.22Å; T91-C94 WeakPolarHBondContact OG1-CA 3.47Å; T91-C94 PolarHBondContact OG1-N 3.17Å; T91-M95 PolarHBondContact OG1-N 2.83Å; T91-M95 VanDerWaalsContact OG1-N 3.13Å; T91-F96 HydrophobicContact CG2-CD2 3.28Å; T91-F96 HydrophobicContact CG2-CE2 3.66Å; T91-F96 HydrophobicContact CG2-CG 4.23Å
92	N	75.6	Confident	89.6	Confident	176 Å²	176	51.9 Å²	51.9	94%	0.941	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-8.9	-178.4	-74.2	-16.7	0	0	0	114.4
93	S	76.8	Confident	88.6	Confident	95 Å²	95	50 Å²	50	66%	0.664	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.5	12.8	178.3	-54.1	0	0	0	0	113.9	T91 M95	T91-S93 PolarHBondContact O-N 3.26Å; S93-M95 PolarHBondContact O-N 3.49Å
94	C	85.2	Confident	87.1	Confident	13 Å²	13	52.1 Å²	52.1	9%	0.088	27%	0.265	C	S	.	.			trans	54	42.1	-175.9	-50.8	0	0	0	0	112.6	T91 Y98 T111 C113	T91-C94 PolarHBondContact O-N 3.02Å; T91-C94 VanDerWaalsContact OG1-CA 3.22Å; T91-C94 WeakPolarHBondContact OG1-CA 3.47Å; T91-C94 PolarHBondContact OG1-N 3.17Å; C94-Y98 WeakPolarHBondContact O-CB 3.46Å; C94-T111 HydrophobicContact CB-CG2 3.83Å; C94-C113 WeakPolarHBondContact CA-SG 3.26Å; C94-C113 HydrophobicContact CB-CB 3.42Å; C94-C113 VanDerWaalsContact CB-CB 3.42Å; C94-C113 WeakPolarHBondContact CB-SG 3.35Å; C94-C113 WeakPolarHBondContact SG-CB 3.26Å; C94-C113 PolarHBondContact SG-N 3.25Å; C94-C113 CovalentContact SG-SG 2.03Å; C94-C113 PolarHBondContact SG-SG 2.93Å
95	M	80.9	Confident	85.3	Confident	133 Å²	133	48.7 Å²	48.7	66%	0.655	25%	0.248	S	C	*	.			trans	-83.1	-15.7	-172.5	65.4	177.7	-74	0	0	114.1	T91 S93	T91-M95 PolarHBondContact OG1-N 2.83Å; T91-M95 VanDerWaalsContact OG1-N 3.13Å; S93-M95 PolarHBondContact O-N 3.49Å
96	F	86.4	Confident	84	Confident	77 Å²	77	50.9 Å²	50.9	34%	0.338	25%	0.253	S	S	.	.	S	Bend	trans	-100.8	-68.5	-178.7	-61.8	-39.8	0	0	0	109.4	E89 T91 D136	E89-F96 WeakPolarHBondContact OE2-CB 3.22Å; T91-F96 HydrophobicContact CG2-CD2 3.28Å; T91-F96 HydrophobicContact CG2-CE2 3.66Å; T91-F96 HydrophobicContact CG2-CG 4.23Å; F96-D136 HydrophobicContact CB-CB 4.16Å; F96-D136 WeakPolarHBondContact CB-OD2 3.29Å
97	D	92.2	Very high	82.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-107.4	133.6	170.7	-62	-21.6	0	0	0	111.4	Y61 L88 E89 C113 G134 T135 D136	Y61-D97 VanDerWaalsContact CE2-OD2 3.32Å; Y61-D97 WeakPolarHBondContact CE2-OD2 3.21Å; Y61-D97 PolarHBondContact OH-OD2 2.05Å; L88-D97 HydrophobicContact CB-CB 4.18Å; E89-D97 HydrophobicContact CB-CB 3.93Å; E89-D97 WeakPolarHBondContact CB-OD2 2.97Å; E89-D97 PolarHBondContact N-OD2 3.07Å; D97-C113 WeakPolarHBondContact O-CB 3.38Å; D97-G134 WeakPolarHBondContact CA-O 3.49Å; D97-T135 WeakPolarHBondContact OD1-CA 3.29Å; D97-T135 VanDerWaalsContact OD1-CB 3.26Å; D97-T135 WeakPolarHBondContact OD1-CB 3.39Å; D97-D136 PolarHBondContact OD1-N 3.26Å
98	Y	91.4	Very high	80.9	Confident	60 Å²	60	51.5 Å²	51.5	24%	0.235	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.7	-179.2	63.1	-88.3	0	0	0	114	C94 L100 Y112 I132 F133 G134	C94-Y98 WeakPolarHBondContact O-CB 3.46Å; Y98-L100 HydrophobicContact CD2-CB 4.05Å; Y98-L100 HydrophobicContact CE2-CB 4.33Å; Y98-Y112 WeakPolarHBondContact CA-O 3.45Å; Y98-I132 HydrophobicContact CE2-CG2 4.09Å; Y98-F133 WeakPolarHBondContact O-CA 3.38Å; Y98-F133 WeakPolarHBondContact O-CD2 3.48Å; Y98-G134 PolarHBondContact N-O 3.08Å; Y98-G134 PolarHBondContact O-N 2.74Å
99	L	95.1	Very high	80.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.5	161.8	172.5	64.6	0	0	0	108.2	I83 L86 L88 I101 T111 Y112 I131 F144 L146	I83-L99 HydrophobicContact CD1-CD2 4.09Å; L86-L99 HydrophobicContact CD1-CB 4.5Å; L86-L99 HydrophobicContact CD1-CD2 4.07Å; L88-L99 HydrophobicContact CD1-CB 4Å; L99-I101 HydrophobicContact CD1-CG1 4.31Å; L99-I101 HydrophobicContact CD2-CD1 4.2Å; L99-I101 HydrophobicContact CG-CD1 4.27Å; L99-I101 HydrophobicContact CG-CG1 4.19Å; L99-T111 CarbonylContact O-C 3.53Å; L99-T111 WeakPolarHBondContact O-CA 3.48Å; L99-Y112 PolarHBondContact N-O 3.37Å; L99-Y112 PolarHBondContact O-N 3.05Å; L99-I131 HydrophobicContact CD1-CG2 3.48Å; L99-I131 VanDerWaalsContact CD1-CG2 3.48Å; L99-F144 HydrophobicContact CD1-CD1 3.94Å; L99-F144 HydrophobicContact CD1-CD2 4.43Å; L99-F144 HydrophobicContact CD1-CE1 3.76Å; L99-F144 HydrophobicContact CD1-CE2 4.25Å; L99-F144 HydrophobicContact CD1-CG 4.3Å; L99-F144 HydrophobicContact CD1-CZ 3.91Å; L99-F144 HydrophobicContact CD2-CB 4.23Å; L99-F144 HydrophobicContact CD2-CD1 4.26Å; L99-F144 HydrophobicContact CD2-CD2 4.34Å; L99-F144 HydrophobicContact CD2-CG 4.01Å; L99-F144 HydrophobicContact CG-CD1 4.5Å; L99-L146 HydrophobicContact CD2-CD2 4.49Å
100	L	90.8	Very high	80.2	Confident	25 Å²	25	55.9 Å²	55.9	13%	0.131	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.2	176.4	-179.5	67.6	0	0	0	109.3	Y98 Y106 V109 Y110 T111 I131 I132	Y98-L100 HydrophobicContact CD2-CB 4.05Å; Y98-L100 HydrophobicContact CE2-CB 4.33Å; L100-Y106 HydrophobicContact CD2-CE1 4.23Å; L100-V109 HydrophobicContact CD1-CG1 3.44Å; L100-V109 VanDerWaalsContact CD1-CG1 3.44Å; L100-Y110 CarbonylContact C-O 3.41Å; L100-Y110 WeakPolarHBondContact CA-O 3.4Å; L100-T111 WeakPolarHBondContact CD1-OG1 3.16Å; L100-I131 CarbonylContact O-C 3.6Å; L100-I131 VanDerWaalsContact O-CA 3.26Å; L100-I131 WeakPolarHBondContact O-CA 3.38Å; L100-I132 HydrophobicContact CB-CB 4.2Å; L100-I132 HydrophobicContact CD2-CB 4.5Å; L100-I132 HydrophobicContact CD2-CD1 4.25Å; L100-I132 PolarHBondContact N-O 3.01Å; L100-I132 PolarHBondContact O-N 2.99Å
101	I	93.8	Very high	80.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.2	176.7	-58.4	174.3	0	0	0	107.4	I81 I83 L99 Y110 Y112 I122 I124 V129 Y130 I131 L146	I81-I101 HydrophobicContact CD1-CG2 3.49Å; I81-I101 VanDerWaalsContact CD1-CG2 3.49Å; I81-I101 HydrophobicContact CG2-CD1 4.08Å; I83-I101 HydrophobicContact CD1-CD1 4.12Å; I83-I101 HydrophobicContact CG1-CD1 4.42Å; L99-I101 HydrophobicContact CD1-CG1 4.31Å; L99-I101 HydrophobicContact CD2-CD1 4.2Å; L99-I101 HydrophobicContact CG-CD1 4.27Å; L99-I101 HydrophobicContact CG-CG1 4.19Å; I101-Y110 PolarHBondContact N-O 2.84Å; I101-Y110 PolarHBondContact O-N 2.92Å; I101-Y112 HydrophobicContact CD1-CE2 4.43Å; I101-I122 HydrophobicContact CB-CD1 4.39Å; I101-I122 HydrophobicContact CD1-CD1 3.5Å; I101-I122 HydrophobicContact CG2-CD1 4.42Å; I101-I124 HydrophobicContact CG2-CD1 3.8Å; I101-V129 HydrophobicContact CG2-CG1 3.79Å; I101-Y130 WeakPolarHBondContact CA-O 3.44Å; I101-I131 HydrophobicContact CG1-CG1 4.25Å; I101-I131 HydrophobicContact CG1-CG2 4.29Å; I101-I131 HydrophobicContact CG2-CG1 4.4Å; I101-L146 HydrophobicContact CD1-CD2 4.42Å
102	T	80.1	Confident	80.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	157.7	-173.2	179.8	0	0	0	0	112.3	Y106 D108 V129 Y130	T102-Y106 HydrophobicContact CG2-CD1 3.96Å; T102-Y106 HydrophobicContact CG2-CE1 3.83Å; T102-Y106 VanDerWaalsContact OG1-CA 3.29Å; T102-Y106 WeakPolarHBondContact OG1-CA 3.47Å; T102-D108 WeakPolarHBondContact CA-O 3.14Å; T102-D108 WeakPolarHBondContact CB-O 3.35Å; T102-D108 PolarHBondContact OG1-O 2.87Å; T102-V129 CarbonylContact O-C 3.47Å; T102-V129 WeakPolarHBondContact O-CA 3.41Å; T102-V129 WeakPolarHBondContact O-CG1 3.16Å; T102-Y130 PolarHBondContact N-O 2.84Å; T102-Y130 PolarHBondContact O-N 2.82Å
103	D	75.6	Confident	81.5	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	173.9	163.7	86.4	-34	0	0	0	111.7	Y105 Y106 T107 D108 I124 R332	D103-Y105 PolarHBondContact O-N 3.26Å; D103-Y105 PolarHBondContact OD1-N 2.56Å; D103-Y106 PolarHBondContact O-N 2.84Å; D103-Y106 WeakPolarHBondContact OD1-CA 2.97Å; D103-Y106 PolarHBondContact OD1-N 3.15Å; D103-T107 VanDerWaalsContact CG-OG1 3.3Å; D103-T107 PolarHBondContact OD1-N 3.3Å; D103-T107 PolarHBondContact OD1-OG1 2.02Å; D103-T107 PolarHBondContact OD2-OG1 3.43Å; D103-D108 PolarHBondContact N-O 3.32Å; D103-I124 HydrophobicContact CB-CG2 3.85Å; D103-R332 IonicContact OD2-CZ 3.7Å; D103-R332 VanDerWaalsContact OD2-CZ 3.3Å; D103-R332 IonicContact OD2-NH1 2.83Å; D103-R332 PolarHBondContact OD2-NH1 2.97Å; D103-R332 VanDerWaalsContact OD2-NH1 3.11Å; D103-R332 IonicContact OD2-NH2 3.85Å; D103-R332 PolarHBondContact OD2-NH2 3.17Å
104	E	64.6	Low	82.2	Confident	47 Å²	47	39.9 Å²	39.9	22%	0.22	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-20.5	179	18.1	178.9	-155.8	0	0	115.3	Q128 Y130	E104-Q128 HydrophobicContact CG-CB 4.07Å; E104-Q128 PolarHBondContact OE2-NE2 2.96Å; E104-Y130 HydrophobicContact CB-CD2 4.31Å; E104-Y130 HydrophobicContact CB-CE2 3.74Å
105	Y	58.2	Low	82.2	Confident	34 Å²	34	46.5 Å²	46.5	13%	0.133	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	9.7	-171.4	-52.5	-88.9	0	0	0	114.2	D103 T107 R332	D103-Y105 PolarHBondContact O-N 3.26Å; D103-Y105 PolarHBondContact OD1-N 2.56Å; Y105-T107 VanDerWaalsContact C-N 3.28Å; Y105-T107 PolarHBondContact O-N 2.68Å; Y105-R332 HydrophobicContact CD1-CB 3.93Å; Y105-R332 HydrophobicContact CD1-CG 3.94Å; Y105-R332 VanDerWaalsContact CD2-CD 3.43Å; Y105-R332 HydrophobicContact CD2-CG 4.08Å; Y105-R332 HydrophobicContact CE1-CB 3.58Å; Y105-R332 HydrophobicContact CE1-CG 4.05Å; Y105-R332 HydrophobicContact CE2-CB 4.23Å; Y105-R332 HydrophobicContact CE2-CG 4.12Å; Y105-R332 HydrophobicContact CG-CB 4.4Å; Y105-R332 HydrophobicContact CG-CG 3.94Å
106	Y	67.4	Low	82.6	Confident	137 Å²	137	44 Å²	44	54%	0.537	21%	0.214	S	C	.	.	S	Bend	trans	60.2	33.1	179.3	-57.9	-98.9	0	0	0	114	L100 T102 D103 V109	L100-Y106 HydrophobicContact CD2-CE1 4.23Å; T102-Y106 HydrophobicContact CG2-CD1 3.96Å; T102-Y106 HydrophobicContact CG2-CE1 3.83Å; T102-Y106 VanDerWaalsContact OG1-CA 3.29Å; T102-Y106 WeakPolarHBondContact OG1-CA 3.47Å; D103-Y106 PolarHBondContact O-N 2.84Å; D103-Y106 WeakPolarHBondContact OD1-CA 2.97Å; D103-Y106 PolarHBondContact OD1-N 3.15Å; Y106-V109 HydrophobicContact CD1-CG2 4.17Å; Y106-V109 WeakPolarHBondContact O-CG2 3.01Å
107	T	55.1	Low	82.5	Confident	60 Å²	60	44.3 Å²	44.3	37%	0.368	22%	0.215	S	C	.	.	S	Bend	trans	-79.7	-39.4	173.5	57.6	0	0	0	0	112	D103 Y105 R332	D103-T107 VanDerWaalsContact CG-OG1 3.3Å; D103-T107 PolarHBondContact OD1-N 3.3Å; D103-T107 PolarHBondContact OD1-OG1 2.02Å; D103-T107 PolarHBondContact OD2-OG1 3.43Å; Y105-T107 VanDerWaalsContact C-N 3.28Å; Y105-T107 PolarHBondContact O-N 2.68Å; T107-R332 VanDerWaalsContact CG2-NH2 3.31Å; T107-R332 PolarHBondContact OG1-NH2 3.37Å
108	D	70.5	Confident	82.2	Confident	43 Å²	43	51.7 Å²	51.7	23%	0.23	25%	0.254	C	S	.	.	S	Bend	trans	-110.9	114.1	171.1	-66.6	-68.5	0	0	0	108	T102 D103 Y110	T102-D108 WeakPolarHBondContact CA-O 3.14Å; T102-D108 WeakPolarHBondContact CB-O 3.35Å; T102-D108 PolarHBondContact OG1-O 2.87Å; D103-D108 PolarHBondContact N-O 3.32Å; D108-Y110 HydrophobicContact CB-CE2 3.94Å
109	V	81.5	Confident	82	Confident	70 Å²	70	51.6 Å²	51.6	42%	0.424	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.6	-175.8	-174.4	0	0	0	0	110.3	L100 Y106	L100-V109 HydrophobicContact CD1-CG1 3.44Å; L100-V109 VanDerWaalsContact CD1-CG1 3.44Å; Y106-V109 HydrophobicContact CD1-CG2 4.17Å; Y106-V109 WeakPolarHBondContact O-CG2 3.01Å
110	Y	89.8	Confident	81.8	Confident	56 Å²	56	53.9 Å²	53.9	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.1	178.4	-54.5	-88.5	0	0	0	110.1	L100 I101 D108 P119 I122 I124	L100-Y110 CarbonylContact C-O 3.41Å; L100-Y110 WeakPolarHBondContact CA-O 3.4Å; I101-Y110 PolarHBondContact N-O 2.84Å; I101-Y110 PolarHBondContact O-N 2.92Å; D108-Y110 HydrophobicContact CB-CE2 3.94Å; Y110-P119 HydrophobicContact CD1-CG 3.76Å; Y110-P119 HydrophobicContact CE1-CG 3.56Å; Y110-I122 HydrophobicContact CD1-CG2 4.33Å; Y110-I122 HydrophobicContact CD2-CG2 3.42Å; Y110-I122 VanDerWaalsContact CD2-CG2 3.42Å; Y110-I122 HydrophobicContact CE1-CG2 4.27Å; Y110-I122 HydrophobicContact CE2-CG2 3.33Å; Y110-I122 HydrophobicContact CG-CD1 4.45Å; Y110-I122 HydrophobicContact CG-CG2 3.93Å; Y110-I124 HydrophobicContact CD2-CD1 4.5Å; Y110-I124 HydrophobicContact CE2-CD1 4.42Å; Y110-I124 HydrophobicContact CE2-CG1 4.2Å
111	T	90.6	Very high	82	Confident	69 Å²	69	55.8 Å²	55.8	42%	0.423	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.4	179.6	-50.9	0	0	0	0	110.1	C94 L99 L100	C94-T111 HydrophobicContact CB-CG2 3.83Å; L99-T111 CarbonylContact O-C 3.53Å; L99-T111 WeakPolarHBondContact O-CA 3.48Å; L100-T111 WeakPolarHBondContact CD1-OG1 3.16Å
112	Y	93.7	Very high	82	Confident	6 Å²	6	55.9 Å²	55.9	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143	-176.9	-61.3	-93.7	0	0	0	111.9	I83 L86 Y98 L99 I101 K117 P119 I122	I83-Y112 HydrophobicContact CD1-CD1 4.12Å; I83-Y112 HydrophobicContact CD1-CD2 3.86Å; I83-Y112 HydrophobicContact CD1-CE1 4.08Å; I83-Y112 HydrophobicContact CD1-CE2 3.82Å; I83-Y112 HydrophobicContact CD1-CG 4.02Å; L86-Y112 HydrophobicContact CD2-CD1 4.49Å; Y98-Y112 WeakPolarHBondContact CA-O 3.45Å; L99-Y112 PolarHBondContact N-O 3.37Å; L99-Y112 PolarHBondContact O-N 3.05Å; I101-Y112 HydrophobicContact CD1-CE2 4.43Å; Y112-K117 HydrophobicContact CD1-CB 4.39Å; Y112-K117 HydrophobicContact CE1-CB 4.48Å; Y112-K117 WeakPolarHBondContact CE1-O 3.22Å; Y112-P119 PolarHBondContact OH-O 3.16Å; Y112-I122 HydrophobicContact CE2-CD1 3.48Å; Y112-I122 VanDerWaalsContact CE2-CD1 3.48Å; Y112-I122 HydrophobicContact CE2-CG1 4.45Å; Y112-I122 VanDerWaalsContact OH-CD1 3.22Å; Y112-I122 WeakPolarHBondContact OH-CD1 3.32Å; Y112-I122 VanDerWaalsContact OH-CG1 3.29Å; Y112-I122 WeakPolarHBondContact OH-CG1 3.22Å
113	C	92.1	Very high	82.4	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.			trans	-163.5	163.8	170.8	66.2	0	0	0	0	109.4	L88 E89 C94 D97 K117	L88-C113 HydrophobicContact CB-CB 4.42Å; E89-C113 WeakPolarHBondContact O-CB 3.42Å; C94-C113 WeakPolarHBondContact CA-SG 3.26Å; C94-C113 HydrophobicContact CB-CB 3.42Å; C94-C113 VanDerWaalsContact CB-CB 3.42Å; C94-C113 WeakPolarHBondContact CB-SG 3.35Å; C94-C113 WeakPolarHBondContact SG-CB 3.26Å; C94-C113 PolarHBondContact SG-N 3.25Å; C94-C113 CovalentContact SG-SG 2.03Å; C94-C113 PolarHBondContact SG-SG 2.93Å; D97-C113 WeakPolarHBondContact O-CB 3.38Å; C113-K117 PolarHBondContact O-NZ 2.71Å
114	G	92.1	Very high	82.8	Confident	6 Å²	6	59.9 Å²	59.9	6%	0.062	31%	0.305	C	S	.	.	S	Bend	trans	68.9	-132.2	-171.2	0	0	0	0	0	111.5	L88 E89	L88-G114 WeakPolarHBondContact O-CA 3.46Å; L88-G114 PolarHBondContact O-N 3.29Å; L88-G114 VanDerWaalsContact O-N 3.12Å; E89-G114 PolarHBondContact O-N 3.46Å
115	Q	84.9	Confident	83.3	Confident	151 Å²	151	58.8 Å²	58.8	71%	0.706	30%	0.301	S	S	*	.	S	Bend	trans	-83	158	176.4	-62.4	-173.4	-13.9	0	0	112.4	K117	Q115-K117 PolarHBondContact O-N 3.21Å
116	L	87.7	Confident	83.9	Confident	81 Å²	81	57.5 Å²	57.5	42%	0.424	30%	0.297	S	S	.	.			trans	-55.9	120.9	176.6	-179.5	64.1	0	0	0	111.3	I83 L86 N120	I83-L116 HydrophobicContact CB-CD1 3.77Å; I83-L116 HydrophobicContact CD1-CD1 4.36Å; I83-L116 HydrophobicContact CG2-CD1 3.78Å; L86-L116 HydrophobicContact CB-CB 4.49Å; L116-N120 HydrophobicContact CD1-CB 4.38Å
117	K	84.7	Confident	84.3	Confident	84 Å²	84	52.1 Å²	52.1	37%	0.365	28%	0.28	S	S	.	.			trans	-108.3	162	177.3	-69.8	163.7	-172.1	166.7	0	109.9	E90 Y112 C113 Q115	E90-K117 IonicContact OE1-NZ 2.69Å; Y112-K117 HydrophobicContact CD1-CB 4.39Å; Y112-K117 HydrophobicContact CE1-CB 4.48Å; Y112-K117 WeakPolarHBondContact CE1-O 3.22Å; C113-K117 PolarHBondContact O-NZ 2.71Å; Q115-K117 PolarHBondContact O-N 3.21Å
118	L	85.9	Confident	85.6	Confident	155 Å²	155	51.4 Å²	51.4	81%	0.812	27%	0.272	S	S	*	.	S	Bend	trans	-79.5	149.3	169.6	-68.2	175.1	0	0	0	110.3
119	P	88.4	Confident	86.5	Confident	58 Å²	58	49.3 Å²	49.3	38%	0.377	26%	0.261	S	S	.	.			cis	-80.6	147.6	4.2	31.6	-33.5	0	0	0	113.7	Y110 Y112	Y110-P119 HydrophobicContact CD1-CG 3.76Å; Y110-P119 HydrophobicContact CE1-CG 3.56Å; Y112-P119 PolarHBondContact OH-O 3.16Å
120	N	90.5	Very high	86.9	Confident	48 Å²	48	49 Å²	49	26%	0.257	25%	0.253	S	S	.	.			trans	-155.2	118	167.4	-170.9	27.6	0	0	0	107.8	H82 I83 L116	H82-N120 WeakPolarHBondContact CA-OD1 3.32Å; I83-N120 PolarHBondContact N-OD1 3.24Å; I83-N120 PolarHBondContact O-ND2 2.91Å; L116-N120 HydrophobicContact CD1-CB 4.38Å
121	P	94.8	Very high	87.1	Confident	65 Å²	65	46.4 Å²	46.4	42%	0.422	24%	0.242	S	C	.	.	S	Bend	cis	-68.9	159.9	3.4	28.7	-34.6	0	0	0	113.8	I80 I81	I80-P121 HydrophobicContact CG2-CB 3.62Å; I80-P121 HydrophobicContact CG2-CG 4.29Å; I81-P121 CarbonylContact O-C 3.51Å; I81-P121 VanDerWaalsContact O-CA 3.31Å; I81-P121 WeakPolarHBondContact O-CA 3.32Å; I81-P121 WeakPolarHBondContact O-CB 3.17Å
122	I	93.8	Very high	87.1	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.2	170.5	-54.5	165.6	0	0	0	107.1	I80 I81 I83 I101 Y110 Y112 I124	I80-I122 CarbonylContact C-O 3.51Å; I80-I122 WeakPolarHBondContact CA-O 3.4Å; I81-I122 HydrophobicContact CB-CB 4.4Å; I81-I122 PolarHBondContact N-O 2.74Å; I81-I122 PolarHBondContact O-N 3.23Å; I83-I122 HydrophobicContact CD1-CD1 4.06Å; I101-I122 HydrophobicContact CB-CD1 4.39Å; I101-I122 HydrophobicContact CD1-CD1 3.5Å; I101-I122 HydrophobicContact CG2-CD1 4.42Å; Y110-I122 HydrophobicContact CD1-CG2 4.33Å; Y110-I122 HydrophobicContact CD2-CG2 3.42Å; Y110-I122 VanDerWaalsContact CD2-CG2 3.42Å; Y110-I122 HydrophobicContact CE1-CG2 4.27Å; Y110-I122 HydrophobicContact CE2-CG2 3.33Å; Y110-I122 HydrophobicContact CG-CD1 4.45Å; Y110-I122 HydrophobicContact CG-CG2 3.93Å; Y112-I122 HydrophobicContact CE2-CD1 3.48Å; Y112-I122 VanDerWaalsContact CE2-CD1 3.48Å; Y112-I122 HydrophobicContact CE2-CG1 4.45Å; Y112-I122 VanDerWaalsContact OH-CD1 3.22Å; Y112-I122 WeakPolarHBondContact OH-CD1 3.32Å; Y112-I122 VanDerWaalsContact OH-CG1 3.29Å; Y112-I122 WeakPolarHBondContact OH-CG1 3.22Å; I122-I124 HydrophobicContact CG2-CD1 4.3Å; I122-I124 HydrophobicContact CG2-CG1 4Å
123	E	89.3	Confident	87.1	Confident	86 Å²	86	43.1 Å²	43.1	40%	0.402	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.4	173	-178.2	171.1	149.2	0	0	109	K78 I80	K78-E123 HydrophobicContact CD-CG 4.22Å; K78-E123 VanDerWaalsContact CD-OE1 3.29Å; K78-E123 WeakPolarHBondContact CD-OE1 3.12Å; K78-E123 WeakPolarHBondContact CE-OE1 3.47Å; K78-E123 IonicContact NZ-OE1 3.88Å; K78-E123 PolarHBondContact NZ-OE1 2.91Å; K78-E123 IonicContact NZ-OE2 3.78Å; K78-E123 PolarHBondContact NZ-OE2 2.85Å; K78-E123 VanDerWaalsContact NZ-OE2 3.1Å; I80-E123 HydrophobicContact CG1-CG 4.28Å
124	I	82.5	Confident	87	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120	173.6	-62	180	0	0	0	108.3	I79 I101 D103 Y110 I122 S126 V129	I79-I124 PolarHBondContact N-O 3.04Å; I79-I124 PolarHBondContact O-N 2.69Å; I101-I124 HydrophobicContact CG2-CD1 3.8Å; D103-I124 HydrophobicContact CB-CG2 3.85Å; Y110-I124 HydrophobicContact CD2-CD1 4.5Å; Y110-I124 HydrophobicContact CE2-CD1 4.42Å; Y110-I124 HydrophobicContact CE2-CG1 4.2Å; I122-I124 HydrophobicContact CG2-CD1 4.3Å; I122-I124 HydrophobicContact CG2-CG1 4Å; I124-S126 PolarHBondContact O-N 2.95Å; I124-V129 HydrophobicContact CB-CG2 3.77Å; I124-V129 HydrophobicContact CD1-CB 4.46Å; I124-V129 HydrophobicContact CD1-CG1 3.84Å; I124-V129 HydrophobicContact CD1-CG2 3.73Å; I124-V129 HydrophobicContact CG1-CG2 4.27Å; I124-V129 HydrophobicContact CG2-CG2 3.81Å
125	N	75	Confident	86.8	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.134	23%	0.225	C	C	.	.			trans	-79.8	36.3	-178.8	-164.3	26.6	0	0	0	112.9	K153 R310	N125-K153 VanDerWaalsContact OD1-CE 3.23Å; N125-K153 WeakPolarHBondContact OD1-CE 3.21Å; N125-R310 PolarHBondContact ND2-NH1 2.87Å; N125-R310 VanDerWaalsContact ND2-NH1 3.14Å; N125-R310 PolarHBondContact O-NH1 3.15Å
126	S	71.9	Confident	86.8	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.049	20%	0.199	C	C	.	.	S	Bend	trans	-120.3	151.7	179.2	-177.5	0	0	0	0	109.8	I124 Q128	I124-S126 PolarHBondContact O-N 2.95Å; S126-Q128 WeakPolarHBondContact CB-O 3.28Å; S126-Q128 PolarHBondContact OG-N 3.34Å; S126-Q128 VanDerWaalsContact OG-N 3.16Å; S126-Q128 PolarHBondContact OG-O 2.89Å
127	S	76.3	Confident	86.9	Confident	24 Å²	24	39.6 Å²	39.6	17%	0.168	21%	0.209	C	C	.	.	S	Bend	trans	-80.8	-5.5	170.9	54	0	0	0	0	113	A73	A73-S127 PolarHBondContact N-O 3.44Å
128	Q	82.7	Confident	87	Confident	44 Å²	44	37.2 Å²	37.2	21%	0.206	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.3	174.2	-58.8	-169.6	60.5	0	0	111.1	L70 I71 K72 E104 S126	L70-Q128 HydrophobicContact CD1-CB 4.31Å; I71-Q128 VanDerWaalsContact O-CA 3.25Å; I71-Q128 WeakPolarHBondContact O-CA 3.41Å; K72-Q128 HydrophobicContact CG-CG 4.33Å; E104-Q128 HydrophobicContact CG-CB 4.07Å; E104-Q128 PolarHBondContact OE2-NE2 2.96Å; S126-Q128 WeakPolarHBondContact CB-O 3.28Å; S126-Q128 PolarHBondContact OG-N 3.34Å; S126-Q128 VanDerWaalsContact OG-N 3.16Å; S126-Q128 PolarHBondContact OG-O 2.89Å
129	V	89.1	Confident	87.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.2	174.5	174	0	0	0	0	110	L70 I71 I79 I81 I101 T102 I124 I131	L70-V129 WeakPolarHBondContact CA-O 3.29Å; I71-V129 HydrophobicContact CB-CB 4.41Å; I71-V129 PolarHBondContact N-O 2.97Å; I71-V129 PolarHBondContact O-N 2.54Å; I79-V129 HydrophobicContact CB-CG2 3.76Å; I79-V129 HydrophobicContact CD1-CB 4.14Å; I79-V129 HydrophobicContact CD1-CG2 3.7Å; I79-V129 HydrophobicContact CG1-CG2 4.32Å; I79-V129 HydrophobicContact CG2-CB 4.31Å; I79-V129 HydrophobicContact CG2-CG2 3.8Å; I81-V129 HydrophobicContact CD1-CB 4.43Å; I81-V129 HydrophobicContact CD1-CG1 3.56Å; I101-V129 HydrophobicContact CG2-CG1 3.79Å; T102-V129 CarbonylContact O-C 3.47Å; T102-V129 WeakPolarHBondContact O-CA 3.41Å; T102-V129 WeakPolarHBondContact O-CG1 3.16Å; I124-V129 HydrophobicContact CB-CG2 3.77Å; I124-V129 HydrophobicContact CD1-CB 4.46Å; I124-V129 HydrophobicContact CD1-CG1 3.84Å; I124-V129 HydrophobicContact CD1-CG2 3.73Å; I124-V129 HydrophobicContact CG1-CG2 4.27Å; I124-V129 HydrophobicContact CG2-CG2 3.81Å; V129-I131 HydrophobicContact CG1-CG1 4.17Å
130	Y	88.5	Confident	87.2	Confident	64 Å²	64	35 Å²	35	25%	0.251	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.3	171.4	-71.7	-99.7	0	0	0	109.9	Y69 L70 I101 T102 E104	Y69-Y130 WeakPolarHBondContact O-CA 3.36Å; L70-Y130 HydrophobicContact CD1-CD1 4.09Å; L70-Y130 HydrophobicContact CD1-CD2 3.79Å; L70-Y130 HydrophobicContact CD1-CE1 3.86Å; L70-Y130 HydrophobicContact CD1-CE2 3.49Å; L70-Y130 VanDerWaalsContact CD1-CE2 3.49Å; L70-Y130 HydrophobicContact CD1-CG 4.07Å; L70-Y130 HydrophobicContact CD2-CE1 4.11Å; L70-Y130 HydrophobicContact CG-CE1 4.41Å; I101-Y130 WeakPolarHBondContact CA-O 3.44Å; T102-Y130 PolarHBondContact N-O 2.84Å; T102-Y130 PolarHBondContact O-N 2.82Å; E104-Y130 HydrophobicContact CB-CD2 4.31Å; E104-Y130 HydrophobicContact CB-CE2 3.74Å
131	I	94.8	Very high	87.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.4	174.4	-56.6	170.4	0	0	0	106.7	I50 Y69 I71 I81 L99 L100 I101 V129 L146	I50-I131 HydrophobicContact CD1-CD1 3.81Å; Y69-I131 HydrophobicContact CD2-CB 4.22Å; Y69-I131 HydrophobicContact CD2-CG2 4.08Å; Y69-I131 WeakPolarHBondContact CD2-O 3.19Å; Y69-I131 PolarHBondContact N-O 2.9Å; Y69-I131 PolarHBondContact O-N 2.93Å; I71-I131 HydrophobicContact CD1-CD1 3.77Å; I71-I131 HydrophobicContact CG1-CD1 4.49Å; I81-I131 HydrophobicContact CD1-CD1 4.06Å; I81-I131 HydrophobicContact CD1-CG1 4.42Å; L99-I131 HydrophobicContact CD1-CG2 3.48Å; L99-I131 VanDerWaalsContact CD1-CG2 3.48Å; L100-I131 CarbonylContact O-C 3.6Å; L100-I131 VanDerWaalsContact O-CA 3.26Å; L100-I131 WeakPolarHBondContact O-CA 3.38Å; I101-I131 HydrophobicContact CG1-CG1 4.25Å; I101-I131 HydrophobicContact CG1-CG2 4.29Å; I101-I131 HydrophobicContact CG2-CG1 4.4Å; V129-I131 HydrophobicContact CG1-CG1 4.17Å; I131-L146 HydrophobicContact CD1-CD1 4.06Å; I131-L146 HydrophobicContact CD1-CD2 4.03Å; I131-L146 HydrophobicContact CG2-CD2 4.38Å
132	I	89.9	Confident	87.2	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.2	179.8	-53.2	-178.9	0	0	0	108.3	Y66 C67 Y98 L100	Y66-I132 HydrophobicContact CD2-CG2 4.39Å; Y66-I132 HydrophobicContact CE1-CG2 4.45Å; Y66-I132 HydrophobicContact CE2-CG2 3.73Å; C67-I132 WeakPolarHBondContact O-CA 3.34Å; Y98-I132 HydrophobicContact CE2-CG2 4.09Å; L100-I132 HydrophobicContact CB-CB 4.2Å; L100-I132 HydrophobicContact CD2-CB 4.5Å; L100-I132 HydrophobicContact CD2-CD1 4.25Å; L100-I132 PolarHBondContact N-O 3.01Å; L100-I132 PolarHBondContact O-N 2.99Å
133	F	93.3	Very high	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.5	175.5	173.1	-128.4	0	0	0	109.9	S52 Y61 L65 Y66 C67 Y69 L88 Y98 T135 F144	S52-F133 VanDerWaalsContact O-CD1 3.28Å; S52-F133 WeakPolarHBondContact O-CD1 3.13Å; Y61-F133 HydrophobicContact CD1-CZ 4.03Å; Y61-F133 HydrophobicContact CD2-CZ 4.28Å; Y61-F133 HydrophobicContact CE1-CZ 4.48Å; Y61-F133 AromaticContact CG-CZ 3.92Å; Y61-F133 HydrophobicContact CG-CZ 3.92Å; L65-F133 HydrophobicContact CD1-CE1 4.06Å; Y66-F133 CarbonylContact C-O 3.58Å; Y66-F133 WeakPolarHBondContact CA-O 3.42Å; C67-F133 HydrophobicContact CB-CB 4.15Å; C67-F133 HydrophobicContact CB-CD1 4.27Å; C67-F133 PolarHBondContact N-O 3.31Å; C67-F133 PolarHBondContact O-N 3.43Å; Y69-F133 HydrophobicContact CE2-CB 4.4Å; L88-F133 HydrophobicContact CD1-CD2 4.42Å; L88-F133 HydrophobicContact CD1-CE2 4.12Å; L88-F133 HydrophobicContact CD2-CD2 4.39Å; L88-F133 HydrophobicContact CD2-CE2 3.42Å; L88-F133 VanDerWaalsContact CD2-CE2 3.42Å; L88-F133 HydrophobicContact CD2-CZ 3.96Å; L88-F133 HydrophobicContact CG-CE2 4.44Å; Y98-F133 WeakPolarHBondContact O-CA 3.38Å; Y98-F133 WeakPolarHBondContact O-CD2 3.48Å; F133-T135 HydrophobicContact CD2-CG2 4.41Å; F133-T135 HydrophobicContact CE1-CG2 3.88Å; F133-T135 HydrophobicContact CE2-CG2 3.52Å; F133-T135 HydrophobicContact CZ-CG2 3.22Å; F133-F144 HydrophobicContact CB-CE1 3.6Å; F133-F144 HydrophobicContact CB-CZ 4.28Å; F133-F144 HydrophobicContact CD1-CE1 4Å; F133-F144 HydrophobicContact CD2-CD1 4.12Å; F133-F144 AromaticContact CD2-CE1 3.9Å; F133-F144 HydrophobicContact CD2-CE1 3.9Å; F133-F144 HydrophobicContact CG-CD1 4.22Å; F133-F144 AromaticContact CG-CE1 3.56Å; F133-F144 HydrophobicContact CG-CE1 3.56Å
134	G	89.9	Confident	87.5	Confident	2 Å²	2	31.4 Å²	31.4	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.3	178.3	0	0	0	0	0	111.3	L65 D97 Y98	L65-G134 CarbonylContact O-C 3.5Å; L65-G134 VanDerWaalsContact O-CA 3.31Å; L65-G134 WeakPolarHBondContact O-CA 3.29Å; D97-G134 WeakPolarHBondContact CA-O 3.49Å; Y98-G134 PolarHBondContact N-O 3.08Å; Y98-G134 PolarHBondContact O-N 2.74Å
135	T	88.2	Confident	88.2	Confident	14 Å²	14	32.7 Å²	32.7	9%	0.086	17%	0.17	C	C	.	.			trans	-131.8	152.3	173.5	69.5	0	0	0	0	112.6	Y61 T62 N64 L65 D97 F133	Y61-T135 HydrophobicContact CD2-CG2 3.49Å; Y61-T135 VanDerWaalsContact CD2-CG2 3.49Å; Y61-T135 HydrophobicContact CE2-CG2 3.57Å; Y61-T135 HydrophobicContact CG-CG2 4.24Å; T62-T135 PolarHBondContact O-OG1 2.81Å; N64-T135 WeakPolarHBondContact CA-O 3.4Å; N64-T135 PolarHBondContact N-OG1 3.28Å; L65-T135 HydrophobicContact CB-CG2 4.26Å; L65-T135 WeakPolarHBondContact CB-OG1 3.27Å; L65-T135 PolarHBondContact N-OG1 2.87Å; L65-T135 PolarHBondContact O-N 2.96Å; D97-T135 WeakPolarHBondContact OD1-CA 3.29Å; D97-T135 VanDerWaalsContact OD1-CB 3.26Å; D97-T135 WeakPolarHBondContact OD1-CB 3.39Å; F133-T135 HydrophobicContact CD2-CG2 4.41Å; F133-T135 HydrophobicContact CE1-CG2 3.88Å; F133-T135 HydrophobicContact CE2-CG2 3.52Å; F133-T135 HydrophobicContact CZ-CG2 3.22Å
136	D	85.9	Confident	89.2	Confident	31 Å²	31	31.5 Å²	31.5	17%	0.166	16%	0.164	C	C	.	.			trans	-92.6	-158.5	176.5	84.3	-12.9	0	0	0	112.6	S63 N64 F96 D97 A138	S63-D136 CarbonylContact C-O 3.51Å; S63-D136 WeakPolarHBondContact CA-O 3.46Å; S63-D136 WeakPolarHBondContact CB-O 3.36Å; N64-D136 PolarHBondContact N-O 3.2Å; F96-D136 HydrophobicContact CB-CB 4.16Å; F96-D136 WeakPolarHBondContact CB-OD2 3.29Å; D97-D136 PolarHBondContact OD1-N 3.26Å; D136-A138 PolarHBondContact OD1-N 2.82Å
137	D	89.3	Confident	90.4	Very high	117 Å²	117	33.6 Å²	33.6	63%	0.626	17%	0.173	S	C	*	.	S	Bend	trans	-85.2	-2.8	-178.3	69	-8.9	0	0	0	115.4	S63	S63-D137 PolarHBondContact OG-O 2.87Å; S63-D137 VanDerWaalsContact OG-O 3.06Å
138	A	87.2	Confident	91.5	Very high	34 Å²	34	32.5 Å²	32.5	28%	0.281	17%	0.165	S	C	.	.	S	Bend	trans	-139.7	-172	-169.9	0	0	0	0	0	114.8	D136 H140	D136-A138 PolarHBondContact OD1-N 2.82Å; A138-H140 PolarHBondContact O-CE1 2.58Å; A138-H140 VanDerWaalsContact O-CE1 3.26Å; A138-H140 PolarHBondContact O-N 3.49Å; A138-H140 VanDerWaalsContact O-N 3.09Å; A138-H140 PolarHBondContact O-ND1 2.83Å
139	N	87.9	Confident	92.2	Very high	103 Å²	103	33.9 Å²	33.9	55%	0.551	17%	0.171	S	C	*	.			trans	47.6	44.8	166.1	-65	-34.7	0	0	0	117.9	Y61 E89 G141	Y61-N139 PolarHBondContact OH-O 3.18Å; E89-N139 HydrophobicContact CB-CB 3.99Å; E89-N139 VanDerWaalsContact CD-CB 3.48Å; E89-N139 HydrophobicContact CG-CB 3.71Å; E89-N139 PolarHBondContact OE1-ND2 3.1Å; N139-G141 PolarHBondContact O-N 3.26Å
140	H	90.4	Very high	92.2	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.287	18%	0.177	S	C	.	.			trans	-63.5	125.3	-177.9	-43.1	-45.5	0	0	0	114.4	K60 Y61 S63 A138	K60-H140 HydrophobicContact CB-CB 4.02Å; K60-H140 HydrophobicContact CD-CB 4.41Å; K60-H140 VanDerWaalsContact CD-O 3.26Å; K60-H140 WeakPolarHBondContact CD-O 3.47Å; K60-H140 WeakPolarHBondContact CE-O 3.25Å; K60-H140 PolarHBondContact NZ-O 3.27Å; Y61-H140 HydrophobicContact CD2-CB 4.29Å; Y61-H140 HydrophobicContact CE2-CB 4.18Å; Y61-H140 VanDerWaalsContact O-CB 3.29Å; Y61-H140 WeakPolarHBondContact O-CB 3.07Å; Y61-H140 VanDerWaalsContact O-CG 3.31Å; S63-H140 PolarHBondContact OG-CE1 2.62Å; S63-H140 PolarHBondContact OG-NE2 3.4Å; A138-H140 PolarHBondContact O-CE1 2.58Å; A138-H140 VanDerWaalsContact O-CE1 3.26Å; A138-H140 PolarHBondContact O-N 3.49Å; A138-H140 VanDerWaalsContact O-N 3.09Å; A138-H140 PolarHBondContact O-ND1 2.83Å
141	G	91.1	Very high	92.1	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	18%	0.18	C	C	.	.			trans	-100.6	-169.9	166.3	0	0	0	0	0	113.3	K60 Y61 D87 N139 G143	K60-G141 VanDerWaalsContact CA-O 3.24Å; K60-G141 WeakPolarHBondContact CA-O 3.3Å; K60-G141 WeakPolarHBondContact CB-O 3.24Å; K60-G141 WeakPolarHBondContact CG-O 3.17Å; Y61-G141 WeakPolarHBondContact CD1-O 3.34Å; Y61-G141 VanDerWaalsContact CE1-CA 3.44Å; Y61-G141 VanDerWaalsContact CE1-O 3.28Å; Y61-G141 WeakPolarHBondContact CE1-O 3.26Å; Y61-G141 PolarHBondContact N-O 3.03Å; Y61-G141 VanDerWaalsContact N-O 3.14Å; Y61-G141 PolarHBondContact OH-N 3.14Å; D87-G141 CarbonylContact O-C 3.58Å; D87-G141 WeakPolarHBondContact O-CA 3.18Å; N139-G141 PolarHBondContact O-N 3.26Å; G141-G143 VanDerWaalsContact C-N 3.29Å
142	K	93.6	Very high	91.4	Very high	121 Å²	121	39.3 Å²	39.3	53%	0.526	20%	0.201	S	C	.	.			trans	-71.8	-22.9	175.1	-65.3	169.2	179.8	-179.4	0	112.9	Y56 D87	Y56-K142 WeakPolarHBondContact CD2-O 3.23Å; Y56-K142 WeakPolarHBondContact CE2-O 3.02Å; D87-K142 HydrophobicContact CB-CB 4.03Å; D87-K142 PolarHBondContact O-N 2.94Å; D87-K142 WeakPolarHBondContact OD2-CB 2.92Å; D87-K142 VanDerWaalsContact OD2-CG 3.27Å; D87-K142 WeakPolarHBondContact OD2-CG 3.22Å; D87-K142 PolarHBondContact OD2-N 3.29Å
143	G	94.3	Very high	90.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98	-146.4	-175.5	0	0	0	0	0	111.4	D87 G141	D87-G143 PolarHBondContact N-O 2.96Å; D87-G143 PolarHBondContact O-N 2.84Å; G141-G143 VanDerWaalsContact C-N 3.29Å
144	F	95.3	Very high	88.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.1	175.6	70.7	-91.3	0	0	0	112.8	I50 S52 Y56 Y69 E85 L86 L99 F133 L146	I50-F144 HydrophobicContact CG2-CE2 4.15Å; S52-F144 VanDerWaalsContact CA-CZ 3.47Å; S52-F144 VanDerWaalsContact CB-CD1 3.45Å; S52-F144 VanDerWaalsContact CB-CE1 3.42Å; S52-F144 PolarHBondContact N-O 2.97Å; S52-F144 PolarHBondContact OG-N 2.9Å; S52-F144 PolarHBondContact OG-O 3.23Å; Y56-F144 WeakPolarHBondContact CE2-O 3.49Å; Y69-F144 HydrophobicContact CE2-CZ 4Å; E85-F144 CarbonylContact O-C 3.59Å; E85-F144 WeakPolarHBondContact O-CA 3.3Å; E85-F144 WeakPolarHBondContact O-CB 3.41Å; L86-F144 HydrophobicContact CD1-CB 4.02Å; L99-F144 HydrophobicContact CD1-CD1 3.94Å; L99-F144 HydrophobicContact CD1-CD2 4.43Å; L99-F144 HydrophobicContact CD1-CE1 3.76Å; L99-F144 HydrophobicContact CD1-CE2 4.25Å; L99-F144 HydrophobicContact CD1-CG 4.3Å; L99-F144 HydrophobicContact CD1-CZ 3.91Å; L99-F144 HydrophobicContact CD2-CB 4.23Å; L99-F144 HydrophobicContact CD2-CD1 4.26Å; L99-F144 HydrophobicContact CD2-CD2 4.34Å; L99-F144 HydrophobicContact CD2-CG 4.01Å; L99-F144 HydrophobicContact CG-CD1 4.5Å; F133-F144 HydrophobicContact CB-CE1 3.6Å; F133-F144 HydrophobicContact CB-CZ 4.28Å; F133-F144 HydrophobicContact CD1-CE1 4Å; F133-F144 HydrophobicContact CD2-CD1 4.12Å; F133-F144 AromaticContact CD2-CE1 3.9Å; F133-F144 HydrophobicContact CD2-CE1 3.9Å; F133-F144 HydrophobicContact CG-CD1 4.22Å; F133-F144 AromaticContact CG-CE1 3.56Å; F133-F144 HydrophobicContact CG-CE1 3.56Å; F144-L146 HydrophobicContact CD2-CD2 3.73Å; F144-L146 HydrophobicContact CD2-CG 4.05Å; F144-L146 HydrophobicContact CE2-CD2 3.62Å; F144-L146 HydrophobicContact CE2-CG 4.02Å
145	L	96.6	Very high	86.4	Confident	28 Å²	28	51.6 Å²	51.6	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.6	163.1	178.8	68.7	0	0	0	107.6	L49 K51 Y56 E84 E85	L49-L145 HydrophobicContact CD2-CD1 4.27Å; K51-L145 HydrophobicContact CG-CD1 3.67Å; Y56-L145 HydrophobicContact CE1-CB 3.94Å; Y56-L145 HydrophobicContact CE1-CD1 4.36Å; Y56-L145 HydrophobicContact CE1-CD2 4.39Å; Y56-L145 HydrophobicContact CE1-CG 4.48Å; Y56-L145 HydrophobicContact CE2-CB 4.46Å; Y56-L145 WeakPolarHBondContact OH-CB 3.33Å; E84-L145 HydrophobicContact CB-CB 4.48Å; E84-L145 HydrophobicContact CB-CD2 4.31Å; E84-L145 HydrophobicContact CB-CG 4.29Å; E84-L145 WeakPolarHBondContact CB-O 3.1Å; E84-L145 PolarHBondContact N-O 3.27Å; E85-L145 HydrophobicContact CB-CB 4.12Å; E85-L145 PolarHBondContact N-O 3.19Å; E85-L145 VanDerWaalsContact N-O 3.07Å; E85-L145 PolarHBondContact O-N 3.18Å
146	L	97.3	Very high	84.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.1	173.4	64.9	84.2	0	0	0	110.3	L49 I50 I81 H82 I83 L99 I101 I131 F144	L49-L146 WeakPolarHBondContact CA-O 3.38Å; I50-L146 HydrophobicContact CB-CD1 3.65Å; I50-L146 HydrophobicContact CB-CG 4.03Å; I50-L146 HydrophobicContact CD1-CD1 4.09Å; I50-L146 HydrophobicContact CG1-CD1 4Å; I50-L146 PolarHBondContact N-O 3.02Å; I50-L146 PolarHBondContact O-N 3.37Å; I81-L146 HydrophobicContact CG2-CB 4.26Å; I81-L146 HydrophobicContact CG2-CD1 4.08Å; I81-L146 HydrophobicContact CG2-CD2 4.23Å; I81-L146 HydrophobicContact CG2-CG 4.43Å; H82-L146 CarbonylContact O-C 3.56Å; H82-L146 VanDerWaalsContact O-CA 3.24Å; H82-L146 WeakPolarHBondContact O-CA 3.47Å; H82-L146 WeakPolarHBondContact O-CB 3.05Å; I83-L146 HydrophobicContact CG1-CB 4.49Å; L99-L146 HydrophobicContact CD2-CD2 4.49Å; I101-L146 HydrophobicContact CD1-CD2 4.42Å; I131-L146 HydrophobicContact CD1-CD1 4.06Å; I131-L146 HydrophobicContact CD1-CD2 4.03Å; I131-L146 HydrophobicContact CG2-CD2 4.38Å; F144-L146 HydrophobicContact CD2-CD2 3.73Å; F144-L146 HydrophobicContact CD2-CG 4.05Å; F144-L146 HydrophobicContact CE2-CD2 3.62Å; F144-L146 HydrophobicContact CE2-CG 4.02Å
147	H	97.6	Very high	81.6	Confident	51 Å²	51	62.1 Å²	62.1	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.1	166.1	76.7	-100.2	0	0	0	109.6	G48 L49 H82 E84	G48-H147 CarbonylContact O-C 3.45Å; G48-H147 VanDerWaalsContact O-CA 3.25Å; G48-H147 WeakPolarHBondContact O-CA 3.28Å; L49-H147 HydrophobicContact CD2-CB 3.59Å; L49-H147 HydrophobicContact CG-CB 4.38Å; H82-H147 WeakPolarHBondContact CB-CE1 3.36Å; H82-H147 WeakPolarHBondContact CB-NE2 3.35Å; H82-H147 AromaticContact CD2-CD2 3.68Å; H82-H147 AromaticContact CD2-CE1 3.85Å; H82-H147 AromaticContact CD2-NE2 3.17Å; H82-H147 PolarHBondContact CD2-NE2 2.91Å; H82-H147 AromaticContact CG-CE1 3.51Å; H82-H147 AromaticContact CG-NE2 3.33Å; H82-H147 VanDerWaalsContact CG-NE2 3.33Å; H82-H147 PolarHBondContact N-O 3.03Å; H82-H147 AromaticContact NE2-NE2 3.83Å; H82-H147 PolarHBondContact O-N 2.74Å; E84-H147 IonicContact OE1-CE1 2.9Å; E84-H147 PolarHBondContact OE1-CE1 3.5Å; E84-H147 IonicContact OE1-ND1 3.77Å; E84-H147 PolarHBondContact OE1-ND1 3.42Å
148	Y	98	Very high	79	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.7	175.8	77.2	-92.4	0	0	0	110.4	Y43 N45 S47 G48 I50 I71 I80 T150	Y43-Y148 HydrophobicContact CD1-CE1 4.12Å; Y43-Y148 HydrophobicContact CG-CE1 4.24Å; N45-Y148 WeakPolarHBondContact O-CE2 3.3Å; N45-Y148 PolarHBondContact O-OH 3.46Å; S47-Y148 WeakPolarHBondContact CA-O 3.35Å; S47-Y148 WeakPolarHBondContact CB-O 3.13Å; G48-Y148 PolarHBondContact N-O 2.96Å; G48-Y148 VanDerWaalsContact N-O 3.11Å; G48-Y148 WeakPolarHBondContact O-CD1 3.39Å; G48-Y148 PolarHBondContact O-N 3.1Å; I50-Y148 HydrophobicContact CD1-CD1 4.07Å; I50-Y148 HydrophobicContact CD1-CE1 4.28Å; I50-Y148 HydrophobicContact CG1-CD1 4.27Å; I50-Y148 HydrophobicContact CG1-CE1 4.42Å; I71-Y148 HydrophobicContact CD1-CD1 3.66Å; I71-Y148 HydrophobicContact CD1-CD2 4.06Å; I71-Y148 HydrophobicContact CD1-CE1 4.29Å; I71-Y148 HydrophobicContact CD1-CG 3.54Å; I71-Y148 HydrophobicContact CG1-CD1 4.02Å; I71-Y148 HydrophobicContact CG1-CD2 4.42Å; I71-Y148 HydrophobicContact CG1-CE1 4.14Å; I71-Y148 HydrophobicContact CG1-CG 4.18Å; I71-Y148 HydrophobicContact CG2-CD2 3.71Å; I71-Y148 HydrophobicContact CG2-CE2 3.58Å; I71-Y148 HydrophobicContact CG2-CG 4.3Å; I80-Y148 CarbonylContact O-C 3.48Å; I80-Y148 WeakPolarHBondContact O-CA 3.29Å; Y148-T150 HydrophobicContact CD2-CG2 4.43Å; Y148-T150 HydrophobicContact CE2-CG2 4.23Å
149	E	96.9	Very high	76.4	Confident	73 Å²	73	67.2 Å²	67.2	34%	0.341	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.4	171.2	62.3	-172.4	154.8	0	0	110	K46 I80 H82 I151	K46-E149 CarbonylContact O-C 3.57Å; K46-E149 WeakPolarHBondContact O-CA 3.45Å; I80-E149 HydrophobicContact CB-CG 3.89Å; I80-E149 PolarHBondContact N-O 3.03Å; I80-E149 PolarHBondContact O-N 2.8Å; H82-E149 IonicContact CD2-OE1 3.97Å; H82-E149 IonicContact CE1-OE1 2.8Å; H82-E149 IonicContact NE2-OE1 3.84Å; H82-E149 PolarHBondContact NE2-OE1 3.35Å; E149-I151 HydrophobicContact CG-CG1 4.31Å
150	T	91	Very high	73.9	Confident	18 Å²	18	67.2 Å²	67.2	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.5	173.2	67.9	0	0	0	0	107.6	K46 A73 K78 I79 Y148	K46-T150 VanDerWaalsContact CA-OG1 3.28Å; K46-T150 WeakPolarHBondContact CA-OG1 3.48Å; K46-T150 PolarHBondContact O-N 3.47Å; K46-T150 PolarHBondContact O-OG1 2.57Å; K46-T150 VanDerWaalsContact O-OG1 3.1Å; A73-T150 HydrophobicContact CB-CG2 3.63Å; K78-T150 CarbonylContact O-C 3.57Å; K78-T150 WeakPolarHBondContact O-CA 3.27Å; I79-T150 HydrophobicContact CG1-CG2 4.28Å; Y148-T150 HydrophobicContact CD2-CG2 4.43Å; Y148-T150 HydrophobicContact CE2-CG2 4.23Å
151	I	86.4	Confident	71.5	Confident	61 Å²	61	72.4 Å²	72.4	31%	0.313	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128	176.3	-58.8	-168.3	0	0	0	108.2	Y77 K78 I80 E149 K153	Y77-I151 CarbonylContact C-O 3.54Å; Y77-I151 VanDerWaalsContact CA-O 3.24Å; Y77-I151 WeakPolarHBondContact CA-O 3.48Å; Y77-I151 VanDerWaalsContact CD1-C 3.44Å; K78-I151 HydrophobicContact CG-CB 4.03Å; K78-I151 PolarHBondContact N-O 2.87Å; K78-I151 PolarHBondContact O-N 3.29Å; I80-I151 HydrophobicContact CD1-CD1 3.4Å; I80-I151 HydrophobicContact CD1-CG1 4.19Å; I80-I151 HydrophobicContact CG1-CD1 4.14Å; I80-I151 HydrophobicContact CG1-CG1 4.42Å; E149-I151 HydrophobicContact CG-CG1 4.31Å; I151-K153 PolarHBondContact O-N 2.81Å
152	E	78.3	Confident	69.1	Low	98 Å²	98	81.6 Å²	81.6	46%	0.458	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124	171.6	-168.6	171.1	-169.6	0	0	108.6	N76 Y77	N76-E152 PolarHBondContact ND2-OE1 3.27Å; Y77-E152 HydrophobicContact CD1-CB 4.09Å; Y77-E152 VanDerWaalsContact CD1-N 3.28Å; Y77-E152 HydrophobicContact CD2-CB 4.49Å; Y77-E152 HydrophobicContact CD2-CG 4.41Å; Y77-E152 HydrophobicContact CE1-CB 3.68Å; Y77-E152 HydrophobicContact CE1-CG 4.4Å; Y77-E152 HydrophobicContact CE2-CB 4.09Å; Y77-E152 HydrophobicContact CE2-CG 3.91Å; Y77-E152 HydrophobicContact CG-CB 4.48Å
153	K	66.6	Low	68	Low	23 Å²	23	78.2 Å²	78.2	10%	0.1	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-63	136.5	169.1	-61.1	165.8	-179.3	160.2	0	106.5	F75 N76 Y77 K78 N125 I151 S155	F75-K153 PolarHBondContact O-NZ 3.08Å; F75-K153 VanDerWaalsContact O-NZ 3.11Å; N76-K153 WeakPolarHBondContact O-CA 3.43Å; N76-K153 WeakPolarHBondContact O-CB 3.38Å; N76-K153 VanDerWaalsContact O-CG 3.27Å; N76-K153 WeakPolarHBondContact O-CG 3.05Å; N76-K153 PolarHBondContact O-N 2.52Å; Y77-K153 VanDerWaalsContact C-CE 3.49Å; Y77-K153 WeakPolarHBondContact O-CE 3.24Å; Y77-K153 PolarHBondContact O-NZ 3.39Å; Y77-K153 VanDerWaalsContact O-NZ 3.15Å; K78-K153 HydrophobicContact CB-CG 4.34Å; N125-K153 VanDerWaalsContact OD1-CE 3.23Å; N125-K153 WeakPolarHBondContact OD1-CE 3.21Å; I151-K153 PolarHBondContact O-N 2.81Å; K153-S155 PolarHBondContact O-N 3.43Å
154	E	58.9	Low	67.6	Low	147 Å²	147	80.2 Å²	80.2	69%	0.687	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-51.9	116.9	178.7	-71	-173.7	168.6	0	0	110.1	L156	E154-L156 PolarHBondContact O-N 3.48Å
155	S	43	Very low	67.2	Low	97 Å²	97	80.2 Å²	80.2	68%	0.678	41%	0.414	S	S	*	.			trans	-68.8	106.5	174.6	48.3	0	0	0	0	108.5	K153 K157	K153-S155 PolarHBondContact O-N 3.43Å; S155-K157 PolarHBondContact O-N 2.86Å
156	L	42.5	Very low	66.6	Low	79 Å²	79	81.1 Å²	81.1	41%	0.414	42%	0.419	S	S	.	.			trans	-73.9	134.1	175.5	-81.9	-153.7	0	0	0	111.9	E154 T384 D385	E154-L156 PolarHBondContact O-N 3.48Å; L156-T384 WeakPolarHBondContact CB-O 3.2Å; L156-T384 VanDerWaalsContact CD1-CB 3.4Å; L156-T384 WeakPolarHBondContact CD1-O 3.32Å; L156-T384 WeakPolarHBondContact CD1-OG1 3.41Å; L156-T384 VanDerWaalsContact CG-C 3.45Å; L156-T384 VanDerWaalsContact CG-CB 3.49Å; L156-T384 WeakPolarHBondContact CG-O 3.26Å; L156-D385 HydrophobicContact CD1-CB 4.47Å
157	K	32.1	Very low	65.8	Low	188 Å²	188	81.8 Å²	81.8	82%	0.817	42%	0.424	S	S	*	.			trans	-57.5	124.4	167.6	-64.4	-178.7	-179.5	176.2	0	107.7	S155 N159	S155-K157 PolarHBondContact O-N 2.86Å; K157-N159 PolarHBondContact O-N 3.1Å
158	P	34.5	Very low	64.3	Low	111 Å²	111	83.6 Å²	83.6	72%	0.721	44%	0.435	S	S	*	.			trans	-56.7	115.9	175.8	21.3	-30.4	0	0	0	107.8	S160	P158-S160 PolarHBondContact O-N 2.82Å
159	N	31.7	Very low	62.1	Low	146 Å²	146	88 Å²	88	78%	0.781	46%	0.456	S	S	*	.			trans	-57.5	126.4	174.8	-112.6	-9.7	0	0	0	107.9	K157	K157-N159 PolarHBondContact O-N 3.1Å
160	S	36	Very low	59.5	Low	104 Å²	104	89 Å²	89	73%	0.727	46%	0.459	S	S	*	.	S	Bend	trans	-60.5	138.9	-177.1	60.8	0	0	0	0	111.1	P158	P158-S160 PolarHBondContact O-N 2.82Å
161	F	39.2	Very low	56.7	Low	170 Å²	170	95.3 Å²	95.3	75%	0.746	49%	0.492	S	S	*	.	S	Bend	trans	70.6	104.1	161.9	-108.2	-112.2	0	0	0	115.9
162	Y	41.9	Very low	54.1	Low	197 Å²	197	97.3 Å²	97.3	77%	0.773	50%	0.503	S	S	*	.			trans	64.9	69.2	175.6	-48.1	-72.1	0	0	0	115.9
163	S	70.3	Confident	51.7	Low	51 Å²	51	100 Å²	100	36%	0.357	52%	0.521	S	S	.	.			trans	-104.5	121.2	172.1	-164.9	0	0	0	0	110.9
164	C	84.7	Confident	49.8	Very low	42 Å²	42	102 Å²	102	28%	0.284	55%	0.547	S	S	.	.	S	Bend	trans	-74.6	171.2	163.7	56.4	0	0	0	0	110.1	L166 P294 C296	C164-L166 PolarHBondContact O-N 3.18Å; C164-L166 VanDerWaalsContact O-N 3.14Å; C164-P294 CarbonylContact C-O 3.43Å; C164-P294 VanDerWaalsContact CA-O 3.24Å; C164-P294 WeakPolarHBondContact CA-O 2.84Å; C164-P294 HydrophobicContact CB-CB 4.46Å; C164-P294 HydrophobicContact CB-CG 4.17Å; C164-C296 HydrophobicContact CB-CB 4Å; C164-C296 WeakPolarHBondContact CB-SG 3.39Å; C164-C296 PolarHBondContact O-SG 3.11Å; C164-C296 WeakPolarHBondContact SG-CA 3.35Å; C164-C296 WeakPolarHBondContact SG-CB 3.38Å; C164-C296 CovalentContact SG-SG 2.05Å; C164-C296 PolarHBondContact SG-SG 3.46Å
165	G	87.4	Confident	48.5	Very low	0 Å²	0	103.6 Å²	103.6	0%	0	55%	0.553	C	S	.	*	S	Bend	trans	72.3	8.5	169.6	0	0	0	0	0	115.2	A167 P294 W388	G165-A167 PolarHBondContact O-N 3.39Å; G165-P294 PolarHBondContact N-O 3.36Å; G165-W388 WeakPolarHBondContact CA-O 3.28Å; G165-W388 PolarHBondContact O-N 2.48Å
166	L	84	Confident	47.6	Very low	47 Å²	47	106.4 Å²	106.4	25%	0.246	56%	0.555	C	S	.	*			trans	-84.9	100.8	176.5	-63.8	-179.5	0	0	0	110.7	C164 R293	C164-L166 PolarHBondContact O-N 3.18Å; C164-L166 VanDerWaalsContact O-N 3.14Å; L166-R293 WeakPolarHBondContact O-CD 2.79Å
167	A	81.3	Confident	47.2	Very low	14 Å²	14	108.1 Å²	108.1	12%	0.116	57%	0.573	C	S	.	*			trans	-79.7	162.2	164.1	0	0	0	0	0	110.6	G165 Q169 Q196 W199	G165-A167 PolarHBondContact O-N 3.39Å; A167-Q169 PolarHBondContact O-N 3.08Å; A167-Q196 WeakPolarHBondContact CB-O 3.46Å; A167-W199 HydrophobicContact CB-CH2 3.91Å; A167-W199 HydrophobicContact CB-CZ3 4.38Å
168	L	65.1	Low	46.9	Very low	88 Å²	88	105.3 Å²	105.3	46%	0.461	57%	0.566	S	S	.	*			trans	-60.1	106.6	165.2	-75.1	173.4	0	0	0	108.6	G195	L168-G195 WeakPolarHBondContact CD1-O 3.06Å
169	Q	51.4	Low	46.6	Very low	95 Å²	95	107.2 Å²	107.2	44%	0.444	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-79.9	134.5	166.6	-69.9	-179.1	14.6	0	0	107.7	F75 A167 N171 H386	F75-Q169 HydrophobicContact CE2-CB 3.86Å; F75-Q169 HydrophobicContact CE2-CG 4.25Å; F75-Q169 HydrophobicContact CZ-CB 4.08Å; A167-Q169 PolarHBondContact O-N 3.08Å; Q169-N171 PolarHBondContact O-N 2.8Å; Q169-H386 VanDerWaalsContact NE2-CB 3.29Å
170	F	43.6	Very low	46.5	Very low	92 Å²	92	107.2 Å²	107.2	40%	0.404	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-62.3	129.7	178.3	-49.8	-117.7	0	0	0	108.2	F75 R193	F75-F170 HydrophobicContact CB-CD2 4.35Å; F75-F170 HydrophobicContact CD1-CB 3.57Å; F75-F170 AromaticContact CD1-CD2 3.67Å; F75-F170 HydrophobicContact CD1-CD2 3.67Å; F75-F170 AromaticContact CD1-CG 3.88Å; F75-F170 HydrophobicContact CD1-CG 3.88Å; F75-F170 AromaticContact CD2-CD2 4Å; F75-F170 HydrophobicContact CD2-CD2 4Å; F75-F170 HydrophobicContact CE1-CB 3.36Å; F75-F170 HydrophobicContact CE1-CD2 4.14Å; F75-F170 HydrophobicContact CE1-CG 4.14Å; F75-F170 WeakPolarHBondContact CE1-O 3.33Å; F75-F170 HydrophobicContact CE2-CD2 4.36Å; F75-F170 HydrophobicContact CG-CB 4.41Å; F75-F170 AromaticContact CG-CD2 3.66Å; F75-F170 HydrophobicContact CG-CD2 3.66Å; F75-F170 HydrophobicContact CG-CE2 4.38Å; F75-F170 HydrophobicContact CG-CG 4.34Å; F75-F170 HydrophobicContact CZ-CB 3.96Å; F75-F170 HydrophobicContact CZ-CD2 4.45Å; F75-F170 WeakPolarHBondContact CZ-O 3.3Å; F170-R193 VanDerWaalsContact CE1-NH1 3.26Å
171	N	31.3	Very low	46	Very low	151 Å²	151	109.9 Å²	109.9	81%	0.807	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-90.3	124.7	146.1	-80.5	-22.4	0	0	0	103.9	Q169 D173	Q169-N171 PolarHBondContact O-N 2.8Å; N171-D173 PolarHBondContact O-N 3.24Å
172	D	31.7	Very low	45.3	Very low	103 Å²	103	110 Å²	110	55%	0.551	58%	0.575	S	S	*	*			trans	-66.2	78.1	177.3	-168	5.8	0	0	0	109.3	S74 G174	S74-D172 PolarHBondContact OG-OD2 3.49Å; D172-G174 PolarHBondContact O-N 2.93Å; D172-G174 VanDerWaalsContact O-N 3.09Å; D172-G174 PolarHBondContact OD1-N 3.2Å
173	D	28.8	Very low	44.6	Very low	156 Å²	156	107.5 Å²	107.5	83%	0.834	57%	0.57	S	S	*	*			trans	-79	67.8	156.3	-81.2	-14.7	0	0	0	107.5	N171 F175	N171-D173 PolarHBondContact O-N 3.24Å; D173-F175 PolarHBondContact O-N 3.02Å
174	G	26.6	Very low	42.3	Very low	63 Å²	63	109.6 Å²	109.6	65%	0.649	59%	0.585	S	S	*	*			trans	49.3	38.4	148.7	0	0	0	0	0	118.4	D172 E176	D172-G174 PolarHBondContact O-N 2.93Å; D172-G174 VanDerWaalsContact O-N 3.09Å; D172-G174 PolarHBondContact OD1-N 3.2Å; G174-E176 PolarHBondContact O-N 2.9Å
175	F	30.8	Very low	39.5	Very low	181 Å²	181	117.2 Å²	117.2	79%	0.794	61%	0.608	S	S	*	*			trans	-89.9	88	169.9	-135.3	-91.4	0	0	0	109.5	D173 C177	D173-F175 PolarHBondContact O-N 3.02Å; F175-C177 PolarHBondContact O-N 3.42Å
176	E	24.5	Very low	36.7	Very low	156 Å²	156	120.8 Å²	120.8	73%	0.729	63%	0.626	S	S	*	*			trans	-55.6	105.4	161.6	-84.3	179.3	158	0	0	108.2	G174 N178	G174-E176 PolarHBondContact O-N 2.9Å; E176-N178 PolarHBondContact O-N 2.89Å
177	C	34	Very low	34.6	Very low	116 Å²	116	121.1 Å²	121.1	78%	0.784	63%	0.627	S	S	*	*			trans	-67.8	83.8	162.5	-67	0	0	0	0	107.9	F175 D179	F175-C177 PolarHBondContact O-N 3.42Å; C177-D179 PolarHBondContact O-N 2.8Å
178	N	25.6	Very low	33.3	Very low	129 Å²	129	121.2 Å²	121.2	69%	0.69	63%	0.63	S	S	*	*			trans	-67.8	116.3	160.9	-79	-41	0	0	0	108	E176	E176-N178 PolarHBondContact O-N 2.89Å
179	D	29.4	Very low	33.5	Very low	150 Å²	150	117.3 Å²	117.3	80%	0.802	61%	0.611	S	S	*	*			trans	55.2	90.6	151.2	-152.4	19.3	0	0	0	117.1	C177	C177-D179 PolarHBondContact O-N 2.8Å
180	I	29.5	Very low	34.7	Very low	147 Å²	147	118.1 Å²	118.1	75%	0.754	62%	0.615	S	S	*	*			trans	-130.4	120.3	151.5	-55.5	179.6	0	0	0	106.9
181	Q	25.5	Very low	36.5	Very low	160 Å²	160	118 Å²	118	75%	0.748	62%	0.617	S	S	*	*			trans	-41.9	144.3	172	-63.3	-174.9	-29.9	0	0	110.9	E183	Q181-E183 PolarHBondContact O-N 3.27Å
182	M	24.8	Very low	39.1	Very low	173 Å²	173	111.1 Å²	111.1	85%	0.852	58%	0.581	S	S	*	*			trans	-57.5	86.3	169.5	-73.1	170.9	78.9	0	0	109.4	S184	M182-S184 PolarHBondContact O-N 2.96Å; M182-S184 VanDerWaalsContact O-N 3.09Å
183	E	25.5	Very low	41.4	Very low	143 Å²	143	113.4 Å²	113.4	67%	0.668	58%	0.582	S	S	*	*			trans	-68.8	110	172.6	-80.2	-176.1	167.1	0	0	108.1	Q181	Q181-E183 PolarHBondContact O-N 3.27Å
184	S	23.5	Very low	43.9	Very low	95 Å²	95	108.6 Å²	108.6	66%	0.664	56%	0.559	S	S	*	*			trans	10.3	113	156.9	60.2	0	0	0	0	116.5	M182 I186	M182-S184 PolarHBondContact O-N 2.96Å; M182-S184 VanDerWaalsContact O-N 3.09Å; S184-I186 VanDerWaalsContact C-N 3.31Å; S184-I186 WeakPolarHBondContact O-CG1 2.92Å; S184-I186 PolarHBondContact O-N 3.21Å
185	R	24.7	Very low	46.5	Very low	203 Å²	203	105.9 Å²	105.9	77%	0.766	53%	0.532	S	S	*	.			trans	23.7	61.8	138.7	-160.5	-179.4	-171.8	154.3	3.4	115.2	I187	R185-I187 PolarHBondContact O-N 3.47Å
186	I	29.7	Very low	49.1	Very low	75 Å²	75	99 Å²	99	39%	0.385	50%	0.502	S	S	.	.			trans	-73.7	105.3	-177.8	-53.3	-178.3	0	0	0	108.8	S184 G188 G189	S184-I186 VanDerWaalsContact C-N 3.31Å; S184-I186 WeakPolarHBondContact O-CG1 2.92Å; S184-I186 PolarHBondContact O-N 3.21Å; I186-G188 PolarHBondContact O-N 2.93Å; I186-G189 WeakPolarHBondContact CG2-O 3.39Å
187	I	40.3	Very low	52.4	Low	53 Å²	53	92.2 Å²	92.2	27%	0.272	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	115.6	163.9	-57.3	175.4	0	0	0	105.9	R185 E320	R185-I187 PolarHBondContact O-N 3.47Å; I187-E320 HydrophobicContact CB-CG 4.49Å
188	G	52.7	Low	55.1	Low	17 Å²	17	86.8 Å²	86.8	18%	0.175	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	117	8.6	178.1	0	0	0	0	0	116.6	I186	I186-G188 PolarHBondContact O-N 2.93Å
189	G	68.7	Low	58.4	Low	6 Å²	6	80.7 Å²	80.7	6%	0.062	40%	0.4	C	S	.	.			trans	82.3	-175	172.5	0	0	0	0	0	115.6	I186 H330	I186-G189 WeakPolarHBondContact CG2-O 3.39Å; G189-H330 CarbonylContact C-O 3.44Å; G189-H330 VanDerWaalsContact CA-O 3.23Å; G189-H330 WeakPolarHBondContact CA-O 3.2Å
190	E	76.6	Confident	61.6	Low	111 Å²	111	73.7 Å²	73.7	52%	0.519	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	150.6	-179.9	-66.7	179.8	-164.1	0	0	111.5	S192 R329 H330	E190-S192 PolarHBondContact O-N 2.83Å; E190-R329 CarbonylContact O-C 3.54Å; E190-R329 WeakPolarHBondContact O-CA 3.47Å; E190-R329 WeakPolarHBondContact O-CB 3.47Å; E190-H330 PolarHBondContact N-O 2.81Å; E190-H330 PolarHBondContact O-N 3.22Å; E190-H330 IonicContact OE2-NE2 3.63Å
191	I	82.6	Confident	64.8	Low	90 Å²	90	66.7 Å²	66.7	46%	0.462	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.9	171.3	-63.4	163.2	0	0	0	108.9	E327	I191-E327 WeakPolarHBondContact CD1-OE2 3.47Å; I191-E327 WeakPolarHBondContact CG1-OE2 3.44Å
192	S	85.3	Confident	68.2	Low	6 Å²	6	59 Å²	59	4%	0.042	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-84.7	138	176.6	-51.6	0	0	0	0	110.5	E190 L328 H330	E190-S192 PolarHBondContact O-N 2.83Å; S192-L328 WeakPolarHBondContact CA-O 3.31Å; S192-L328 WeakPolarHBondContact CB-O 3.42Å; S192-L328 PolarHBondContact N-O 2.99Å; S192-L328 PolarHBondContact OG-O 3.3Å; S192-L328 VanDerWaalsContact OG-O 3.13Å; S192-H330 PolarHBondContact OG-ND1 2.94Å
193	R	81.2	Confident	71.6	Confident	151 Å²	151	50.8 Å²	50.8	57%	0.57	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-70.2	148.2	172.3	-60	-179.7	-174.7	-172.2	0.7	110.1	F170 G195 Q196	F170-R193 VanDerWaalsContact CE1-NH1 3.26Å; R193-G195 PolarHBondContact O-N 3.17Å; R193-G195 VanDerWaalsContact O-N 3.12Å; R193-Q196 HydrophobicContact CB-CB 4.26Å; R193-Q196 WeakPolarHBondContact O-CB 3.27Å; R193-Q196 PolarHBondContact O-N 2.81Å
194	P	79.9	Confident	74.9	Confident	55 Å²	55	45.3 Å²	45.3	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	121	175.2	-27.8	35.6	0	0	0	112.1	Q196	P194-Q196 VanDerWaalsContact C-N 3.35Å
195	G	82.4	Confident	78.3	Confident	7 Å²	7	43.2 Å²	43.2	7%	0.072	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	3.7	-177.7	0	0	0	0	0	116	L168 R193 W197	L168-G195 WeakPolarHBondContact CD1-O 3.06Å; R193-G195 PolarHBondContact O-N 3.17Å; R193-G195 VanDerWaalsContact O-N 3.12Å; G195-W197 VanDerWaalsContact C-N 3.28Å; G195-W197 PolarHBondContact O-N 2.04Å
196	Q	85	Confident	81.7	Confident	37 Å²	37	38 Å²	38	17%	0.173	19%	0.191	C	C	.	.	S	Bend	trans	-58.5	-43	173.8	-179.3	175.3	-13	0	0	111.4	A167 R193 P194 P198 H330	A167-Q196 WeakPolarHBondContact CB-O 3.46Å; R193-Q196 HydrophobicContact CB-CB 4.26Å; R193-Q196 WeakPolarHBondContact O-CB 3.27Å; R193-Q196 PolarHBondContact O-N 2.81Å; P194-Q196 VanDerWaalsContact C-N 3.35Å; Q196-P198 WeakPolarHBondContact O-CD 3.42Å; Q196-H330 PolarHBondContact NE2-CE1 2.99Å
197	W	92.6	Very high	84.7	Confident	13 Å²	13	39.4 Å²	39.4	5%	0.049	20%	0.199	C	C	.	.	S	Bend	trans	-115.9	80.5	177.3	-54.2	115.4	0	0	0	109.3	G195 W199 M200 Y312 A314 L328 H330 M377 W388	G195-W197 VanDerWaalsContact C-N 3.28Å; G195-W197 PolarHBondContact O-N 2.04Å; W197-W199 HydrophobicContact CE3-CH2 4.14Å; W197-W199 AromaticContact CE3-CZ2 3.44Å; W197-W199 HydrophobicContact CE3-CZ2 3.44Å; W197-W199 VanDerWaalsContact CE3-CZ2 3.44Å; W197-W199 HydrophobicContact CZ3-CH2 4.48Å; W197-W199 AromaticContact CZ3-CZ2 3.92Å; W197-W199 HydrophobicContact CZ3-CZ2 3.92Å; W197-W199 PolarHBondContact O-N 3.01Å; W197-W199 VanDerWaalsContact O-N 3.08Å; W197-M200 HydrophobicContact CB-CG 3.57Å; W197-M200 HydrophobicContact CB-SD 4.42Å; W197-M200 WeakPolarHBondContact O-CB 3.08Å; W197-M200 VanDerWaalsContact O-CG 3.27Å; W197-M200 WeakPolarHBondContact O-CG 3.07Å; W197-M200 PolarHBondContact O-N 3.08Å; W197-M200 VanDerWaalsContact O-N 3.13Å; W197-Y312 HydrophobicContact CH2-CD2 4.37Å; W197-Y312 HydrophobicContact CH2-CG 4.17Å; W197-Y312 HydrophobicContact CZ2-CD1 4.2Å; W197-Y312 HydrophobicContact CZ2-CG 4.19Å; W197-A314 HydrophobicContact CG-CB 4.11Å; W197-L328 HydrophobicContact CB-CD2 4.5Å; W197-H330 HydrophobicContact CZ2-CB 4.31Å; W197-H330 VanDerWaalsContact NE1-CB 3.34Å; W197-H330 AromaticContact NE1-CG 3.37Å; W197-H330 AromaticContact NE1-ND1 3.44Å; W197-H330 PolarHBondContact NE1-ND1 2.73Å; W197-M377 HydrophobicContact CD2-CE 4.01Å; W197-M377 HydrophobicContact CD2-SD 4.38Å; W197-M377 HydrophobicContact CE3-CE 3.93Å; W197-M377 HydrophobicContact CE3-SD 3.88Å; W197-M377 HydrophobicContact CH2-CE 4.23Å; W197-M377 HydrophobicContact CZ2-CE 4.36Å; W197-M377 HydrophobicContact CZ3-CE 4.03Å; W197-M377 HydrophobicContact CZ3-SD 4.16Å; W197-W388 HydrophobicContact CH2-CD2 4.31Å; W197-W388 AromaticContact CH2-CE2 3.97Å; W197-W388 HydrophobicContact CH2-CE3 4.29Å; W197-W388 AromaticContact CH2-CH2 3.61Å; W197-W388 HydrophobicContact CH2-CH2 3.61Å; W197-W388 AromaticContact CH2-CZ2 3.62Å; W197-W388 HydrophobicContact CH2-CZ2 3.62Å; W197-W388 AromaticContact CH2-CZ3 3.94Å; W197-W388 HydrophobicContact CH2-CZ3 3.94Å; W197-W388 AromaticContact CZ3-CD2 3.71Å; W197-W388 HydrophobicContact CZ3-CD2 3.71Å; W197-W388 AromaticContact CZ3-CE2 3.61Å; W197-W388 AromaticContact CZ3-CE3 3.94Å; W197-W388 HydrophobicContact CZ3-CE3 3.94Å; W197-W388 HydrophobicContact CZ3-CG 4.3Å; W197-W388 HydrophobicContact CZ3-CH2 4.02Å; W197-W388 AromaticContact CZ3-CZ2 3.79Å; W197-W388 HydrophobicContact CZ3-CZ2 3.79Å; W197-W388 HydrophobicContact CZ3-CZ3 4.08Å
198	P	91.3	Very high	87.1	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	3.2	-164.3	34.3	-40.3	0	0	0	114.6	Q196 S290 K291 R292 R293	Q196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-S290 WeakPolarHBondContact CB-O 3.23Å; P198-K291 WeakPolarHBondContact CA-O 3.11Å; P198-K291 VanDerWaalsContact CB-C 3.48Å; P198-K291 WeakPolarHBondContact CB-O 3.27Å; P198-K291 VanDerWaalsContact O-O 3.12Å; P198-R292 CarbonylContact O-C 3.57Å; P198-R292 VanDerWaalsContact O-CA 3.26Å; P198-R292 WeakPolarHBondContact O-CA 3.47Å; P198-R293 CarbonylContact C-O 3.55Å; P198-R293 HydrophobicContact CB-CG 3.7Å; P198-R293 HydrophobicContact CG-CG 3.41Å; P198-R293 VanDerWaalsContact CG-CG 3.41Å; P198-R293 PolarHBondContact O-N 2.82Å
199	W	95.5	Very high	89	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	0.2	172.3	43.6	77.8	0	0	0	112.4	A167 W197 S214 L215 R293 I295 M377 W388	A167-W199 HydrophobicContact CB-CH2 3.91Å; A167-W199 HydrophobicContact CB-CZ3 4.38Å; W197-W199 HydrophobicContact CE3-CH2 4.14Å; W197-W199 AromaticContact CE3-CZ2 3.44Å; W197-W199 HydrophobicContact CE3-CZ2 3.44Å; W197-W199 VanDerWaalsContact CE3-CZ2 3.44Å; W197-W199 HydrophobicContact CZ3-CH2 4.48Å; W197-W199 AromaticContact CZ3-CZ2 3.92Å; W197-W199 HydrophobicContact CZ3-CZ2 3.92Å; W197-W199 PolarHBondContact O-N 3.01Å; W197-W199 VanDerWaalsContact O-N 3.08Å; W199-S214 CarbonylContact O-C 3.55Å; W199-S214 VanDerWaalsContact O-CA 3.29Å; W199-S214 WeakPolarHBondContact O-CA 3.26Å; W199-L215 HydrophobicContact CB-CB 4.05Å; W199-L215 PolarHBondContact O-N 2.93Å; W199-R293 VanDerWaalsContact CA-O 3.29Å; W199-R293 WeakPolarHBondContact CA-O 3.41Å; W199-R293 VanDerWaalsContact CB-O 3.29Å; W199-R293 WeakPolarHBondContact CB-O 3.31Å; W199-R293 PolarHBondContact N-O 3.13Å; W199-I295 HydrophobicContact CB-CB 4.09Å; W199-I295 HydrophobicContact CB-CG2 4.44Å; W199-I295 HydrophobicContact CD2-CB 3.62Å; W199-I295 HydrophobicContact CD2-CD1 4.19Å; W199-I295 HydrophobicContact CD2-CG1 4.13Å; W199-I295 HydrophobicContact CE3-CB 3.94Å; W199-I295 HydrophobicContact CE3-CG1 4.41Å; W199-I295 HydrophobicContact CG-CB 3.68Å; W199-I295 HydrophobicContact CG-CG2 4.29Å; W199-I295 HydrophobicContact CZ2-CD1 3.81Å; W199-I295 HydrophobicContact CZ2-CG1 4.25Å; W199-M377 HydrophobicContact CZ2-SD 3.72Å; W199-M377 PolarHBondContact NE1-SD 2.8Å; W199-W388 HydrophobicContact CH2-CB 3.39Å; W199-W388 AromaticContact CH2-CD1 3.69Å; W199-W388 AromaticContact CH2-CG 3.59Å; W199-W388 HydrophobicContact CH2-CG 3.59Å; W199-W388 HydrophobicContact CZ2-CB 3.72Å; W199-W388 AromaticContact CZ2-CG 3.97Å; W199-W388 HydrophobicContact CZ2-CG 3.97Å; W199-W388 HydrophobicContact CZ3-CB 4.29Å
200	M	95.8	Very high	90.1	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.9	-178.9	-66.9	-51.6	-58.8	0	0	111.7	W197 A314 W316 L328 P375	W197-M200 HydrophobicContact CB-CG 3.57Å; W197-M200 HydrophobicContact CB-SD 4.42Å; W197-M200 WeakPolarHBondContact O-CB 3.08Å; W197-M200 VanDerWaalsContact O-CG 3.27Å; W197-M200 WeakPolarHBondContact O-CG 3.07Å; W197-M200 PolarHBondContact O-N 3.08Å; W197-M200 VanDerWaalsContact O-N 3.13Å; M200-A314 HydrophobicContact CE-CB 4.35Å; M200-A314 WeakPolarHBondContact CE-O 3.37Å; M200-A314 HydrophobicContact SD-CB 3.95Å; M200-W316 HydrophobicContact CB-CH2 4.06Å; M200-W316 HydrophobicContact CE-CZ3 4.04Å; M200-L328 HydrophobicContact CB-CD1 4.48Å; M200-L328 HydrophobicContact CB-CD2 4.18Å; M200-L328 HydrophobicContact CE-CD1 4.03Å; M200-L328 HydrophobicContact CG-CD1 4.09Å; M200-L328 HydrophobicContact CG-CD2 3.86Å; M200-P375 HydrophobicContact SD-CG 3.78Å
201	V	97.2	Very high	90.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.1	-179.9	179.6	0	0	0	0	109.9	G212 A213 L215 L221 V239 H240 I241	V201-G212 CarbonylContact O-C 3.57Å; V201-A213 HydrophobicContact CB-CB 3.98Å; V201-A213 HydrophobicContact CG1-CB 4.27Å; V201-A213 PolarHBondContact N-O 2.79Å; V201-A213 PolarHBondContact O-N 3Å; V201-L215 HydrophobicContact CG2-CB 4.38Å; V201-L221 HydrophobicContact CG1-CD1 3.84Å; V201-L221 HydrophobicContact CG2-CD2 3.97Å; V201-V239 HydrophobicContact CG1-CB 3.81Å; V201-V239 HydrophobicContact CG1-CG1 4.38Å; V201-H240 WeakPolarHBondContact CA-O 3.48Å; V201-H240 WeakPolarHBondContact CG1-O 2.92Å; V201-I241 HydrophobicContact CG1-CG1 4.04Å; V201-I241 HydrophobicContact CG2-CB 4.34Å; V201-I241 HydrophobicContact CG2-CG1 3.87Å; V201-I241 HydrophobicContact CG2-CG2 4.14Å
202	S	95.9	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.8	173.7	164.4	0	0	0	0	108.8	R204 F209 V239 H240 D243 L246	S202-R204 PolarHBondContact OG-NE 3.41Å; S202-F209 WeakPolarHBondContact OG-CD2 3.39Å; S202-V239 CarbonylContact O-C 3.52Å; S202-V239 WeakPolarHBondContact O-CA 2.95Å; S202-H240 PolarHBondContact N-O 2.94Å; S202-H240 PolarHBondContact O-N 2.92Å; S202-D243 WeakPolarHBondContact CB-OD2 3.49Å; S202-L246 WeakPolarHBondContact OG-CD2 3.38Å
203	V	96.8	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.7	176	-175.3	0	0	0	0	108	R210 C211 A213 F228 W237 V239 I280	V203-R210 WeakPolarHBondContact O-CB 3.17Å; V203-R210 PolarHBondContact O-N 2.93Å; V203-C211 WeakPolarHBondContact CB-O 3.47Å; V203-C211 PolarHBondContact N-O 2.85Å; V203-C211 PolarHBondContact O-N 2.81Å; V203-A213 HydrophobicContact CG2-CB 3.57Å; V203-F228 HydrophobicContact CG1-CE1 4.17Å; V203-F228 HydrophobicContact CG1-CZ 4.31Å; V203-W237 HydrophobicContact CG1-CE3 3.87Å; V203-W237 HydrophobicContact CG1-CZ3 3.99Å; V203-V239 HydrophobicContact CG1-CG1 4.45Å; V203-V239 HydrophobicContact CG2-CG1 4.26Å; V203-I280 HydrophobicContact CG1-CD1 4.26Å; V203-I280 HydrophobicContact CG2-CD1 3.9Å
204	R	95.1	Very high	92.6	Very high	27 Å²	27	32.5 Å²	32.5	10%	0.102	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	-174.8	-55.1	-169	-175.3	-157.6	2.2	111.8	S202 Q208 W237 T238 D243 L246	S202-R204 PolarHBondContact OG-NE 3.41Å; R204-Q208 CarbonylContact C-O 3.49Å; R204-Q208 WeakPolarHBondContact CA-O 3.29Å; R204-Q208 WeakPolarHBondContact CB-O 3.39Å; R204-W237 WeakPolarHBondContact O-CA 3.28Å; R204-T238 PolarHBondContact N-O 3.35Å; R204-T238 PolarHBondContact O-N 2.74Å; R204-T238 VanDerWaalsContact O-N 3.08Å; R204-D243 IonicContact CZ-OD2 2.97Å; R204-D243 IonicContact NH2-OD2 3.95Å; R204-D243 PolarHBondContact NH2-OD2 3.33Å; R204-L246 PolarHBondContact NH1-O 3.1Å; R204-L246 PolarHBondContact NH2-O 2.66Å
205	E	95.3	Very high	93.4	Very high	51 Å²	51	29.9 Å²	29.9	24%	0.238	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.6	172.3	-178.6	179.1	-151.6	0	0	108.6	D207 Q208 R210 N236 W237	E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.23Å; E205-Q208 PolarHBondContact N-O 3.34Å; E205-Q208 WeakPolarHBondContact O-CB 3.32Å; E205-Q208 PolarHBondContact O-N 3.47Å; E205-Q208 VanDerWaalsContact O-N 3.08Å; E205-R210 HydrophobicContact CB-CB 4.48Å; E205-N236 CarbonylContact C-O 3.48Å; E205-N236 WeakPolarHBondContact CA-O 3.45Å; E205-W237 HydrophobicContact CB-CD2 4.26Å; E205-W237 HydrophobicContact CB-CE3 4.13Å; E205-W237 HydrophobicContact CB-CH2 3.91Å; E205-W237 HydrophobicContact CB-CZ2 4Å; E205-W237 HydrophobicContact CB-CZ3 3.97Å; E205-W237 VanDerWaalsContact CD-CZ2 3.41Å; E205-W237 HydrophobicContact CG-CD2 4.43Å; E205-W237 HydrophobicContact CG-CH2 4.21Å; E205-W237 HydrophobicContact CG-CZ2 3.81Å; E205-W237 WeakPolarHBondContact OE1-CZ2 3.31Å
206	N	95.6	Very high	93.8	Very high	93 Å²	93	30.4 Å²	30.4	50%	0.497	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	48.9	-171.8	-50	-59.3	0	0	0	111.9	Q208 N236	N206-Q208 PolarHBondContact O-N 3.24Å; N206-N236 PolarHBondContact N-O 3.02Å; N206-N236 WeakPolarHBondContact OD1-CB 3.34Å; N206-N236 PolarHBondContact OD1-ND2 2.01Å
207	D	92.2	Very high	93.9	Very high	106 Å²	106	30 Å²	30	57%	0.567	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	4.1	-177.9	-53.1	-48.5	0	0	0	116	E205	E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.23Å
208	Q	92.1	Very high	93.5	Very high	139 Å²	139	31.3 Å²	31.3	65%	0.65	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.8	176.1	-62.4	-60.8	-58	0	0	111.2	R204 E205 N206 R210	R204-Q208 CarbonylContact C-O 3.49Å; R204-Q208 WeakPolarHBondContact CA-O 3.29Å; R204-Q208 WeakPolarHBondContact CB-O 3.39Å; E205-Q208 PolarHBondContact N-O 3.34Å; E205-Q208 WeakPolarHBondContact O-CB 3.32Å; E205-Q208 PolarHBondContact O-N 3.47Å; E205-Q208 VanDerWaalsContact O-N 3.08Å; N206-Q208 PolarHBondContact O-N 3.24Å; Q208-R210 PolarHBondContact O-N 2.94Å
209	F	91.8	Very high	93.4	Very high	27 Å²	27	33.2 Å²	33.2	12%	0.118	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	128.7	175.3	177.1	-101.7	0	0	0	111.1	S202 C211 L246 W316 I324 G370	S202-F209 WeakPolarHBondContact OG-CD2 3.39Å; F209-C211 VanDerWaalsContact CE2-C 3.49Å; F209-C211 VanDerWaalsContact CE2-O 3.26Å; F209-C211 WeakPolarHBondContact CE2-O 3.34Å; F209-C211 VanDerWaalsContact CZ-C 3.43Å; F209-L246 HydrophobicContact CB-CD1 3.93Å; F209-L246 HydrophobicContact CB-CD2 4.4Å; F209-L246 HydrophobicContact CD1-CD1 4.24Å; F209-L246 HydrophobicContact CD2-CD1 4.14Å; F209-L246 HydrophobicContact CD2-CD2 3.78Å; F209-L246 HydrophobicContact CE2-CD2 4.38Å; F209-L246 HydrophobicContact CG-CD1 3.84Å; F209-L246 HydrophobicContact CG-CD2 4.25Å; F209-W316 HydrophobicContact CE1-CB 4.14Å; F209-W316 HydrophobicContact CE2-CB 4.33Å; F209-W316 HydrophobicContact CE2-CD2 4.27Å; F209-W316 AromaticContact CE2-CE3 3.71Å; F209-W316 HydrophobicContact CE2-CE3 3.71Å; F209-W316 HydrophobicContact CE2-CZ3 4.39Å; F209-W316 HydrophobicContact CZ-CB 3.93Å; F209-W316 HydrophobicContact CZ-CE3 4.03Å; F209-I324 HydrophobicContact CD1-CD1 4.11Å; F209-I324 HydrophobicContact CD1-CG1 4.36Å; F209-I324 HydrophobicContact CD1-CG2 4.07Å; F209-G370 WeakPolarHBondContact CE1-O 3.04Å; F209-G370 WeakPolarHBondContact CZ-O 3.38Å
210	R	91.8	Very high	93.2	Very high	120 Å²	120	34.5 Å²	34.5	45%	0.453	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-49.3	-179	-176.8	64.9	-179.9	167.7	4.4	112.6	V203 E205 Q208 C227 W237	V203-R210 WeakPolarHBondContact O-CB 3.17Å; V203-R210 PolarHBondContact O-N 2.93Å; E205-R210 HydrophobicContact CB-CB 4.48Å; Q208-R210 PolarHBondContact O-N 2.94Å; R210-C227 PolarHBondContact NE-O 2.93Å; R210-W237 HydrophobicContact CB-CZ3 4.15Å; R210-W237 HydrophobicContact CG-CH2 3.88Å; R210-W237 HydrophobicContact CG-CZ3 3.83Å
211	C	92.8	Very high	93.2	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.02	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.7	-174.3	-82.1	0	0	0	0	110.7	V203 F209 C227 S372	V203-C211 WeakPolarHBondContact CB-O 3.47Å; V203-C211 PolarHBondContact N-O 2.85Å; V203-C211 PolarHBondContact O-N 2.81Å; F209-C211 VanDerWaalsContact CE2-C 3.49Å; F209-C211 VanDerWaalsContact CE2-O 3.26Å; F209-C211 WeakPolarHBondContact CE2-O 3.34Å; F209-C211 VanDerWaalsContact CZ-C 3.43Å; C211-C227 HydrophobicContact CB-CB 3.83Å; C211-C227 WeakPolarHBondContact CB-SG 3.44Å; C211-C227 WeakPolarHBondContact SG-CB 3.05Å; C211-C227 CovalentContact SG-SG 2.02Å; C211-C227 PolarHBondContact SG-SG 3.43Å; C211-S372 CarbonylContact C-O 3.55Å; C211-S372 WeakPolarHBondContact CA-O 3.27Å; C211-S372 WeakPolarHBondContact CB-O 3.27Å; C211-S372 PolarHBondContact SG-O 2.94Å
212	G	93.7	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	160.9	161.8	0	0	0	0	0	111.7	V201 T223 S372 G373	V201-G212 CarbonylContact O-C 3.57Å; G212-T223 PolarHBondContact O-OG1 3Å; G212-S372 PolarHBondContact N-O 3.44Å; G212-G373 CarbonylContact C-O 3.5Å; G212-G373 CarbonylContact O-C 3.55Å; G212-G373 VanDerWaalsContact O-CA 3.26Å; G212-G373 WeakPolarHBondContact O-CA 3.31Å
213	A	96.4	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	167	168.4	0	0	0	0	0	109.4	V201 V203 L222	V201-A213 HydrophobicContact CB-CB 3.98Å; V201-A213 HydrophobicContact CG1-CB 4.27Å; V201-A213 PolarHBondContact N-O 2.79Å; V201-A213 PolarHBondContact O-N 3Å; V203-A213 HydrophobicContact CG2-CB 3.57Å; A213-L222 CarbonylContact C-O 3.52Å; A213-L222 VanDerWaalsContact CA-O 3.28Å; A213-L222 WeakPolarHBondContact CA-O 3.46Å; A213-L222 WeakPolarHBondContact CB-O 3.36Å
214	S	96.4	Very high	92.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.8	173.7	57.3	0	0	0	0	111.6	W199 I216 L221 L222 Q390	W199-S214 CarbonylContact O-C 3.55Å; W199-S214 VanDerWaalsContact O-CA 3.29Å; W199-S214 WeakPolarHBondContact O-CA 3.26Å; S214-I216 PolarHBondContact O-N 3.38Å; S214-L221 CarbonylContact O-C 3.46Å; S214-L221 WeakPolarHBondContact O-CA 3.02Å; S214-L222 PolarHBondContact N-O 3.24Å; S214-L222 PolarHBondContact O-N 3.13Å; S214-L222 PolarHBondContact OG-O 3.41Å; S214-Q390 VanDerWaalsContact CB-OE1 3.26Å; S214-Q390 PolarHBondContact OG-NE2 3.39Å; S214-Q390 PolarHBondContact OG-OE1 3.29Å
215	L	95.1	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.7	167.4	-172.6	68.4	0	0	0	109	W199 V201 S217 L221 I286 Y288 R293 P294 I295	W199-L215 HydrophobicContact CB-CB 4.05Å; W199-L215 PolarHBondContact O-N 2.93Å; V201-L215 HydrophobicContact CG2-CB 4.38Å; L215-S217 WeakPolarHBondContact CD1-O 3Å; L215-S217 WeakPolarHBondContact CG-O 3.31Å; L215-L221 HydrophobicContact CB-CD2 4.29Å; L215-L221 HydrophobicContact CD1-CD2 3.49Å; L215-L221 VanDerWaalsContact CD1-CD2 3.49Å; L215-L221 HydrophobicContact CG-CD2 4.5Å; L215-I286 HydrophobicContact CD1-CD1 3.96Å; L215-I286 HydrophobicContact CD2-CD1 3.6Å; L215-I286 HydrophobicContact CG-CD1 4.47Å; L215-Y288 HydrophobicContact CD2-CE1 4.44Å; L215-R293 VanDerWaalsContact CD2-C 3.49Å; L215-P294 HydrophobicContact CG-CB 4.34Å; L215-P294 CarbonylContact O-C 3.5Å; L215-P294 WeakPolarHBondContact O-CA 3.4Å; L215-P294 WeakPolarHBondContact O-CB 3.33Å; L215-I295 PolarHBondContact O-N 2.87Å
216	I	91.6	Very high	92.5	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.092	16%	0.16	C	C	.	.			trans	-115.3	-16.4	-179.8	64.8	164.5	0	0	0	112.8	S214 W220 L222 L279 P294 I295 I297 I414 F418	S214-I216 PolarHBondContact O-N 3.38Å; I216-W220 HydrophobicContact CD1-CB 4.15Å; I216-W220 HydrophobicContact CG1-CB 3.87Å; I216-W220 VanDerWaalsContact CG1-O 3.22Å; I216-W220 WeakPolarHBondContact CG1-O 3.36Å; I216-W220 PolarHBondContact N-O 3.48Å; I216-L222 HydrophobicContact CD1-CB 4.29Å; I216-L222 HydrophobicContact CG2-CB 3.65Å; I216-L222 HydrophobicContact CG2-CD2 4.32Å; I216-L279 HydrophobicContact CD1-CD2 3.73Å; I216-P294 VanDerWaalsContact C-CB 3.5Å; I216-I295 HydrophobicContact CG2-CG2 4.45Å; I216-I297 HydrophobicContact CB-CD1 4.37Å; I216-I297 HydrophobicContact CB-CG1 4.36Å; I216-I297 HydrophobicContact CG2-CD1 3.68Å; I216-I297 HydrophobicContact CG2-CG1 4.19Å; I216-I414 HydrophobicContact CD1-CG2 4.3Å; I216-F418 HydrophobicContact CD1-CE2 4.45Å; I216-F418 HydrophobicContact CD1-CZ 3.76Å; I216-F418 HydrophobicContact CG1-CZ 4.49Å
217	S	85.9	Confident	92.3	Very high	28 Å²	28	28.2 Å²	28.2	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-157.3	-174.8	167.2	71.6	0	0	0	0	109.7	L215 Q219 W220 Y288	L215-S217 WeakPolarHBondContact CD1-O 3Å; L215-S217 WeakPolarHBondContact CG-O 3.31Å; S217-Q219 PolarHBondContact O-N 2.75Å; S217-Q219 VanDerWaalsContact O-N 3.12Å; S217-Q219 PolarHBondContact OG-N 2.88Å; S217-W220 PolarHBondContact N-O 3.43Å; S217-W220 WeakPolarHBondContact OG-CB 3.16Å; S217-W220 PolarHBondContact OG-N 3.24Å; S217-Y288 VanDerWaalsContact C-OH 3.3Å
218	S	85.3	Confident	92.4	Very high	41 Å²	41	23.4 Å²	23.4	29%	0.287	11%	0.111	S	C	.	.	S	Bend	trans	-66.1	-16	-178.6	55.9	0	0	0	0	113.4	P285 I286 Y288	S218-P285 CarbonylContact O-C 3.56Å; S218-P285 VanDerWaalsContact O-CA 3.26Å; S218-P285 WeakPolarHBondContact O-CA 3.38Å; S218-I286 PolarHBondContact O-N 3.36Å; S218-Y288 WeakPolarHBondContact CA-OH 3.49Å; S218-Y288 PolarHBondContact N-OH 3.24Å
219	Q	88.2	Confident	92.3	Very high	42 Å²	42	19.3 Å²	19.3	20%	0.196	10%	0.096	C	C	.	.	S	Bend	trans	-134.9	-0.1	-176.7	-156	-179.4	-15.7	0	0	114.1	S217 K281 I282 P285	S217-Q219 PolarHBondContact O-N 2.75Å; S217-Q219 VanDerWaalsContact O-N 3.12Å; S217-Q219 PolarHBondContact OG-N 2.88Å; Q219-K281 HydrophobicContact CG-CG 4.32Å; Q219-K281 WeakPolarHBondContact O-CA 3.23Å; Q219-I282 HydrophobicContact CB-CG1 4.42Å; Q219-I282 HydrophobicContact CG-CG1 3.85Å; Q219-I282 VanDerWaalsContact CG-O 3.26Å; Q219-I282 WeakPolarHBondContact CG-O 3.44Å; Q219-I282 PolarHBondContact NE2-O 2.85Å; Q219-I282 WeakPolarHBondContact O-CG1 3.17Å; Q219-I282 PolarHBondContact O-N 2.8Å; Q219-I282 VanDerWaalsContact O-N 3.11Å; Q219-P285 HydrophobicContact CB-CB 4.46Å; Q219-P285 HydrophobicContact CB-CG 4.4Å; Q219-P285 HydrophobicContact CG-CG 4.38Å
220	W	91.4	Very high	92.1	Very high	26 Å²	26	25.8 Å²	25.8	10%	0.098	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.1	-175.9	-66.2	93.8	0	0	0	111.8	I216 S217 L262 L279 I280 K281 F418	I216-W220 HydrophobicContact CD1-CB 4.15Å; I216-W220 HydrophobicContact CG1-CB 3.87Å; I216-W220 VanDerWaalsContact CG1-O 3.22Å; I216-W220 WeakPolarHBondContact CG1-O 3.36Å; I216-W220 PolarHBondContact N-O 3.48Å; S217-W220 PolarHBondContact N-O 3.43Å; S217-W220 WeakPolarHBondContact OG-CB 3.16Å; S217-W220 PolarHBondContact OG-N 3.24Å; W220-L262 HydrophobicContact CH2-CD1 4.04Å; W220-L262 HydrophobicContact CZ3-CD1 3.99Å; W220-L279 HydrophobicContact CE3-CB 4.07Å; W220-L279 HydrophobicContact CZ3-CB 4.05Å; W220-I280 WeakPolarHBondContact CA-O 3.26Å; W220-K281 HydrophobicContact CD2-CB 4.32Å; W220-K281 HydrophobicContact CD2-CG 4.27Å; W220-K281 HydrophobicContact CE3-CB 3.87Å; W220-K281 HydrophobicContact CE3-CG 4.32Å; W220-K281 HydrophobicContact CH2-CB 3.89Å; W220-K281 HydrophobicContact CH2-CD 3.85Å; W220-K281 HydrophobicContact CH2-CG 4.09Å; W220-K281 HydrophobicContact CZ2-CB 4.3Å; W220-K281 HydrophobicContact CZ2-CD 3.69Å; W220-K281 HydrophobicContact CZ2-CG 4Å; W220-K281 HydrophobicContact CZ3-CB 3.65Å; W220-K281 HydrophobicContact CZ3-CD 4.47Å; W220-K281 HydrophobicContact CZ3-CG 4.24Å; W220-F418 HydrophobicContact CB-CE1 4.14Å; W220-F418 AromaticContact CD1-CE1 3.63Å; W220-F418 HydrophobicContact CD2-CE1 4.2Å; W220-F418 AromaticContact CG-CE1 3.74Å; W220-F418 HydrophobicContact CG-CE1 3.74Å; W220-F418 AromaticContact NE1-CE1 3.95Å
221	L	97.1	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.6	175.6	-42.3	173.6	0	0	0	110.3	V201 S214 L215 V239 I241 L279 I280 I282	V201-L221 HydrophobicContact CG1-CD1 3.84Å; V201-L221 HydrophobicContact CG2-CD2 3.97Å; S214-L221 CarbonylContact O-C 3.46Å; S214-L221 WeakPolarHBondContact O-CA 3.02Å; L215-L221 HydrophobicContact CB-CD2 4.29Å; L215-L221 HydrophobicContact CD1-CD2 3.49Å; L215-L221 VanDerWaalsContact CD1-CD2 3.49Å; L215-L221 HydrophobicContact CG-CD2 4.5Å; L221-V239 HydrophobicContact CD1-CB 3.99Å; L221-V239 HydrophobicContact CD1-CG1 3.78Å; L221-V239 HydrophobicContact CD1-CG2 3.83Å; L221-I241 HydrophobicContact CD2-CD1 4.43Å; L221-L279 WeakPolarHBondContact O-CA 3.48Å; L221-I280 HydrophobicContact CB-CB 4.07Å; L221-I280 HydrophobicContact CD1-CB 4.19Å; L221-I280 HydrophobicContact CD1-CD1 4.33Å; L221-I280 HydrophobicContact CD1-CG2 4.32Å; L221-I280 HydrophobicContact CG-CB 4.39Å; L221-I280 PolarHBondContact N-O 3.09Å; L221-I280 PolarHBondContact O-N 2.78Å; L221-I282 HydrophobicContact CD1-CG2 4.1Å; L221-I282 HydrophobicContact CG-CG2 4.5Å
222	L	95.4	Very high	92.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.6	177.1	-177.4	63.6	0	0	0	110.2	A213 S214 I216 L279 I297 I393 L410 I414	A213-L222 CarbonylContact C-O 3.52Å; A213-L222 VanDerWaalsContact CA-O 3.28Å; A213-L222 WeakPolarHBondContact CA-O 3.46Å; A213-L222 WeakPolarHBondContact CB-O 3.36Å; S214-L222 PolarHBondContact N-O 3.24Å; S214-L222 PolarHBondContact O-N 3.13Å; S214-L222 PolarHBondContact OG-O 3.41Å; I216-L222 HydrophobicContact CD1-CB 4.29Å; I216-L222 HydrophobicContact CG2-CB 3.65Å; I216-L222 HydrophobicContact CG2-CD2 4.32Å; L222-L279 HydrophobicContact CD1-CD2 3.89Å; L222-I297 HydrophobicContact CD2-CD1 3.99Å; L222-I393 HydrophobicContact CD1-CD1 3.6Å; L222-I393 HydrophobicContact CD2-CD1 3.95Å; L222-I393 HydrophobicContact CD2-CG1 4.19Å; L222-I393 HydrophobicContact CG-CD1 3.45Å; L222-I393 VanDerWaalsContact CG-CD1 3.45Å; L222-I393 HydrophobicContact CG-CG1 4.08Å; L222-L410 HydrophobicContact CD1-CD2 4.42Å; L222-L410 HydrophobicContact CD2-CD1 4.14Å; L222-L410 HydrophobicContact CD2-CD2 4.26Å; L222-I414 HydrophobicContact CD1-CD1 3.67Å; L222-I414 HydrophobicContact CD1-CG1 4.39Å; L222-I414 HydrophobicContact CD2-CD1 3.66Å; L222-I414 HydrophobicContact CG-CD1 4.3Å
223	T	95	Very high	92.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-176	-178	-170.9	0	0	0	0	111	G212 F228 Y277 A278 I280 G373 I393	G212-T223 PolarHBondContact O-OG1 3Å; T223-F228 HydrophobicContact CG2-CE2 3.61Å; T223-F228 HydrophobicContact CG2-CZ 3.87Å; T223-Y277 CarbonylContact O-C 3.53Å; T223-Y277 VanDerWaalsContact O-CA 3.27Å; T223-Y277 WeakPolarHBondContact O-CA 3.4Å; T223-A278 HydrophobicContact CG2-CB 4.27Å; T223-A278 PolarHBondContact N-O 3.3Å; T223-A278 PolarHBondContact O-N 2.91Å; T223-I280 HydrophobicContact CG2-CD1 3.94Å; T223-I280 HydrophobicContact CG2-CG1 4.06Å; T223-G373 WeakPolarHBondContact OG1-CA 3.43Å; T223-I393 VanDerWaalsContact O-CD1 3.29Å; T223-I393 WeakPolarHBondContact O-CD1 3.3Å
224	A	91.7	Very high	92.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-84.3	145.1	177.8	0	0	0	0	0	111.9	H226 C227 I393	A224-H226 WeakPolarHBondContact CB-ND1 3.38Å; A224-C227 WeakPolarHBondContact O-CB 3.45Å; A224-C227 PolarHBondContact O-N 2.87Å; A224-C227 PolarHBondContact O-SG 3.29Å; A224-I393 HydrophobicContact CB-CG2 4.06Å
225	A	92.2	Very high	92.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-73.5	-29.8	179.2	0	0	0	0	0	112.5	C227 F228 T263 Y267 D276 A278	A225-C227 PolarHBondContact O-N 3.21Å; A225-F228 PolarHBondContact O-N 3.06Å; A225-T263 HydrophobicContact CB-CG2 4Å; A225-Y267 HydrophobicContact CB-CD1 3.34Å; A225-Y267 HydrophobicContact CB-CD2 3.99Å; A225-Y267 HydrophobicContact CB-CE1 3.75Å; A225-Y267 HydrophobicContact CB-CE2 4.32Å; A225-Y267 HydrophobicContact CB-CG 3.52Å; A225-D276 WeakPolarHBondContact CA-OD1 3.1Å; A225-D276 WeakPolarHBondContact CB-OD1 3.1Å; A225-D276 PolarHBondContact N-OD1 2.94Å; A225-A278 HydrophobicContact CB-CB 4.29Å
226	H	89.9	Confident	92.3	Very high	42 Å²	42	46.2 Å²	46.2	19%	0.194	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65.4	-16	177.7	79.5	-105.3	0	0	0	113.8	A224 F228 Y267 Y273 D276 S372 S395	A224-H226 WeakPolarHBondContact CB-ND1 3.38Å; H226-F228 PolarHBondContact O-N 3.47Å; H226-Y267 VanDerWaalsContact CA-OH 3.3Å; H226-Y267 WeakPolarHBondContact CA-OH 3.16Å; H226-Y267 HydrophobicContact CB-CE1 4.42Å; H226-Y267 HydrophobicContact CB-CE2 4.43Å; H226-Y267 WeakPolarHBondContact CB-OH 3.41Å; H226-Y273 HydrophobicContact CB-CD1 4.22Å; H226-Y273 HydrophobicContact CB-CE1 3.93Å; H226-D276 IonicContact CE1-OD2 3.11Å; H226-D276 IonicContact CG-OD1 2.72Å; H226-D276 IonicContact CG-OD2 3.1Å; H226-D276 PolarHBondContact N-OD1 3.05Å; H226-D276 IonicContact ND1-OD1 3.3Å; H226-D276 PolarHBondContact ND1-OD1 3.41Å; H226-D276 IonicContact ND1-OD2 2.69Å; H226-D276 PolarHBondContact ND1-OD2 3.27Å; H226-S372 PolarHBondContact CE1-OG 2.87Å; H226-S372 VanDerWaalsContact CE1-OG 3.3Å; H226-S372 WeakPolarHBondContact NE2-CB 3.07Å; H226-S372 PolarHBondContact NE2-OG 3.28Å; H226-S395 PolarHBondContact CE1-O 2.95Å
227	C	92.4	Very high	92.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.8	175.3	-64.2	0	0	0	0	111.8	R210 C211 A224 A225 W237	R210-C227 PolarHBondContact NE-O 2.93Å; C211-C227 HydrophobicContact CB-CB 3.83Å; C211-C227 WeakPolarHBondContact CB-SG 3.44Å; C211-C227 WeakPolarHBondContact SG-CB 3.05Å; C211-C227 CovalentContact SG-SG 2.02Å; C211-C227 PolarHBondContact SG-SG 3.43Å; A224-C227 WeakPolarHBondContact O-CB 3.45Å; A224-C227 PolarHBondContact O-N 2.87Å; A224-C227 PolarHBondContact O-SG 3.29Å; A225-C227 PolarHBondContact O-N 3.21Å; C227-W237 WeakPolarHBondContact O-CH2 3.43Å
228	F	93.6	Very high	93.2	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	23%	0.233	C	C	.	.	S	Bend	trans	-106.9	142.5	-171	-52.1	-75.6	0	0	0	113.7	V203 T223 A225 H226 I232 W237 I261 T263 R268 A278 I280	V203-F228 HydrophobicContact CG1-CE1 4.17Å; V203-F228 HydrophobicContact CG1-CZ 4.31Å; T223-F228 HydrophobicContact CG2-CE2 3.61Å; T223-F228 HydrophobicContact CG2-CZ 3.87Å; A225-F228 PolarHBondContact O-N 3.06Å; H226-F228 PolarHBondContact O-N 3.47Å; F228-I232 HydrophobicContact CB-CD1 3.83Å; F228-I232 HydrophobicContact CB-CG1 4.25Å; F228-I232 HydrophobicContact CG-CD1 4.28Å; F228-W237 HydrophobicContact CD1-CD2 4.08Å; F228-W237 AromaticContact CD1-CE3 3.78Å; F228-W237 HydrophobicContact CD1-CE3 3.78Å; F228-W237 AromaticContact CD1-CH2 3.53Å; F228-W237 HydrophobicContact CD1-CH2 3.53Å; F228-W237 AromaticContact CD1-CZ2 3.87Å; F228-W237 HydrophobicContact CD1-CZ2 3.87Å; F228-W237 AromaticContact CD1-CZ3 3.47Å; F228-W237 HydrophobicContact CD1-CZ3 3.47Å; F228-W237 VanDerWaalsContact CD1-CZ3 3.47Å; F228-W237 HydrophobicContact CE1-CD2 4.12Å; F228-W237 AromaticContact CE1-CE3 3.52Å; F228-W237 HydrophobicContact CE1-CE3 3.52Å; F228-W237 HydrophobicContact CE1-CH2 4.02Å; F228-W237 AromaticContact CE1-CZ3 3.43Å; F228-W237 HydrophobicContact CE1-CZ3 3.43Å; F228-W237 VanDerWaalsContact CE1-CZ3 3.43Å; F228-W237 HydrophobicContact CG-CH2 4.46Å; F228-I261 HydrophobicContact CD1-CD1 3.7Å; F228-I261 HydrophobicContact CD1-CG2 4.14Å; F228-I261 HydrophobicContact CD2-CG2 3.72Å; F228-I261 HydrophobicContact CE1-CD1 3.49Å; F228-I261 VanDerWaalsContact CE1-CD1 3.49Å; F228-I261 HydrophobicContact CE1-CG1 4.25Å; F228-I261 HydrophobicContact CE1-CG2 4.17Å; F228-I261 HydrophobicContact CE2-CG2 3.75Å; F228-I261 HydrophobicContact CG-CG2 3.91Å; F228-I261 HydrophobicContact CZ-CD1 4.16Å; F228-I261 HydrophobicContact CZ-CG1 4.46Å; F228-I261 HydrophobicContact CZ-CG2 3.98Å; F228-T263 HydrophobicContact CD2-CG2 4.47Å; F228-R268 PolarHBondContact O-NH2 3.32Å; F228-A278 HydrophobicContact CD2-CB 4.27Å; F228-A278 HydrophobicContact CE2-CB 3.99Å; F228-I280 HydrophobicContact CZ-CD1 3.82Å; F228-I280 HydrophobicContact CZ-CG1 4.09Å
229	P	91.5	Very high	93.8	Very high	53 Å²	53	43 Å²	43	34%	0.344	22%	0.219	S	C	.	.			trans	-66.2	175	171.8	29.3	-35.1	0	0	0	112.1	I232 W237 R268	P229-I232 HydrophobicContact CG-CG1 4.47Å; P229-W237 HydrophobicContact CG-CZ2 4.3Å; P229-R268 VanDerWaalsContact C-NH2 3.3Å; P229-R268 PolarHBondContact O-NH2 3.16Å
230	K	87.5	Confident	94.2	Very high	163 Å²	163	41.7 Å²	41.7	71%	0.709	21%	0.213	S	C	*	.	S	Bend	trans	-68.9	-43.8	175.8	-70.9	-170.2	178.4	-177.2	0	112.6
231	N	91	Very high	94.4	Very high	150 Å²	150	40.4 Å²	40.4	80%	0.802	21%	0.209	S	C	*	.	S	Bend	trans	-103.1	110.1	176.6	-62.9	-15.9	0	0	0	107.5
232	I	93.1	Very high	94	Very high	56 Å²	56	40.9 Å²	40.9	29%	0.287	21%	0.213	S	C	.	.			trans	-96.7	121.9	-178.5	-59.6	174.2	0	0	0	107.8	F228 P229 L234 I261	F228-I232 HydrophobicContact CB-CD1 3.83Å; F228-I232 HydrophobicContact CB-CG1 4.25Å; F228-I232 HydrophobicContact CG-CD1 4.28Å; P229-I232 HydrophobicContact CG-CG1 4.47Å; I232-L234 HydrophobicContact CG2-CD2 3.86Å; I232-I261 HydrophobicContact CD1-CB 3.96Å; I232-I261 HydrophobicContact CD1-CD1 4.33Å; I232-I261 HydrophobicContact CD1-CG2 3.8Å; I232-I261 HydrophobicContact CG2-CD1 3.87Å
233	N	96	Very high	93.7	Very high	82 Å²	82	41 Å²	41	44%	0.439	21%	0.214	S	C	.	.			trans	-95	107.7	162.7	-178.7	22	0	0	0	108.6	D235 N236	N233-D235 PolarHBondContact O-N 2.95Å; N233-N236 PolarHBondContact ND2-OD1 3.19Å; N233-N236 VanDerWaalsContact ND2-OD1 3.08Å; N233-N236 PolarHBondContact O-N 3.35Å; N233-N236 VanDerWaalsContact O-N 3.11Å
234	L	96.5	Very high	93.3	Very high	61 Å²	61	41.3 Å²	41.3	32%	0.319	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.2	-27.3	-173	-67.6	177.2	0	0	0	113.6	I232 N236 W237 I258 I261	I232-L234 HydrophobicContact CG2-CD2 3.86Å; L234-N236 PolarHBondContact O-N 3.13Å; L234-N236 VanDerWaalsContact O-N 3.15Å; L234-W237 PolarHBondContact O-N 2.94Å; L234-I258 HydrophobicContact CD2-CG2 4.08Å; L234-I261 HydrophobicContact CD2-CD1 3.94Å; L234-I261 HydrophobicContact CD2-CG1 4.14Å
235	D	96.4	Very high	93	Very high	145 Å²	145	43.7 Å²	43.7	78%	0.775	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-64	-19.8	178.9	-63.1	-28.6	0	0	0	113.2	N233 W237	N233-D235 PolarHBondContact O-N 2.95Å; D235-W237 VanDerWaalsContact C-N 3.33Å
236	N	97.4	Very high	92.8	Very high	57 Å²	57	44.5 Å²	44.5	31%	0.305	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-85.1	-6.3	177.2	-65.1	14.5	0	0	0	112.7	E205 N206 N233 L234	E205-N236 CarbonylContact C-O 3.48Å; E205-N236 WeakPolarHBondContact CA-O 3.45Å; N206-N236 PolarHBondContact N-O 3.02Å; N206-N236 WeakPolarHBondContact OD1-CB 3.34Å; N206-N236 PolarHBondContact OD1-ND2 2.01Å; N233-N236 PolarHBondContact ND2-OD1 3.19Å; N233-N236 VanDerWaalsContact ND2-OD1 3.08Å; N233-N236 PolarHBondContact O-N 3.35Å; N233-N236 VanDerWaalsContact O-N 3.11Å; L234-N236 PolarHBondContact O-N 3.13Å; L234-N236 VanDerWaalsContact O-N 3.15Å
237	W	98.2	Very high	92.6	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.1	-169.6	-64.2	78.1	0	0	0	112.6	V203 R204 E205 R210 C227 F228 P229 L234 D235 I258 I261	V203-W237 HydrophobicContact CG1-CE3 3.87Å; V203-W237 HydrophobicContact CG1-CZ3 3.99Å; R204-W237 WeakPolarHBondContact O-CA 3.28Å; E205-W237 HydrophobicContact CB-CD2 4.26Å; E205-W237 HydrophobicContact CB-CE3 4.13Å; E205-W237 HydrophobicContact CB-CH2 3.91Å; E205-W237 HydrophobicContact CB-CZ2 4Å; E205-W237 HydrophobicContact CB-CZ3 3.97Å; E205-W237 VanDerWaalsContact CD-CZ2 3.41Å; E205-W237 HydrophobicContact CG-CD2 4.43Å; E205-W237 HydrophobicContact CG-CH2 4.21Å; E205-W237 HydrophobicContact CG-CZ2 3.81Å; E205-W237 WeakPolarHBondContact OE1-CZ2 3.31Å; R210-W237 HydrophobicContact CB-CZ3 4.15Å; R210-W237 HydrophobicContact CG-CH2 3.88Å; R210-W237 HydrophobicContact CG-CZ3 3.83Å; C227-W237 WeakPolarHBondContact O-CH2 3.43Å; F228-W237 HydrophobicContact CD1-CD2 4.08Å; F228-W237 AromaticContact CD1-CE3 3.78Å; F228-W237 HydrophobicContact CD1-CE3 3.78Å; F228-W237 AromaticContact CD1-CH2 3.53Å; F228-W237 HydrophobicContact CD1-CH2 3.53Å; F228-W237 AromaticContact CD1-CZ2 3.87Å; F228-W237 HydrophobicContact CD1-CZ2 3.87Å; F228-W237 AromaticContact CD1-CZ3 3.47Å; F228-W237 HydrophobicContact CD1-CZ3 3.47Å; F228-W237 VanDerWaalsContact CD1-CZ3 3.47Å; F228-W237 HydrophobicContact CE1-CD2 4.12Å; F228-W237 AromaticContact CE1-CE3 3.52Å; F228-W237 HydrophobicContact CE1-CE3 3.52Å; F228-W237 HydrophobicContact CE1-CH2 4.02Å; F228-W237 AromaticContact CE1-CZ3 3.43Å; F228-W237 HydrophobicContact CE1-CZ3 3.43Å; F228-W237 VanDerWaalsContact CE1-CZ3 3.43Å; F228-W237 HydrophobicContact CG-CH2 4.46Å; P229-W237 HydrophobicContact CG-CZ2 4.3Å; L234-W237 PolarHBondContact O-N 2.94Å; D235-W237 VanDerWaalsContact C-N 3.33Å; W237-I258 HydrophobicContact CB-CD1 3.64Å; W237-I261 HydrophobicContact CG-CD1 4.37Å
238	T	98	Very high	92.1	Very high	16 Å²	16	54.7 Å²	54.7	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	162.5	175	57	0	0	0	0	109.9	R204 L255	R204-T238 PolarHBondContact N-O 3.35Å; R204-T238 PolarHBondContact O-N 2.74Å; R204-T238 VanDerWaalsContact O-N 3.08Å; T238-L255 HydrophobicContact CG2-CD2 4.15Å
239	V	98	Very high	91.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.1	171.8	-59.8	0	0	0	0	110.4	V201 S202 V203 L221 I241 M256 I258 I280 I282	V201-V239 HydrophobicContact CG1-CB 3.81Å; V201-V239 HydrophobicContact CG1-CG1 4.38Å; S202-V239 CarbonylContact O-C 3.52Å; S202-V239 WeakPolarHBondContact O-CA 2.95Å; V203-V239 HydrophobicContact CG1-CG1 4.45Å; V203-V239 HydrophobicContact CG2-CG1 4.26Å; L221-V239 HydrophobicContact CD1-CB 3.99Å; L221-V239 HydrophobicContact CD1-CG1 3.78Å; L221-V239 HydrophobicContact CD1-CG2 3.83Å; V239-I241 HydrophobicContact CG2-CD1 4.49Å; V239-I241 HydrophobicContact CG2-CG1 4.46Å; V239-M256 HydrophobicContact CG2-CB 3.79Å; V239-M256 PolarHBondContact N-O 3.03Å; V239-M256 PolarHBondContact O-N 3.44Å; V239-I258 HydrophobicContact CG1-CD1 3.85Å; V239-I258 HydrophobicContact CG1-CG1 4.06Å; V239-I280 HydrophobicContact CG1-CD1 4.17Å; V239-I282 HydrophobicContact CG2-CG2 3.54Å
240	H	96.8	Very high	91.2	Very high	15 Å²	15	58.2 Å²	58.2	7%	0.069	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.9	177.3	-72.6	-129.3	0	0	0	108.5	V201 S202 D243 E253 I254 L255	V201-H240 WeakPolarHBondContact CA-O 3.48Å; V201-H240 WeakPolarHBondContact CG1-O 2.92Å; S202-H240 PolarHBondContact N-O 2.94Å; S202-H240 PolarHBondContact O-N 2.92Å; H240-D243 HydrophobicContact CB-CB 4.16Å; H240-E253 IonicContact CE1-OE1 3.46Å; H240-E253 IonicContact CG-OE1 3.61Å; H240-E253 IonicContact ND1-OE1 3.92Å; H240-E253 PolarHBondContact ND1-OE1 3.46Å; H240-I254 WeakPolarHBondContact CA-O 3.17Å; H240-L255 WeakPolarHBondContact NE2-CD1 2.95Å
241	I	94.8	Very high	90.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.7	-173.8	-52.8	174.2	0	0	0	108.8	V201 L221 V239 D243 E253 I254 M256 I282 I286 R292	V201-I241 HydrophobicContact CG1-CG1 4.04Å; V201-I241 HydrophobicContact CG2-CB 4.34Å; V201-I241 HydrophobicContact CG2-CG1 3.87Å; V201-I241 HydrophobicContact CG2-CG2 4.14Å; L221-I241 HydrophobicContact CD2-CD1 4.43Å; V239-I241 HydrophobicContact CG2-CD1 4.49Å; V239-I241 HydrophobicContact CG2-CG1 4.46Å; I241-D243 VanDerWaalsContact C-N 3.34Å; I241-E253 WeakPolarHBondContact O-CA 2.93Å; I241-I254 HydrophobicContact CB-CD1 4.41Å; I241-I254 HydrophobicContact CB-CG1 3.89Å; I241-I254 HydrophobicContact CD1-CD1 4.5Å; I241-I254 PolarHBondContact N-O 3.46Å; I241-I254 PolarHBondContact O-N 2.85Å; I241-M256 HydrophobicContact CD1-CG 4.21Å; I241-I282 HydrophobicContact CD1-CD1 4.13Å; I241-I286 HydrophobicContact CD1-CD1 4.28Å; I241-I286 HydrophobicContact CD1-CG2 4.09Å; I241-I286 HydrophobicContact CG2-CD1 4.11Å; I241-R292 HydrophobicContact CG2-CB 4.29Å; I241-R292 HydrophobicContact CG2-CG 3.99Å
242	G	88.5	Confident	90	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	27%	0.266	C	S	.	.	S	Bend	trans	84.6	11.3	-172.9	0	0	0	0	0	113.8
243	D	89.9	Confident	89.7	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.258	C	S	.	.			trans	-68.7	133	174.6	-168.4	-19.9	0	0	0	109.5	S202 R204 H240 I241 Y245 E253 W316	S202-D243 WeakPolarHBondContact CB-OD2 3.49Å; R204-D243 IonicContact CZ-OD2 2.97Å; R204-D243 IonicContact NH2-OD2 3.95Å; R204-D243 PolarHBondContact NH2-OD2 3.33Å; H240-D243 HydrophobicContact CB-CB 4.16Å; I241-D243 VanDerWaalsContact C-N 3.34Å; D243-Y245 PolarHBondContact OD1-N 3.01Å; D243-E253 HydrophobicContact CB-CG 4.21Å; D243-W316 HydrophobicContact CB-CH2 4.47Å; D243-W316 HydrophobicContact CB-CZ2 4.16Å; D243-W316 VanDerWaalsContact O-CZ2 3.32Å; D243-W316 WeakPolarHBondContact O-CZ2 3.46Å
244	S	85.9	Confident	89.6	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.049	25%	0.248	C	C	.	.	S	Bend	trans	-119.1	-30.3	171.9	-56.7	0	0	0	0	111.1	D250 W316 L328	S244-D250 VanDerWaalsContact CA-OD2 3.32Å; S244-D250 WeakPolarHBondContact CA-OD2 3.36Å; S244-D250 WeakPolarHBondContact CB-OD2 3.47Å; S244-D250 PolarHBondContact N-OD2 3.13Å; S244-W316 PolarHBondContact O-NE1 3.06Å; S244-L328 PolarHBondContact O-N 2.8Å
245	Y	86.1	Confident	89.6	Confident	49 Å²	49	49 Å²	49	19%	0.192	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-129	121.4	178	-55.2	-108.7	0	0	0	111.1	D243 D247 W248 D250 N326 E327	D243-Y245 PolarHBondContact OD1-N 3.01Å; Y245-D247 VanDerWaalsContact C-N 3.31Å; Y245-D247 PolarHBondContact O-N 3.49Å; Y245-W248 VanDerWaalsContact CB-NE1 3.34Å; Y245-W248 HydrophobicContact CD1-CH2 4.23Å; Y245-W248 AromaticContact CD1-CZ2 3.7Å; Y245-W248 HydrophobicContact CD1-CZ2 3.7Å; Y245-W248 AromaticContact CD2-CE2 3.5Å; Y245-W248 AromaticContact CD2-CZ2 3.46Å; Y245-W248 HydrophobicContact CD2-CZ2 3.46Å; Y245-W248 VanDerWaalsContact CD2-CZ2 3.46Å; Y245-W248 AromaticContact CD2-NE1 3.21Å; Y245-W248 HydrophobicContact CE1-CH2 4.17Å; Y245-W248 AromaticContact CE1-CZ2 3.79Å; Y245-W248 HydrophobicContact CE1-CZ2 3.79Å; Y245-W248 AromaticContact CE2-CZ2 3.58Å; Y245-W248 HydrophobicContact CE2-CZ2 3.58Å; Y245-W248 HydrophobicContact CG-CD2 4.35Å; Y245-W248 AromaticContact CG-CE2 3.47Å; Y245-W248 VanDerWaalsContact CG-CE2 3.47Å; Y245-W248 HydrophobicContact CG-CH2 4.48Å; Y245-W248 AromaticContact CG-CZ2 3.55Å; Y245-W248 HydrophobicContact CG-CZ2 3.55Å; Y245-W248 AromaticContact CG-NE1 3.4Å; Y245-W248 AromaticContact CZ-CZ2 3.75Å; Y245-W248 PolarHBondContact O-N 2.9Å; Y245-W248 VanDerWaalsContact O-O 3.07Å; Y245-D250 VanDerWaalsContact CD2-OD1 3.3Å; Y245-D250 WeakPolarHBondContact CD2-OD1 3.42Å; Y245-D250 PolarHBondContact N-OD2 2.9Å; Y245-N326 CarbonylContact C-O 3.58Å; Y245-N326 VanDerWaalsContact CA-O 3.23Å; Y245-N326 WeakPolarHBondContact CA-O 3.49Å; Y245-E327 HydrophobicContact CD1-CG 3.59Å; Y245-E327 HydrophobicContact CE1-CG 3.51Å
246	L	88.4	Confident	89.6	Confident	18 Å²	18	43.2 Å²	43.2	9%	0.094	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.3	-171.5	-65.7	178.3	0	0	0	114.7	S202 R204 F209 W316 I324 N326	S202-L246 WeakPolarHBondContact OG-CD2 3.38Å; R204-L246 PolarHBondContact NH1-O 3.1Å; R204-L246 PolarHBondContact NH2-O 2.66Å; F209-L246 HydrophobicContact CB-CD1 3.93Å; F209-L246 HydrophobicContact CB-CD2 4.4Å; F209-L246 HydrophobicContact CD1-CD1 4.24Å; F209-L246 HydrophobicContact CD2-CD1 4.14Å; F209-L246 HydrophobicContact CD2-CD2 3.78Å; F209-L246 HydrophobicContact CE2-CD2 4.38Å; F209-L246 HydrophobicContact CG-CD1 3.84Å; F209-L246 HydrophobicContact CG-CD2 4.25Å; L246-W316 HydrophobicContact CD1-CB 3.79Å; L246-W316 HydrophobicContact CD1-CG 3.82Å; L246-W316 HydrophobicContact CD2-CD2 3.97Å; L246-W316 HydrophobicContact CD2-CG 3.97Å; L246-W316 HydrophobicContact CD2-CZ2 4.49Å; L246-W316 HydrophobicContact CG-CB 4.4Å; L246-W316 HydrophobicContact CG-CD2 4.39Å; L246-W316 HydrophobicContact CG-CG 3.87Å; L246-I324 HydrophobicContact CD1-CG2 3.42Å; L246-I324 VanDerWaalsContact CD1-CG2 3.42Å; L246-N326 PolarHBondContact N-O 2.88Å; L246-N326 PolarHBondContact N-OD1 2.73Å
247	D	85.6	Confident	89.6	Confident	118 Å²	118	45 Å²	45	63%	0.631	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-6.7	-173.1	70.6	-12	0	0	0	115.2	Y245 N326	Y245-D247 VanDerWaalsContact C-N 3.31Å; Y245-D247 PolarHBondContact O-N 3.49Å; D247-N326 VanDerWaalsContact CB-OD1 3.28Å; D247-N326 WeakPolarHBondContact CB-OD1 3.42Å; D247-N326 VanDerWaalsContact CG-CG 3.42Å; D247-N326 PolarHBondContact N-OD1 2.7Å; D247-N326 PolarHBondContact OD1-ND2 2.88Å; D247-N326 PolarHBondContact OD1-OD1 2.83Å; D247-N326 VanDerWaalsContact OD1-OD1 3.13Å; D247-N326 PolarHBondContact OD2-ND2 3.25Å
248	W	81.4	Confident	89.6	Confident	137 Å²	137	45.4 Å²	45.4	52%	0.519	24%	0.237	S	C	.	.	S	Bend	trans	-134.5	175.3	174.9	74.3	27.1	0	0	0	112.4	Y245 D250	Y245-W248 VanDerWaalsContact CB-NE1 3.34Å; Y245-W248 HydrophobicContact CD1-CH2 4.23Å; Y245-W248 AromaticContact CD1-CZ2 3.7Å; Y245-W248 HydrophobicContact CD1-CZ2 3.7Å; Y245-W248 AromaticContact CD2-CE2 3.5Å; Y245-W248 AromaticContact CD2-CZ2 3.46Å; Y245-W248 HydrophobicContact CD2-CZ2 3.46Å; Y245-W248 VanDerWaalsContact CD2-CZ2 3.46Å; Y245-W248 AromaticContact CD2-NE1 3.21Å; Y245-W248 HydrophobicContact CE1-CH2 4.17Å; Y245-W248 AromaticContact CE1-CZ2 3.79Å; Y245-W248 HydrophobicContact CE1-CZ2 3.79Å; Y245-W248 AromaticContact CE2-CZ2 3.58Å; Y245-W248 HydrophobicContact CE2-CZ2 3.58Å; Y245-W248 HydrophobicContact CG-CD2 4.35Å; Y245-W248 AromaticContact CG-CE2 3.47Å; Y245-W248 VanDerWaalsContact CG-CE2 3.47Å; Y245-W248 HydrophobicContact CG-CH2 4.48Å; Y245-W248 AromaticContact CG-CZ2 3.55Å; Y245-W248 HydrophobicContact CG-CZ2 3.55Å; Y245-W248 AromaticContact CG-NE1 3.4Å; Y245-W248 AromaticContact CZ-CZ2 3.75Å; Y245-W248 PolarHBondContact O-N 2.9Å; Y245-W248 VanDerWaalsContact O-O 3.07Å; W248-D250 PolarHBondContact NE1-OD1 2.97Å
249	T	84.1	Confident	89.4	Confident	116 Å²	116	47.5 Å²	47.5	71%	0.712	25%	0.252	S	S	*	.			trans	-97	114.8	173.2	-55	0	0	0	0	110.1	E253	T249-E253 VanDerWaalsContact CA-OE2 3.29Å; T249-E253 WeakPolarHBondContact CA-OE2 3.23Å; T249-E253 HydrophobicContact CG2-CB 4.21Å
250	D	80.9	Confident	89.2	Confident	18 Å²	18	48.9 Å²	48.9	10%	0.096	26%	0.262	C	S	.	.			trans	-71.2	156.9	177.3	-79.5	-67.9	0	0	0	112.9	S244 Y245 W248 E252 E253	S244-D250 VanDerWaalsContact CA-OD2 3.32Å; S244-D250 WeakPolarHBondContact CA-OD2 3.36Å; S244-D250 WeakPolarHBondContact CB-OD2 3.47Å; S244-D250 PolarHBondContact N-OD2 3.13Å; Y245-D250 VanDerWaalsContact CD2-OD1 3.3Å; Y245-D250 WeakPolarHBondContact CD2-OD1 3.42Å; Y245-D250 PolarHBondContact N-OD2 2.9Å; W248-D250 PolarHBondContact NE1-OD1 2.97Å; D250-E252 PolarHBondContact O-N 2.83Å; D250-E253 HydrophobicContact CB-CB 4.08Å; D250-E253 PolarHBondContact N-OE2 3.43Å; D250-E253 WeakPolarHBondContact O-CB 3.49Å; D250-E253 PolarHBondContact O-N 2.84Å; D250-E253 VanDerWaalsContact O-N 3.1Å
251	S	75.1	Confident	89.2	Confident	73 Å²	73	49.2 Å²	49.2	51%	0.51	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	129.7	165.8	66.9	0	0	0	0	108.6	E253 K291	S251-E253 PolarHBondContact O-N 3.01Å; S251-K291 PolarHBondContact OG-NZ 2.86Å
252	E	79.2	Confident	89	Confident	80 Å²	80	51.9 Å²	51.9	37%	0.374	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	7.9	-179.3	-81.4	-163.2	-118.4	0	0	115.9	D250 T289 K291 R292	D250-E252 PolarHBondContact O-N 2.83Å; E252-T289 WeakPolarHBondContact OE2-CB 3.47Å; E252-T289 VanDerWaalsContact OE2-CG2 3.23Å; E252-T289 WeakPolarHBondContact OE2-CG2 3.29Å; E252-T289 PolarHBondContact OE2-OG1 3.03Å; E252-K291 HydrophobicContact CB-CD 4.3Å; E252-R292 WeakPolarHBondContact O-CD 3.49Å; E252-R292 PolarHBondContact O-NH1 2.7Å; E252-R292 IonicContact OE2-CZ 2.68Å; E252-R292 IonicContact OE2-NH1 3.64Å; E252-R292 PolarHBondContact OE2-NH1 3.14Å; E252-R292 IonicContact OE2-NH2 3.65Å
253	E	86.9	Confident	89.1	Confident	24 Å²	24	53.6 Å²	53.6	11%	0.112	29%	0.287	C	S	.	.			trans	-68.7	140.9	168.4	-171.1	-172.3	141.4	0	0	111.2	H240 I241 D243 T249 D250 S251	H240-E253 IonicContact CE1-OE1 3.46Å; H240-E253 IonicContact CG-OE1 3.61Å; H240-E253 IonicContact ND1-OE1 3.92Å; H240-E253 PolarHBondContact ND1-OE1 3.46Å; I241-E253 WeakPolarHBondContact O-CA 2.93Å; D243-E253 HydrophobicContact CB-CG 4.21Å; T249-E253 VanDerWaalsContact CA-OE2 3.29Å; T249-E253 WeakPolarHBondContact CA-OE2 3.23Å; T249-E253 HydrophobicContact CG2-CB 4.21Å; D250-E253 HydrophobicContact CB-CB 4.08Å; D250-E253 PolarHBondContact N-OE2 3.43Å; D250-E253 WeakPolarHBondContact O-CB 3.49Å; D250-E253 PolarHBondContact O-N 2.84Å; D250-E253 VanDerWaalsContact O-N 3.1Å; S251-E253 PolarHBondContact O-N 3.01Å
254	I	93.2	Very high	88.9	Confident	47 Å²	47	54 Å²	54	24%	0.241	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.6	171.7	61.4	176.9	0	0	0	111	H240 I241 M256 I286	H240-I254 WeakPolarHBondContact CA-O 3.17Å; I241-I254 HydrophobicContact CB-CD1 4.41Å; I241-I254 HydrophobicContact CB-CG1 3.89Å; I241-I254 HydrophobicContact CD1-CD1 4.5Å; I241-I254 PolarHBondContact N-O 3.46Å; I241-I254 PolarHBondContact O-N 2.85Å; I254-M256 HydrophobicContact CD1-CG 4.14Å; I254-M256 HydrophobicContact CD1-SD 4.22Å; I254-M256 HydrophobicContact CG1-CG 4.25Å; I254-I286 HydrophobicContact CD1-CB 4Å; I254-I286 HydrophobicContact CD1-CG2 3.53Å
255	L	95.9	Very high	88.8	Confident	93 Å²	93	57.7 Å²	57.7	49%	0.487	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	168.8	-174.7	164.8	0	0	0	109	T238 H240	T238-L255 HydrophobicContact CG2-CD2 4.15Å; H240-L255 WeakPolarHBondContact NE2-CD1 2.95Å
256	M	96.7	Very high	88.8	Confident	25 Å²	25	57.6 Å²	57.6	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.7	179.2	-62.1	-64.7	-67.9	0	0	111.5	V239 I241 I254 I282 V283 S284 I286	V239-M256 HydrophobicContact CG2-CB 3.79Å; V239-M256 PolarHBondContact N-O 3.03Å; V239-M256 PolarHBondContact O-N 3.44Å; I241-M256 HydrophobicContact CD1-CG 4.21Å; I254-M256 HydrophobicContact CD1-CG 4.14Å; I254-M256 HydrophobicContact CD1-SD 4.22Å; I254-M256 HydrophobicContact CG1-CG 4.25Å; M256-I282 HydrophobicContact CB-CB 4.36Å; M256-I282 HydrophobicContact CB-CG2 4.14Å; M256-I282 HydrophobicContact CE-CD1 4.2Å; M256-I282 HydrophobicContact CG-CD1 4.5Å; M256-V283 HydrophobicContact CE-CG2 4.38Å; M256-S284 WeakPolarHBondContact CE-O 3.4Å; M256-S284 WeakPolarHBondContact CE-OG 3.44Å; M256-I286 HydrophobicContact CE-CG2 4.25Å; M256-I286 HydrophobicContact CG-CG2 4.4Å; M256-I286 HydrophobicContact SD-CG2 4.44Å
257	N	97.7	Very high	88.4	Confident	94 Å²	94	58.1 Å²	58.1	50%	0.503	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	153.6	168.6	-68.8	-11.6	0	0	0	110.9	V283	N257-V283 HydrophobicContact CB-CG1 3.95Å; N257-V283 HydrophobicContact CB-CG2 4.12Å; N257-V283 PolarHBondContact O-N 2.78Å; N257-V283 VanDerWaalsContact O-N 3.08Å
258	I	97.9	Very high	87.8	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.5	-178.4	-60	178.8	0	0	0	110.4	L234 W237 V239 S260 I261 I280	L234-I258 HydrophobicContact CD2-CG2 4.08Å; W237-I258 HydrophobicContact CB-CD1 3.64Å; V239-I258 HydrophobicContact CG1-CD1 3.85Å; V239-I258 HydrophobicContact CG1-CG1 4.06Å; I258-S260 WeakPolarHBondContact CG2-O 3.48Å; I258-I261 HydrophobicContact CD1-CD1 4.14Å; I258-I261 HydrophobicContact CD1-CG1 4.49Å; I258-I261 HydrophobicContact CG2-CD1 4.26Å; I258-I261 HydrophobicContact CG2-CG1 3.79Å; I258-I280 HydrophobicContact CB-CG2 4.24Å; I258-I280 HydrophobicContact CD1-CG2 3.79Å; I258-I280 HydrophobicContact CG1-CG2 3.8Å; I258-I280 HydrophobicContact CG2-CG2 3.52Å
259	S	95	Very high	87.2	Confident	60 Å²	60	56.6 Å²	56.6	42%	0.42	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-37.7	172.6	175.3	0	0	0	0	112.5	K281	S259-K281 WeakPolarHBondContact CA-O 3.19Å; S259-K281 WeakPolarHBondContact CB-O 3.18Å; S259-K281 PolarHBondContact N-O 3.44Å
260	S	94.2	Very high	86.2	Confident	30 Å²	30	56.2 Å²	56.2	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	153.4	177.1	63.3	0	0	0	0	112.2	I258 I280 K281	I258-S260 WeakPolarHBondContact CG2-O 3.48Å; S260-I280 WeakPolarHBondContact O-CA 3.4Å; S260-K281 PolarHBondContact N-O 3.12Å; S260-K281 PolarHBondContact O-N 2.91Å; S260-K281 WeakPolarHBondContact OG-CB 3.32Å
261	I	95.7	Very high	85.2	Confident	22 Å²	22	65.2 Å²	65.2	11%	0.113	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.5	171.2	-63.9	165.9	0	0	0	107.6	F228 I232 L234 W237 I258 L279 I280	F228-I261 HydrophobicContact CD1-CD1 3.7Å; F228-I261 HydrophobicContact CD1-CG2 4.14Å; F228-I261 HydrophobicContact CD2-CG2 3.72Å; F228-I261 HydrophobicContact CE1-CD1 3.49Å; F228-I261 VanDerWaalsContact CE1-CD1 3.49Å; F228-I261 HydrophobicContact CE1-CG1 4.25Å; F228-I261 HydrophobicContact CE1-CG2 4.17Å; F228-I261 HydrophobicContact CE2-CG2 3.75Å; F228-I261 HydrophobicContact CG-CG2 3.91Å; F228-I261 HydrophobicContact CZ-CD1 4.16Å; F228-I261 HydrophobicContact CZ-CG1 4.46Å; F228-I261 HydrophobicContact CZ-CG2 3.98Å; I232-I261 HydrophobicContact CD1-CB 3.96Å; I232-I261 HydrophobicContact CD1-CD1 4.33Å; I232-I261 HydrophobicContact CD1-CG2 3.8Å; I232-I261 HydrophobicContact CG2-CD1 3.87Å; L234-I261 HydrophobicContact CD2-CD1 3.94Å; L234-I261 HydrophobicContact CD2-CG1 4.14Å; W237-I261 HydrophobicContact CG-CD1 4.37Å; I258-I261 HydrophobicContact CD1-CD1 4.14Å; I258-I261 HydrophobicContact CD1-CG1 4.49Å; I258-I261 HydrophobicContact CG2-CD1 4.26Å; I258-I261 HydrophobicContact CG2-CG1 3.79Å; I261-L279 CarbonylContact C-O 3.6Å; I261-L279 WeakPolarHBondContact CA-O 3.38Å; I261-I280 HydrophobicContact CG1-CG1 4.44Å; I261-I280 HydrophobicContact CG1-CG2 4.4Å
262	L	89.9	Confident	84.9	Confident	56 Å²	56	65.5 Å²	65.5	29%	0.293	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	94.4	-175.9	-55.5	178.5	0	0	0	109.2	W220 A278 L279	W220-L262 HydrophobicContact CH2-CD1 4.04Å; W220-L262 HydrophobicContact CZ3-CD1 3.99Å; L262-A278 CarbonylContact O-C 3.56Å; L262-A278 WeakPolarHBondContact O-CA 3.42Å; L262-L279 HydrophobicContact CB-CB 4.34Å; L262-L279 PolarHBondContact N-O 3.22Å; L262-L279 PolarHBondContact O-N 3.16Å
263	T	91.3	Very high	84.8	Confident	44 Å²	44	66.8 Å²	66.8	27%	0.27	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143	171.1	58.5	0	0	0	0	110.4	A225 F228 A278	A225-T263 HydrophobicContact CB-CG2 4Å; F228-T263 HydrophobicContact CD2-CG2 4.47Å; T263-A278 HydrophobicContact CG2-CB 4.09Å
264	H	85.1	Confident	84.7	Confident	13 Å²	13	66.5 Å²	66.5	6%	0.06	34%	0.335	C	S	.	.			trans	-57.5	133.2	177.3	-174	-92.5	0	0	0	112.3	N266 Y267 Y275 Y277 K413	H264-N266 VanDerWaalsContact CE1-CB 3.45Å; H264-N266 WeakPolarHBondContact CE1-CB 3.35Å; H264-N266 WeakPolarHBondContact ND1-CB 3.09Å; H264-N266 PolarHBondContact ND1-N 3.07Å; H264-N266 PolarHBondContact O-N 2.98Å; H264-N266 VanDerWaalsContact O-N 3.07Å; H264-Y267 WeakPolarHBondContact O-CB 3.15Å; H264-Y267 PolarHBondContact O-N 2.98Å; H264-Y275 WeakPolarHBondContact CB-O 3.3Å; H264-Y275 AromaticContact CE1-CD1 3.81Å; H264-Y275 AromaticContact CE1-CG 3.66Å; H264-Y275 WeakPolarHBondContact ND1-CB 3.3Å; H264-Y275 AromaticContact ND1-CG 3.56Å; H264-Y277 HydrophobicContact CB-CD1 4.3Å; H264-Y277 HydrophobicContact CB-CD2 4.44Å; H264-Y277 HydrophobicContact CB-CE1 3.95Å; H264-Y277 HydrophobicContact CB-CE2 4.1Å; H264-Y277 AromaticContact CD2-CE1 3.88Å; H264-Y277 AromaticContact CD2-CE2 3.92Å; H264-Y277 AromaticContact CD2-CZ 3.28Å; H264-Y277 PolarHBondContact CD2-OH 2.84Å; H264-Y277 AromaticContact CG-CE1 3.84Å; H264-Y277 AromaticContact CG-CZ 3.66Å; H264-Y277 PolarHBondContact N-O 3.32Å; H264-Y277 VanDerWaalsContact N-O 3.09Å; H264-Y277 PolarHBondContact NE2-OH 3.3Å; H264-K413 PolarHBondContact CE1-NZ 3.14Å; H264-K413 WeakPolarHBondContact NE2-CD 3.3Å; H264-K413 PolarHBondContact NE2-NZ 3.36Å
265	P	85.2	Confident	84.2	Confident	83 Å²	83	66.2 Å²	66.2	54%	0.539	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.1	-177.2	-29.7	34.2	0	0	0	114.6	Y417	P265-Y417 WeakPolarHBondContact CD-OH 3.49Å; P265-Y417 WeakPolarHBondContact CG-OH 3.16Å
266	N	84.6	Confident	83.9	Confident	47 Å²	47	61.8 Å²	61.8	25%	0.251	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.4	-179	-58.1	-4.8	0	0	0	114.5	H264 R268 L269 Y275	H264-N266 VanDerWaalsContact CE1-CB 3.45Å; H264-N266 WeakPolarHBondContact CE1-CB 3.35Å; H264-N266 WeakPolarHBondContact ND1-CB 3.09Å; H264-N266 PolarHBondContact ND1-N 3.07Å; H264-N266 PolarHBondContact O-N 2.98Å; H264-N266 VanDerWaalsContact O-N 3.07Å; N266-R268 PolarHBondContact O-N 2.67Å; N266-R268 VanDerWaalsContact O-N 3.08Å; N266-L269 HydrophobicContact CB-CD1 4.24Å; N266-L269 PolarHBondContact O-N 3.04Å; N266-L269 VanDerWaalsContact O-N 3.09Å; N266-Y275 HydrophobicContact CB-CD2 3.39Å; N266-Y275 HydrophobicContact CB-CE2 3.79Å; N266-Y275 HydrophobicContact CB-CG 4.05Å
267	Y	80.7	Confident	83.5	Confident	29 Å²	29	60.8 Å²	60.8	11%	0.114	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.5	-173.8	172	-119.5	0	0	0	113.3	A225 H226 H264 Y273 D274 D276	A225-Y267 HydrophobicContact CB-CD1 3.34Å; A225-Y267 HydrophobicContact CB-CD2 3.99Å; A225-Y267 HydrophobicContact CB-CE1 3.75Å; A225-Y267 HydrophobicContact CB-CE2 4.32Å; A225-Y267 HydrophobicContact CB-CG 3.52Å; H226-Y267 VanDerWaalsContact CA-OH 3.3Å; H226-Y267 WeakPolarHBondContact CA-OH 3.16Å; H226-Y267 HydrophobicContact CB-CE1 4.42Å; H226-Y267 HydrophobicContact CB-CE2 4.43Å; H226-Y267 WeakPolarHBondContact CB-OH 3.41Å; H264-Y267 WeakPolarHBondContact O-CB 3.15Å; H264-Y267 PolarHBondContact O-N 2.98Å; Y267-Y273 HydrophobicContact CE2-CD1 4.13Å; Y267-D274 VanDerWaalsContact CA-O 3.32Å; Y267-D274 WeakPolarHBondContact CA-O 3.32Å; Y267-D276 VanDerWaalsContact CD2-CA 3.44Å; Y267-D276 HydrophobicContact CD2-CB 3.69Å; Y267-D276 HydrophobicContact CE2-CB 3.54Å; Y267-D276 VanDerWaalsContact CE2-CG 3.49Å; Y267-D276 VanDerWaalsContact CE2-OD1 3.27Å; Y267-D276 WeakPolarHBondContact CE2-OD1 3.31Å
268	R	72.8	Confident	83.2	Confident	105 Å²	105	56.3 Å²	56.3	40%	0.396	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	8.7	-177.9	-61.4	178.3	179.5	145.9	-4.5	114.1	F228 P229 N266 H270	F228-R268 PolarHBondContact O-NH2 3.32Å; P229-R268 VanDerWaalsContact C-NH2 3.3Å; P229-R268 PolarHBondContact O-NH2 3.16Å; N266-R268 PolarHBondContact O-N 2.67Å; N266-R268 VanDerWaalsContact O-N 3.08Å; R268-H270 VanDerWaalsContact C-N 3.33Å
269	L	69.5	Low	83	Confident	119 Å²	119	55.9 Å²	55.9	62%	0.623	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.7	174.2	-62.5	-178.9	0	0	0	111.9	N266	N266-L269 HydrophobicContact CB-CD1 4.24Å; N266-L269 PolarHBondContact O-N 3.04Å; N266-L269 VanDerWaalsContact O-N 3.09Å
270	H	61.9	Low	83	Confident	107 Å²	107	53 Å²	53	50%	0.495	26%	0.256	S	S	.	.	S	Bend	trans	-126.5	164.9	-176.5	-55.1	-72.5	0	0	0	112	R268	R268-H270 VanDerWaalsContact C-N 3.33Å
271	K	59.9	Low	83	Confident	207 Å²	207	53.9 Å²	53.9	90%	0.9	26%	0.256	S	S	*	.	S	Bend	trans	-88.2	1.3	-173.6	-81.1	-172.3	177.1	-179.2	0	115.9
272	L	70.6	Confident	82.9	Confident	79 Å²	79	52.9 Å²	52.9	41%	0.414	25%	0.251	S	S	.	.	S	Bend	trans	-134.6	46.2	-163.3	-70.7	172.4	0	0	0	114.8	D274 K350 M355	L272-D274 PolarHBondContact O-N 3.28Å; L272-K350 HydrophobicContact CD1-CB 4.31Å; L272-M355 WeakPolarHBondContact O-CE 3.48Å
273	Y	77.1	Confident	83.1	Confident	108 Å²	108	54 Å²	54	42%	0.424	26%	0.26	S	S	.	.			trans	52.7	22.7	175.8	-63.1	-93.3	0	0	0	114.6	H226 Y267 D276 F396	H226-Y273 HydrophobicContact CB-CD1 4.22Å; H226-Y273 HydrophobicContact CB-CE1 3.93Å; Y267-Y273 HydrophobicContact CE2-CD1 4.13Å; Y273-D276 WeakPolarHBondContact O-CB 3.03Å; Y273-D276 PolarHBondContact O-N 2.87Å; Y273-F396 HydrophobicContact CD2-CD1 4.11Å; Y273-F396 HydrophobicContact CD2-CE1 4.48Å; Y273-F396 AromaticContact CG-CD1 3.95Å; Y273-F396 HydrophobicContact CG-CD1 3.95Å; Y273-F396 HydrophobicContact CG-CE1 4.38Å
274	D	83.3	Confident	83	Confident	18 Å²	18	54.6 Å²	54.6	10%	0.096	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	139.6	178.3	-166.8	4.1	0	0	0	108.9	Y267 L272 D276 T354 M355	Y267-D274 VanDerWaalsContact CA-O 3.32Å; Y267-D274 WeakPolarHBondContact CA-O 3.32Å; L272-D274 PolarHBondContact O-N 3.28Å; D274-D276 PolarHBondContact O-N 2.04Å; D274-T354 WeakPolarHBondContact OD1-CB 3.14Å; D274-T354 PolarHBondContact OD1-OG1 2.82Å; D274-M355 HydrophobicContact CB-CE 4.2Å
275	Y	84	Confident	83.1	Confident	41 Å²	41	57.6 Å²	57.6	16%	0.161	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	38.5	-172.2	-49	-77.8	0	0	0	114	H264 N266 Y277 T354 K413	H264-Y275 WeakPolarHBondContact CB-O 3.3Å; H264-Y275 AromaticContact CE1-CD1 3.81Å; H264-Y275 AromaticContact CE1-CG 3.66Å; H264-Y275 WeakPolarHBondContact ND1-CB 3.3Å; H264-Y275 AromaticContact ND1-CG 3.56Å; N266-Y275 HydrophobicContact CB-CD2 3.39Å; N266-Y275 HydrophobicContact CB-CE2 3.79Å; N266-Y275 HydrophobicContact CB-CG 4.05Å; Y275-Y277 HydrophobicContact CD1-CE1 4.21Å; Y275-Y277 WeakPolarHBondContact O-CD1 2.86Å; Y275-Y277 PolarHBondContact O-N 3.44Å; Y275-T354 HydrophobicContact CE1-CG2 3.97Å; Y275-K413 VanDerWaalsContact CD1-NZ 3.27Å
276	D	87.8	Confident	83.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.			trans	-75.2	74.5	177.4	-175.3	24	0	0	0	112.4	A225 H226 Y267 Y273 D274 S395 T407	A225-D276 WeakPolarHBondContact CA-OD1 3.1Å; A225-D276 WeakPolarHBondContact CB-OD1 3.1Å; A225-D276 PolarHBondContact N-OD1 2.94Å; H226-D276 IonicContact CE1-OD2 3.11Å; H226-D276 IonicContact CG-OD1 2.72Å; H226-D276 IonicContact CG-OD2 3.1Å; H226-D276 PolarHBondContact N-OD1 3.05Å; H226-D276 IonicContact ND1-OD1 3.3Å; H226-D276 PolarHBondContact ND1-OD1 3.41Å; H226-D276 IonicContact ND1-OD2 2.69Å; H226-D276 PolarHBondContact ND1-OD2 3.27Å; Y267-D276 VanDerWaalsContact CD2-CA 3.44Å; Y267-D276 HydrophobicContact CD2-CB 3.69Å; Y267-D276 HydrophobicContact CE2-CB 3.54Å; Y267-D276 VanDerWaalsContact CE2-CG 3.49Å; Y267-D276 VanDerWaalsContact CE2-OD1 3.27Å; Y267-D276 WeakPolarHBondContact CE2-OD1 3.31Å; Y273-D276 WeakPolarHBondContact O-CB 3.03Å; Y273-D276 PolarHBondContact O-N 2.87Å; D274-D276 PolarHBondContact O-N 2.04Å; D276-S395 WeakPolarHBondContact OD2-CB 3.46Å; D276-S395 PolarHBondContact OD2-OG 2.82Å; D276-T407 PolarHBondContact O-OG1 3.2Å
277	Y	89.7	Confident	83.1	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.012	29%	0.29	C	S	.	.			trans	-149.5	151.5	172.7	65.8	-83.7	0	0	0	111.6	T223 H264 Y275 I393 T407 L410 K413	T223-Y277 CarbonylContact O-C 3.53Å; T223-Y277 VanDerWaalsContact O-CA 3.27Å; T223-Y277 WeakPolarHBondContact O-CA 3.4Å; H264-Y277 HydrophobicContact CB-CD1 4.3Å; H264-Y277 HydrophobicContact CB-CD2 4.44Å; H264-Y277 HydrophobicContact CB-CE1 3.95Å; H264-Y277 HydrophobicContact CB-CE2 4.1Å; H264-Y277 AromaticContact CD2-CE1 3.88Å; H264-Y277 AromaticContact CD2-CE2 3.92Å; H264-Y277 AromaticContact CD2-CZ 3.28Å; H264-Y277 PolarHBondContact CD2-OH 2.84Å; H264-Y277 AromaticContact CG-CE1 3.84Å; H264-Y277 AromaticContact CG-CZ 3.66Å; H264-Y277 PolarHBondContact N-O 3.32Å; H264-Y277 VanDerWaalsContact N-O 3.09Å; H264-Y277 PolarHBondContact NE2-OH 3.3Å; Y275-Y277 HydrophobicContact CD1-CE1 4.21Å; Y275-Y277 WeakPolarHBondContact O-CD1 2.86Å; Y275-Y277 PolarHBondContact O-N 3.44Å; Y277-I393 VanDerWaalsContact CB-CD1 3.45Å; Y277-T407 HydrophobicContact CD1-CG2 3.82Å; Y277-T407 HydrophobicContact CE1-CG2 4.32Å; Y277-L410 HydrophobicContact CD1-CD2 4.42Å; Y277-L410 HydrophobicContact CD2-CD2 4.38Å; Y277-L410 HydrophobicContact CG-CD2 4.05Å; Y277-K413 WeakPolarHBondContact OH-CB 3.26Å; Y277-K413 WeakPolarHBondContact OH-CD 3.16Å
278	A	91.1	Very high	83.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.5	178.9	0	0	0	0	0	110.8	T223 A225 F228 L262 T263	T223-A278 HydrophobicContact CG2-CB 4.27Å; T223-A278 PolarHBondContact N-O 3.3Å; T223-A278 PolarHBondContact O-N 2.91Å; A225-A278 HydrophobicContact CB-CB 4.29Å; F228-A278 HydrophobicContact CD2-CB 4.27Å; F228-A278 HydrophobicContact CE2-CB 3.99Å; L262-A278 CarbonylContact O-C 3.56Å; L262-A278 WeakPolarHBondContact O-CA 3.42Å; T263-A278 HydrophobicContact CG2-CB 4.09Å
279	L	92.6	Very high	83.6	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.9	170.6	-67.9	170.4	0	0	0	109.7	I216 W220 L221 L222 I261 L262 I414 Y417	I216-L279 HydrophobicContact CD1-CD2 3.73Å; W220-L279 HydrophobicContact CE3-CB 4.07Å; W220-L279 HydrophobicContact CZ3-CB 4.05Å; L221-L279 WeakPolarHBondContact O-CA 3.48Å; L222-L279 HydrophobicContact CD1-CD2 3.89Å; I261-L279 CarbonylContact C-O 3.6Å; I261-L279 WeakPolarHBondContact CA-O 3.38Å; L262-L279 HydrophobicContact CB-CB 4.34Å; L262-L279 PolarHBondContact N-O 3.22Å; L262-L279 PolarHBondContact O-N 3.16Å; L279-I414 HydrophobicContact CD2-CG1 4.4Å; L279-Y417 HydrophobicContact CD1-CD2 4.11Å; L279-Y417 HydrophobicContact CD1-CG 3.91Å
280	I	96.9	Very high	84	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	169.9	-50.1	176.5	0	0	0	107.6	V203 W220 L221 T223 F228 V239 I258 S260 I261	V203-I280 HydrophobicContact CG1-CD1 4.26Å; V203-I280 HydrophobicContact CG2-CD1 3.9Å; W220-I280 WeakPolarHBondContact CA-O 3.26Å; L221-I280 HydrophobicContact CB-CB 4.07Å; L221-I280 HydrophobicContact CD1-CB 4.19Å; L221-I280 HydrophobicContact CD1-CD1 4.33Å; L221-I280 HydrophobicContact CD1-CG2 4.32Å; L221-I280 HydrophobicContact CG-CB 4.39Å; L221-I280 PolarHBondContact N-O 3.09Å; L221-I280 PolarHBondContact O-N 2.78Å; T223-I280 HydrophobicContact CG2-CD1 3.94Å; T223-I280 HydrophobicContact CG2-CG1 4.06Å; F228-I280 HydrophobicContact CZ-CD1 3.82Å; F228-I280 HydrophobicContact CZ-CG1 4.09Å; V239-I280 HydrophobicContact CG1-CD1 4.17Å; I258-I280 HydrophobicContact CB-CG2 4.24Å; I258-I280 HydrophobicContact CD1-CG2 3.79Å; I258-I280 HydrophobicContact CG1-CG2 3.8Å; I258-I280 HydrophobicContact CG2-CG2 3.52Å; S260-I280 WeakPolarHBondContact O-CA 3.4Å; I261-I280 HydrophobicContact CG1-CG1 4.44Å; I261-I280 HydrophobicContact CG1-CG2 4.4Å
281	K	93.1	Very high	84.9	Confident	48 Å²	48	53.4 Å²	53.4	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.4	167.9	-166.5	178.4	-175.5	173.2	0	108.7	Q219 W220 S259 S260	Q219-K281 HydrophobicContact CG-CG 4.32Å; Q219-K281 WeakPolarHBondContact O-CA 3.23Å; W220-K281 HydrophobicContact CD2-CB 4.32Å; W220-K281 HydrophobicContact CD2-CG 4.27Å; W220-K281 HydrophobicContact CE3-CB 3.87Å; W220-K281 HydrophobicContact CE3-CG 4.32Å; W220-K281 HydrophobicContact CH2-CB 3.89Å; W220-K281 HydrophobicContact CH2-CD 3.85Å; W220-K281 HydrophobicContact CH2-CG 4.09Å; W220-K281 HydrophobicContact CZ2-CB 4.3Å; W220-K281 HydrophobicContact CZ2-CD 3.69Å; W220-K281 HydrophobicContact CZ2-CG 4Å; W220-K281 HydrophobicContact CZ3-CB 3.65Å; W220-K281 HydrophobicContact CZ3-CD 4.47Å; W220-K281 HydrophobicContact CZ3-CG 4.24Å; S259-K281 WeakPolarHBondContact CA-O 3.19Å; S259-K281 WeakPolarHBondContact CB-O 3.18Å; S259-K281 PolarHBondContact N-O 3.44Å; S260-K281 PolarHBondContact N-O 3.12Å; S260-K281 PolarHBondContact O-N 2.91Å; S260-K281 WeakPolarHBondContact OG-CB 3.32Å
282	I	93.9	Very high	86.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	155.3	172.5	55.6	177.9	0	0	0	111	Q219 L221 V239 I241 M256 S284 I286	Q219-I282 HydrophobicContact CB-CG1 4.42Å; Q219-I282 HydrophobicContact CG-CG1 3.85Å; Q219-I282 VanDerWaalsContact CG-O 3.26Å; Q219-I282 WeakPolarHBondContact CG-O 3.44Å; Q219-I282 PolarHBondContact NE2-O 2.85Å; Q219-I282 WeakPolarHBondContact O-CG1 3.17Å; Q219-I282 PolarHBondContact O-N 2.8Å; Q219-I282 VanDerWaalsContact O-N 3.11Å; L221-I282 HydrophobicContact CD1-CG2 4.1Å; L221-I282 HydrophobicContact CG-CG2 4.5Å; V239-I282 HydrophobicContact CG2-CG2 3.54Å; I241-I282 HydrophobicContact CD1-CD1 4.13Å; M256-I282 HydrophobicContact CB-CB 4.36Å; M256-I282 HydrophobicContact CB-CG2 4.14Å; M256-I282 HydrophobicContact CE-CD1 4.2Å; M256-I282 HydrophobicContact CG-CD1 4.5Å; I282-S284 VanDerWaalsContact C-N 3.26Å; I282-S284 WeakPolarHBondContact CD1-O 3.2Å; I282-S284 PolarHBondContact O-N 3.13Å; I282-I286 HydrophobicContact CD1-CG2 3.54Å
283	V	94.6	Very high	87	Confident	79 Å²	79	43.8 Å²	43.8	48%	0.479	22%	0.218	S	C	.	.	S	Bend	trans	-61.3	-29.6	-171.7	-69.3	0	0	0	0	114.5	M256 N257	M256-V283 HydrophobicContact CE-CG2 4.38Å; N257-V283 HydrophobicContact CB-CG1 3.95Å; N257-V283 HydrophobicContact CB-CG2 4.12Å; N257-V283 PolarHBondContact O-N 2.78Å; N257-V283 VanDerWaalsContact O-N 3.08Å
284	S	88.9	Confident	87.7	Confident	57 Å²	57	39 Å²	39	40%	0.399	20%	0.2	S	C	.	.	S	Bend	trans	-144.7	149.4	176.9	59.2	0	0	0	0	111.3	M256 I282	M256-S284 WeakPolarHBondContact CE-O 3.4Å; M256-S284 WeakPolarHBondContact CE-OG 3.44Å; I282-S284 VanDerWaalsContact C-N 3.26Å; I282-S284 WeakPolarHBondContact CD1-O 3.2Å; I282-S284 PolarHBondContact O-N 3.13Å
285	P	86.3	Confident	88.1	Confident	77 Å²	77	38.2 Å²	38.2	50%	0.5	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-59.3	140.3	174.3	-20.6	30.8	0	0	0	112.1	S218 Q219	S218-P285 CarbonylContact O-C 3.56Å; S218-P285 VanDerWaalsContact O-CA 3.26Å; S218-P285 WeakPolarHBondContact O-CA 3.38Å; Q219-P285 HydrophobicContact CB-CB 4.46Å; Q219-P285 HydrophobicContact CB-CG 4.4Å; Q219-P285 HydrophobicContact CG-CG 4.38Å
286	I	86.7	Confident	88.3	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.077	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-87	157.2	173.7	71.4	168.6	0	0	0	111.2	L215 S218 I241 I254 M256 I282 Y288 R292	L215-I286 HydrophobicContact CD1-CD1 3.96Å; L215-I286 HydrophobicContact CD2-CD1 3.6Å; L215-I286 HydrophobicContact CG-CD1 4.47Å; S218-I286 PolarHBondContact O-N 3.36Å; I241-I286 HydrophobicContact CD1-CD1 4.28Å; I241-I286 HydrophobicContact CD1-CG2 4.09Å; I241-I286 HydrophobicContact CG2-CD1 4.11Å; I254-I286 HydrophobicContact CD1-CB 4Å; I254-I286 HydrophobicContact CD1-CG2 3.53Å; M256-I286 HydrophobicContact CE-CG2 4.25Å; M256-I286 HydrophobicContact CG-CG2 4.4Å; M256-I286 HydrophobicContact SD-CG2 4.44Å; I282-I286 HydrophobicContact CD1-CG2 3.54Å; I286-Y288 HydrophobicContact CD1-CD1 4.5Å; I286-Y288 HydrophobicContact CG1-CD1 4.29Å; I286-Y288 HydrophobicContact CG1-CE1 4.38Å; I286-R292 HydrophobicContact CD1-CB 4.23Å
287	Q	83.6	Confident	88.2	Confident	167 Å²	167	39.2 Å²	39.2	78%	0.78	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-86.7	128.8	166.3	-66.9	-177.2	-23.4	0	0	110.1	R292	Q287-R292 PolarHBondContact O-NH2 3.43Å
288	Y	83.4	Confident	87.6	Confident	93 Å²	93	39.9 Å²	39.9	37%	0.365	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-72.9	144.1	177.6	-59.5	-30.3	0	0	0	112.3	L215 S217 S218 I286 R292 P294	L215-Y288 HydrophobicContact CD2-CE1 4.44Å; S217-Y288 VanDerWaalsContact C-OH 3.3Å; S218-Y288 WeakPolarHBondContact CA-OH 3.49Å; S218-Y288 PolarHBondContact N-OH 3.24Å; I286-Y288 HydrophobicContact CD1-CD1 4.5Å; I286-Y288 HydrophobicContact CG1-CD1 4.29Å; I286-Y288 HydrophobicContact CG1-CE1 4.38Å; Y288-R292 CarbonylContact C-O 3.59Å; Y288-R292 WeakPolarHBondContact CA-O 3.16Å; Y288-P294 HydrophobicContact CE1-CG 4.3Å; Y288-P294 HydrophobicContact CE2-CG 4.36Å
289	T	81.3	Confident	86.4	Confident	35 Å²	35	41.7 Å²	41.7	22%	0.215	22%	0.218	C	C	.	.			trans	-137	-170.2	174	66.5	0	0	0	0	110.6	E252 K291 R292 R293	E252-T289 WeakPolarHBondContact OE2-CB 3.47Å; E252-T289 VanDerWaalsContact OE2-CG2 3.23Å; E252-T289 WeakPolarHBondContact OE2-CG2 3.29Å; E252-T289 PolarHBondContact OE2-OG1 3.03Å; T289-K291 PolarHBondContact OG1-N 2.99Å; T289-R292 PolarHBondContact N-O 3.11Å; T289-R292 PolarHBondContact OG1-N 2.72Å; T289-R292 PolarHBondContact OG1-NH1 2.84Å; T289-R293 PolarHBondContact O-NE 2.91Å; T289-R293 PolarHBondContact O-NH2 3.27Å
290	S	77.8	Confident	84.8	Confident	49 Å²	49	42.6 Å²	42.6	34%	0.343	22%	0.223	S	C	.	.	S	Bend	trans	-66.9	-26	170.4	49.7	0	0	0	0	112.8	P198	P198-S290 WeakPolarHBondContact CB-O 3.23Å
291	K	80	Confident	82.8	Confident	42 Å²	42	45.8 Å²	45.8	18%	0.183	24%	0.243	C	C	.	.	S	Bend	trans	-104.7	-10.2	-178.1	-56.1	-169.3	-179.3	-178.1	0	114.6	P198 S251 E252 T289	P198-K291 WeakPolarHBondContact CA-O 3.11Å; P198-K291 VanDerWaalsContact CB-C 3.48Å; P198-K291 WeakPolarHBondContact CB-O 3.27Å; P198-K291 VanDerWaalsContact O-O 3.12Å; S251-K291 PolarHBondContact OG-NZ 2.86Å; E252-K291 HydrophobicContact CB-CD 4.3Å; T289-K291 PolarHBondContact OG1-N 2.99Å
292	R	86.5	Confident	80.8	Confident	23 Å²	23	50 Å²	50	9%	0.087	27%	0.267	C	S	.	.	S	Bend	trans	-132.2	99.7	177.6	-59.2	-171.3	-55.5	-67.9	-6.7	110.6	P198 I241 E252 I286 Q287 Y288 T289	P198-R292 CarbonylContact O-C 3.57Å; P198-R292 VanDerWaalsContact O-CA 3.26Å; P198-R292 WeakPolarHBondContact O-CA 3.47Å; I241-R292 HydrophobicContact CG2-CB 4.29Å; I241-R292 HydrophobicContact CG2-CG 3.99Å; E252-R292 WeakPolarHBondContact O-CD 3.49Å; E252-R292 PolarHBondContact O-NH1 2.7Å; E252-R292 IonicContact OE2-CZ 2.68Å; E252-R292 IonicContact OE2-NH1 3.64Å; E252-R292 PolarHBondContact OE2-NH1 3.14Å; E252-R292 IonicContact OE2-NH2 3.65Å; I286-R292 HydrophobicContact CD1-CB 4.23Å; Q287-R292 PolarHBondContact O-NH2 3.43Å; Y288-R292 CarbonylContact C-O 3.59Å; Y288-R292 WeakPolarHBondContact CA-O 3.16Å; T289-R292 PolarHBondContact N-O 3.11Å; T289-R292 PolarHBondContact OG1-N 2.72Å; T289-R292 PolarHBondContact OG1-NH1 2.84Å
293	R	88.1	Confident	79	Confident	61 Å²	61	53.5 Å²	53.5	23%	0.23	28%	0.284	C	S	.	.			trans	-161.2	154.2	178.3	58	179.8	55.2	176.1	-1.5	111.2	L166 P198 W199 L215 T289	L166-R293 WeakPolarHBondContact O-CD 2.79Å; P198-R293 CarbonylContact C-O 3.55Å; P198-R293 HydrophobicContact CB-CG 3.7Å; P198-R293 HydrophobicContact CG-CG 3.41Å; P198-R293 VanDerWaalsContact CG-CG 3.41Å; P198-R293 PolarHBondContact O-N 2.82Å; W199-R293 VanDerWaalsContact CA-O 3.29Å; W199-R293 WeakPolarHBondContact CA-O 3.41Å; W199-R293 VanDerWaalsContact CB-O 3.29Å; W199-R293 WeakPolarHBondContact CB-O 3.31Å; W199-R293 PolarHBondContact N-O 3.13Å; L215-R293 VanDerWaalsContact CD2-C 3.49Å; T289-R293 PolarHBondContact O-NE 2.91Å; T289-R293 PolarHBondContact O-NH2 3.27Å
294	P	91.6	Very high	77.5	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.052	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-76.9	150.8	-169.4	30.1	-35.9	0	0	0	113.3	C164 G165 L215 I216 Y288	C164-P294 CarbonylContact C-O 3.43Å; C164-P294 VanDerWaalsContact CA-O 3.24Å; C164-P294 WeakPolarHBondContact CA-O 2.84Å; C164-P294 HydrophobicContact CB-CB 4.46Å; C164-P294 HydrophobicContact CB-CG 4.17Å; G165-P294 PolarHBondContact N-O 3.36Å; L215-P294 HydrophobicContact CG-CB 4.34Å; L215-P294 CarbonylContact O-C 3.5Å; L215-P294 WeakPolarHBondContact O-CA 3.4Å; L215-P294 WeakPolarHBondContact O-CB 3.33Å; I216-P294 VanDerWaalsContact C-CB 3.5Å; Y288-P294 HydrophobicContact CE1-CG 4.3Å; Y288-P294 HydrophobicContact CE2-CG 4.36Å
295	I	92.6	Very high	76.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-80.5	152.5	163.2	-166.7	163	0	0	0	110.2	W199 L215 I216 M377 W388 Q390	W199-I295 HydrophobicContact CB-CB 4.09Å; W199-I295 HydrophobicContact CB-CG2 4.44Å; W199-I295 HydrophobicContact CD2-CB 3.62Å; W199-I295 HydrophobicContact CD2-CD1 4.19Å; W199-I295 HydrophobicContact CD2-CG1 4.13Å; W199-I295 HydrophobicContact CE3-CB 3.94Å; W199-I295 HydrophobicContact CE3-CG1 4.41Å; W199-I295 HydrophobicContact CG-CB 3.68Å; W199-I295 HydrophobicContact CG-CG2 4.29Å; W199-I295 HydrophobicContact CZ2-CD1 3.81Å; W199-I295 HydrophobicContact CZ2-CG1 4.25Å; L215-I295 PolarHBondContact O-N 2.87Å; I216-I295 HydrophobicContact CG2-CG2 4.45Å; I295-M377 HydrophobicContact CD1-CB 3.9Å; I295-M377 HydrophobicContact CD1-CG 3.52Å; I295-M377 HydrophobicContact CD1-SD 4.08Å; I295-W388 HydrophobicContact CD1-CB 4.22Å; I295-W388 HydrophobicContact CG1-CB 4.29Å; I295-W388 VanDerWaalsContact CG1-O 3.25Å; I295-W388 WeakPolarHBondContact CG1-O 3Å; I295-Q390 HydrophobicContact CD1-CB 3.86Å; I295-Q390 HydrophobicContact CG1-CB 4.18Å; I295-Q390 HydrophobicContact CG2-CB 3.84Å
296	C	87.8	Confident	75.3	Confident	10 Å²	10	56.8 Å²	56.8	7%	0.068	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.3	172.5	-64.6	0	0	0	0	110.6	C164 W388 Y389 Q390	C164-C296 HydrophobicContact CB-CB 4Å; C164-C296 WeakPolarHBondContact CB-SG 3.39Å; C164-C296 PolarHBondContact O-SG 3.11Å; C164-C296 WeakPolarHBondContact SG-CA 3.35Å; C164-C296 WeakPolarHBondContact SG-CB 3.38Å; C164-C296 CovalentContact SG-SG 2.05Å; C164-C296 PolarHBondContact SG-SG 3.46Å; C296-W388 WeakPolarHBondContact CB-O 3.14Å; C296-W388 PolarHBondContact N-O 3.42Å; C296-Y389 HydrophobicContact CB-CD1 3.42Å; C296-Y389 VanDerWaalsContact CB-CD1 3.42Å; C296-Y389 HydrophobicContact CB-CE1 3.62Å; C296-Y389 HydrophobicContact CB-CG 4.19Å; C296-Y389 CarbonylContact O-C 3.56Å; C296-Y389 WeakPolarHBondContact O-CA 3.48Å; C296-Q390 PolarHBondContact O-N 2.95Å
297	I	84.9	Confident	74.5	Confident	52 Å²	52	60.5 Å²	60.5	27%	0.267	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.7	168.9	-58.2	-52.7	0	0	0	107.7	I216 L222 Q390 P411	I216-I297 HydrophobicContact CB-CD1 4.37Å; I216-I297 HydrophobicContact CB-CG1 4.36Å; I216-I297 HydrophobicContact CG2-CD1 3.68Å; I216-I297 HydrophobicContact CG2-CG1 4.19Å; L222-I297 HydrophobicContact CD2-CD1 3.99Å; I297-Q390 HydrophobicContact CD1-CB 3.88Å; I297-Q390 HydrophobicContact CD1-CG 4.42Å; I297-P411 HydrophobicContact CG2-CB 4.24Å; I297-P411 HydrophobicContact CG2-CG 4.1Å
298	L	77.5	Confident	74	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.089	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-99.1	135.5	177.2	-179.7	66.8	0	0	0	111.2	T300 M303 L308 L380 Y389 Q390 I391 P411	L298-T300 PolarHBondContact O-N 2.69Å; L298-M303 HydrophobicContact CD1-CE 4.13Å; L298-M303 HydrophobicContact CD1-SD 3.9Å; L298-M303 HydrophobicContact CD2-SD 3.97Å; L298-M303 HydrophobicContact CG-SD 4.39Å; L298-L308 HydrophobicContact CD2-CD2 3.76Å; L298-L380 HydrophobicContact CD2-CD2 3.8Å; L298-Y389 HydrophobicContact CB-CD1 3.73Å; L298-Y389 HydrophobicContact CB-CG 4.03Å; L298-Y389 HydrophobicContact CD1-CD1 4.15Å; L298-Y389 HydrophobicContact CD1-CE1 4.38Å; L298-Y389 HydrophobicContact CG-CD1 4.44Å; L298-Q390 PolarHBondContact N-O 3.35Å; L298-I391 HydrophobicContact CB-CG2 4.22Å; L298-I391 HydrophobicContact CD2-CG2 3.9Å; L298-P411 WeakPolarHBondContact O-CG 3.33Å
299	D	65.4	Low	73.5	Confident	39 Å²	39	50.1 Å²	50.1	21%	0.209	27%	0.266	C	S	.	.			trans	-76.3	96.6	167.3	-157.1	-20.6	0	0	0	113	T301 L302 P411	D299-T301 VanDerWaalsContact CG-OG1 3.23Å; D299-T301 PolarHBondContact O-N 2.79Å; D299-T301 WeakPolarHBondContact OD1-CB 3.29Å; D299-T301 PolarHBondContact OD1-N 3.1Å; D299-T301 PolarHBondContact OD1-OG1 3.26Å; D299-T301 PolarHBondContact OD2-OG1 3.31Å; D299-L302 HydrophobicContact CB-CD1 3.97Å; D299-L302 HydrophobicContact CB-CG 4.15Å; D299-L302 PolarHBondContact O-N 3.04Å; D299-L302 VanDerWaalsContact O-N 3.17Å; D299-P411 HydrophobicContact CB-CB 3.72Å; D299-P411 HydrophobicContact CB-CG 4.24Å
300	T	59.6	Low	73.2	Confident	21 Å²	21	49.9 Å²	49.9	13%	0.129	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-69	-14.2	177.3	55.6	0	0	0	0	113.5	L298 L302 M303 I391 N408	L298-T300 PolarHBondContact O-N 2.69Å; T300-L302 PolarHBondContact O-N 3.15Å; T300-M303 PolarHBondContact O-N 2.76Å; T300-M303 VanDerWaalsContact O-O 3.09Å; T300-I391 HydrophobicContact CG2-CB 3.86Å; T300-I391 HydrophobicContact CG2-CG2 4.12Å; T300-N408 WeakPolarHBondContact CB-OD1 3.38Å; T300-N408 WeakPolarHBondContact CG2-OD1 3.42Å; T300-N408 PolarHBondContact OG1-O 3.06Å; T300-N408 PolarHBondContact OG1-OD1 3.05Å
301	T	56.1	Low	73.4	Confident	68 Å²	68	47.9 Å²	47.9	42%	0.417	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.8	-14.8	172.7	67	0	0	0	0	112.7	D299 I412	D299-T301 VanDerWaalsContact CG-OG1 3.23Å; D299-T301 PolarHBondContact O-N 2.79Å; D299-T301 WeakPolarHBondContact OD1-CB 3.29Å; D299-T301 PolarHBondContact OD1-N 3.1Å; D299-T301 PolarHBondContact OD1-OG1 3.26Å; D299-T301 PolarHBondContact OD2-OG1 3.31Å; T301-I412 HydrophobicContact CG2-CD1 3.75Å
302	L	50.8	Low	73.7	Confident	137 Å²	137	47.2 Å²	47.2	72%	0.717	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-101.7	0	-178.9	-57.8	179	0	0	0	113.3	D299 T300	D299-L302 HydrophobicContact CB-CD1 3.97Å; D299-L302 HydrophobicContact CB-CG 4.15Å; D299-L302 PolarHBondContact O-N 3.04Å; D299-L302 VanDerWaalsContact O-N 3.17Å; T300-L302 PolarHBondContact O-N 3.15Å
303	M	55.3	Low	73.6	Confident	72 Å²	72	46.3 Å²	46.3	36%	0.355	24%	0.24	S	C	.	.	S	Bend	trans	-142	150.3	-173.1	-74.1	-171.8	-178.6	0	0	113.3	L298 T300 E307 L380	L298-M303 HydrophobicContact CD1-CE 4.13Å; L298-M303 HydrophobicContact CD1-SD 3.9Å; L298-M303 HydrophobicContact CD2-SD 3.97Å; L298-M303 HydrophobicContact CG-SD 4.39Å; T300-M303 PolarHBondContact O-N 2.76Å; T300-M303 VanDerWaalsContact O-O 3.09Å; M303-E307 WeakPolarHBondContact CA-OE2 3.5Å; M303-E307 VanDerWaalsContact CB-OE2 3.27Å; M303-E307 WeakPolarHBondContact CB-OE2 3.48Å; M303-E307 VanDerWaalsContact CG-OE2 3.3Å; M303-E307 WeakPolarHBondContact CG-OE2 3.34Å; M303-L380 HydrophobicContact CE-CD1 4.15Å; M303-L380 HydrophobicContact CE-CD2 4.09Å; M303-L380 HydrophobicContact SD-CD2 3.41Å; M303-L380 WeakPolarHBondContact SD-CD2 3.19Å
304	N	63.8	Low	73.7	Confident	86 Å²	86	43.4 Å²	43.4	46%	0.46	23%	0.23	S	C	.	.			trans	-85	145	173.4	-170.8	-9.1	0	0	0	109.6	N306 E307	N304-N306 PolarHBondContact O-N 2.89Å; N304-N306 PolarHBondContact OD1-N 3.36Å; N304-E307 HydrophobicContact CB-CG 4.45Å; N304-E307 PolarHBondContact N-OE2 3.43Å; N304-E307 WeakPolarHBondContact O-CB 3.4Å; N304-E307 PolarHBondContact O-N 3.38Å
305	T	63.3	Low	73.7	Confident	71 Å²	71	43.1 Å²	43.1	44%	0.436	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-57.2	-22.7	175.8	52.3	0	0	0	0	113.2	E307 L308	T305-E307 PolarHBondContact O-N 3Å; T305-L308 PolarHBondContact O-N 3.49Å
306	N	65.2	Low	73.5	Confident	126 Å²	126	43 Å²	43	67%	0.674	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-70.5	-13.5	176.9	-59.9	-4	0	0	0	113.5	N304 L308	N304-N306 PolarHBondContact O-N 2.89Å; N304-N306 PolarHBondContact OD1-N 3.36Å; N306-L308 VanDerWaalsContact C-N 3.32Å
307	E	69.4	Low	72.7	Confident	92 Å²	92	42.9 Å²	42.9	43%	0.43	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-90.6	-1.2	176.1	-61.2	172	163.4	0	0	111.9	M303 N304 T305 H381	M303-E307 WeakPolarHBondContact CA-OE2 3.5Å; M303-E307 VanDerWaalsContact CB-OE2 3.27Å; M303-E307 WeakPolarHBondContact CB-OE2 3.48Å; M303-E307 VanDerWaalsContact CG-OE2 3.3Å; M303-E307 WeakPolarHBondContact CG-OE2 3.34Å; N304-E307 HydrophobicContact CB-CG 4.45Å; N304-E307 PolarHBondContact N-OE2 3.43Å; N304-E307 WeakPolarHBondContact O-CB 3.4Å; N304-E307 PolarHBondContact O-N 3.38Å; T305-E307 PolarHBondContact O-N 3Å; E307-H381 VanDerWaalsContact O-CB 3.31Å; E307-H381 WeakPolarHBondContact O-CB 3.36Å; E307-H381 PolarHBondContact O-N 3.28Å
308	L	74.4	Confident	71.5	Confident	24 Å²	24	41.3 Å²	41.3	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.1	179.3	-64.9	165.1	0	0	0	109.8	L298 T305 N306 L335 C378 L380 I391	L298-L308 HydrophobicContact CD2-CD2 3.76Å; T305-L308 PolarHBondContact O-N 3.49Å; N306-L308 VanDerWaalsContact C-N 3.32Å; L308-L335 HydrophobicContact CB-CD1 4.04Å; L308-L335 HydrophobicContact CD1-CD1 3.88Å; L308-C378 HydrophobicContact CB-CB 4.3Å; L308-C378 HydrophobicContact CD2-CB 3.95Å; L308-L380 HydrophobicContact CD2-CD2 3.82Å; L308-I391 HydrophobicContact CD1-CD1 3.91Å; L308-I391 HydrophobicContact CD1-CG2 4.17Å; L308-I391 HydrophobicContact CD2-CG2 4.14Å
309	D	71.3	Confident	70.1	Confident	18 Å²	18	42 Å²	42	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.1	178.8	-172	14.7	0	0	0	109.6	C311 Q379 H381	D309-C311 PolarHBondContact O-N 2.97Å; D309-Q379 PolarHBondContact N-O 3.29Å; D309-Q379 PolarHBondContact O-N 2.96Å; D309-H381 HydrophobicContact CB-CB 4.34Å; D309-H381 IonicContact OD2-ND1 2.69Å
310	R	75.9	Confident	69.1	Low	31 Å²	31	46.8 Å²	46.8	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.6	58.5	177.2	-60.7	-172	-68.6	-108.7	-5.7	111.9	N125 Y312 W388	N125-R310 PolarHBondContact ND2-NH1 2.87Å; N125-R310 VanDerWaalsContact ND2-NH1 3.14Å; N125-R310 PolarHBondContact O-NH1 3.15Å; R310-Y312 HydrophobicContact CB-CE2 4.32Å; R310-Y312 WeakPolarHBondContact O-CD2 3.35Å; R310-W388 WeakPolarHBondContact O-CZ3 3.01Å
311	C	81.3	Confident	68.4	Low	6 Å²	6	53.3 Å²	53.3	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.5	176.4	-65.5	0	0	0	0	111.9	D309 R332 I333 L335 L376 M377 C378	D309-C311 PolarHBondContact O-N 2.97Å; C311-R332 CarbonylContact O-C 3.52Å; C311-R332 VanDerWaalsContact O-CA 3.32Å; C311-R332 WeakPolarHBondContact O-CA 3.38Å; C311-I333 HydrophobicContact CB-CG2 4.44Å; C311-I333 VanDerWaalsContact CB-O 3.3Å; C311-I333 WeakPolarHBondContact CB-O 3.28Å; C311-I333 PolarHBondContact O-N 2.98Å; C311-L335 HydrophobicContact CB-CD2 4.42Å; C311-L376 HydrophobicContact CB-CD1 4.41Å; C311-M377 CarbonylContact C-O 3.53Å; C311-M377 WeakPolarHBondContact CA-O 3.32Å; C311-C378 HydrophobicContact CB-CB 4.16Å; C311-C378 WeakPolarHBondContact CB-SG 3.09Å; C311-C378 WeakPolarHBondContact SG-CB 3.24Å; C311-C378 CovalentContact SG-SG 2.04Å; C311-C378 PolarHBondContact SG-SG 2.99Å
312	Y	86.4	Confident	68.1	Low	28 Å²	28	52.3 Å²	52.3	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147	-179.6	-75.2	-99.5	0	0	0	110.9	W197 R310 H330 L331 R332 M377 W388	W197-Y312 HydrophobicContact CH2-CD2 4.37Å; W197-Y312 HydrophobicContact CH2-CG 4.17Å; W197-Y312 HydrophobicContact CZ2-CD1 4.2Å; W197-Y312 HydrophobicContact CZ2-CG 4.19Å; R310-Y312 HydrophobicContact CB-CE2 4.32Å; R310-Y312 WeakPolarHBondContact O-CD2 3.35Å; Y312-H330 HydrophobicContact CD1-CB 4.48Å; Y312-H330 AromaticContact CD1-CD2 3.69Å; Y312-H330 AromaticContact CE1-CD2 3.69Å; Y312-L331 VanDerWaalsContact CA-O 3.26Å; Y312-L331 WeakPolarHBondContact CA-O 3.45Å; Y312-R332 HydrophobicContact CD1-CB 4.03Å; Y312-R332 VanDerWaalsContact CD1-N 3.35Å; Y312-R332 HydrophobicContact CE1-CB 3.57Å; Y312-R332 HydrophobicContact CE2-CB 4.2Å; Y312-R332 HydrophobicContact CE2-CG 4.3Å; Y312-M377 PolarHBondContact N-O 2.89Å; Y312-M377 PolarHBondContact O-N 3.35Å; Y312-W388 AromaticContact CD2-CH2 3.55Å; Y312-W388 HydrophobicContact CD2-CH2 3.55Å; Y312-W388 AromaticContact CD2-CZ3 3.76Å; Y312-W388 HydrophobicContact CD2-CZ3 3.76Å; Y312-W388 AromaticContact CE2-CH2 3.88Å; Y312-W388 HydrophobicContact CE2-CH2 3.88Å; Y312-W388 HydrophobicContact CE2-CZ3 4.49Å; Y312-W388 HydrophobicContact CG-CH2 4.48Å
313	V	86	Confident	68.7	Low	4 Å²	4	50.1 Å²	50.1	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.4	157.4	-67.6	0	0	0	0	108.2	H330 L331 I333 L376 V394	V313-H330 CarbonylContact O-C 3.5Å; V313-H330 WeakPolarHBondContact O-CA 3.2Å; V313-H330 WeakPolarHBondContact O-CB 3.4Å; V313-L331 HydrophobicContact CG2-CB 3.89Å; V313-L331 PolarHBondContact N-O 3.16Å; V313-L331 PolarHBondContact O-N 2.93Å; V313-I333 HydrophobicContact CG1-CG2 4.29Å; V313-L376 HydrophobicContact CG1-CD1 3.88Å; V313-V394 HydrophobicContact CB-CG2 4.48Å; V313-V394 HydrophobicContact CG1-CG2 3.86Å
314	A	89.7	Confident	69.4	Low	1 Å²	1	49.7 Å²	49.7	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.5	172.4	0	0	0	0	0	109.9	W197 M200 L328 R329 H330 S374 M377	W197-A314 HydrophobicContact CG-CB 4.11Å; M200-A314 HydrophobicContact CE-CB 4.35Å; M200-A314 WeakPolarHBondContact CE-O 3.37Å; M200-A314 HydrophobicContact SD-CB 3.95Å; A314-L328 HydrophobicContact CB-CD1 4.49Å; A314-R329 CarbonylContact C-O 3.53Å; A314-R329 WeakPolarHBondContact CA-O 3.2Å; A314-H330 HydrophobicContact CB-CB 3.97Å; A314-S374 WeakPolarHBondContact O-CB 3.46Å; A314-S374 PolarHBondContact O-OG 2.63Å; A314-M377 HydrophobicContact CB-CE 3.59Å
315	G	90.4	Very high	70.1	Confident	1 Å²	1	46 Å²	46	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-174.3	-174.2	0	0	0	0	0	113.3	R329 D371	G315-R329 PolarHBondContact N-O 2.98Å; G315-R329 PolarHBondContact O-N 2.9Å; G315-D371 WeakPolarHBondContact CA-OD1 3.37Å
316	W	88.7	Confident	71.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	25.2	178.9	-63.3	-90.4	0	0	0	111.4	M200 F209 D243 S244 L246 I324 S325 L328	M200-W316 HydrophobicContact CB-CH2 4.06Å; M200-W316 HydrophobicContact CE-CZ3 4.04Å; F209-W316 HydrophobicContact CE1-CB 4.14Å; F209-W316 HydrophobicContact CE2-CB 4.33Å; F209-W316 HydrophobicContact CE2-CD2 4.27Å; F209-W316 AromaticContact CE2-CE3 3.71Å; F209-W316 HydrophobicContact CE2-CE3 3.71Å; F209-W316 HydrophobicContact CE2-CZ3 4.39Å; F209-W316 HydrophobicContact CZ-CB 3.93Å; F209-W316 HydrophobicContact CZ-CE3 4.03Å; D243-W316 HydrophobicContact CB-CH2 4.47Å; D243-W316 HydrophobicContact CB-CZ2 4.16Å; D243-W316 VanDerWaalsContact O-CZ2 3.32Å; D243-W316 WeakPolarHBondContact O-CZ2 3.46Å; S244-W316 PolarHBondContact O-NE1 3.06Å; L246-W316 HydrophobicContact CD1-CB 3.79Å; L246-W316 HydrophobicContact CD1-CG 3.82Å; L246-W316 HydrophobicContact CD2-CD2 3.97Å; L246-W316 HydrophobicContact CD2-CG 3.97Å; L246-W316 HydrophobicContact CD2-CZ2 4.49Å; L246-W316 HydrophobicContact CG-CB 4.4Å; L246-W316 HydrophobicContact CG-CD2 4.39Å; L246-W316 HydrophobicContact CG-CG 3.87Å; W316-I324 HydrophobicContact CB-CG2 4.47Å; W316-I324 WeakPolarHBondContact O-CA 3.29Å; W316-S325 WeakPolarHBondContact CB-O 3.39Å; W316-S325 PolarHBondContact O-N 2.83Å; W316-L328 HydrophobicContact CD2-CD1 4.12Å; W316-L328 HydrophobicContact CE3-CD1 4.28Å; W316-L328 HydrophobicContact CH2-CD1 4.15Å; W316-L328 HydrophobicContact CZ2-CB 4.16Å; W316-L328 HydrophobicContact CZ2-CD1 3.98Å; W316-L328 HydrophobicContact CZ3-CD1 4.29Å
317	G	70.6	Confident	72.2	Confident	7 Å²	7	42.1 Å²	42.1	7%	0.072	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	163.1	175.8	0	0	0	0	0	114.1	S325 Q369 D371	G317-S325 PolarHBondContact O-N 2.78Å; G317-Q369 WeakPolarHBondContact CA-O 3.41Å; G317-D371 WeakPolarHBondContact CA-OD1 3.19Å; G317-D371 PolarHBondContact N-OD1 3.1Å
318	S	60.3	Low	73.2	Confident	19 Å²	19	38 Å²	38	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	137.8	-171.8	70.8	0	0	0	0	114.2	S322 P323 C368 Q369 C400	S318-S322 CarbonylContact C-O 3.55Å; S318-S322 WeakPolarHBondContact CA-O 3.5Å; S318-S322 WeakPolarHBondContact CB-O 3.41Å; S318-P323 WeakPolarHBondContact CA-O 3.5Å; S318-P323 VanDerWaalsContact CB-C 3.46Å; S318-P323 VanDerWaalsContact CB-CA 3.48Å; S318-P323 WeakPolarHBondContact CB-O 3.22Å; S318-P323 PolarHBondContact N-O 2.87Å; S318-C368 WeakPolarHBondContact OG-CB 3.48Å; S318-C368 PolarHBondContact OG-SG 2.76Å; S318-Q369 PolarHBondContact N-O 3.47Å; S318-C400 PolarHBondContact OG-SG 2.84Å
319	S	48.5	Very low	73.7	Confident	32 Å²	32	38.9 Å²	38.9	22%	0.224	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	175.1	162.4	61.7	0	0	0	0	110.4	D321 S322	S319-D321 PolarHBondContact O-N 2.83Å; S319-S322 PolarHBondContact N-O 2.86Å; S319-S322 PolarHBondContact O-N 2.85Å; S319-S322 VanDerWaalsContact O-N 3.16Å; S319-S322 VanDerWaalsContact O-O 3.09Å
320	E	43.4	Very low	74.4	Confident	139 Å²	139	38.6 Å²	38.6	65%	0.65	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-32.6	-177.3	-63.1	-169.6	161.3	0	0	114.5	I187	I187-E320 HydrophobicContact CB-CG 4.49Å
321	D	46.3	Very low	74.5	Confident	157 Å²	157	37.9 Å²	37.9	84%	0.84	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-13	-172.4	-60.6	-52	0	0	0	115	S319	S319-D321 PolarHBondContact O-N 2.83Å
322	S	49.3	Very low	74.3	Confident	48 Å²	48	38.2 Å²	38.2	34%	0.336	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.7	-169.6	-179.7	0	0	0	0	112.7	S318 S319 I324	S318-S322 CarbonylContact C-O 3.55Å; S318-S322 WeakPolarHBondContact CA-O 3.5Å; S318-S322 WeakPolarHBondContact CB-O 3.41Å; S319-S322 PolarHBondContact N-O 2.86Å; S319-S322 PolarHBondContact O-N 2.85Å; S319-S322 VanDerWaalsContact O-N 3.16Å; S319-S322 VanDerWaalsContact O-O 3.09Å; S322-I324 VanDerWaalsContact CB-O 3.31Å; S322-I324 WeakPolarHBondContact CB-O 3.45Å; S322-I324 PolarHBondContact O-N 3.09Å; S322-I324 PolarHBondContact OG-N 3.01Å; S322-I324 PolarHBondContact OG-O 3.24Å
323	P	62.5	Low	73.7	Confident	91 Å²	91	37 Å²	37	59%	0.591	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	-14.4	174.6	26.7	-34.8	0	0	0	113.7	S318	S318-P323 WeakPolarHBondContact CA-O 3.5Å; S318-P323 VanDerWaalsContact CB-C 3.46Å; S318-P323 VanDerWaalsContact CB-CA 3.48Å; S318-P323 WeakPolarHBondContact CB-O 3.22Å; S318-P323 PolarHBondContact N-O 2.87Å
324	I	70.3	Confident	73	Confident	62 Å²	62	38.4 Å²	38.4	32%	0.318	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.4	179.5	-62.1	170.9	0	0	0	107.8	F209 L246 W316 S322	F209-I324 HydrophobicContact CD1-CD1 4.11Å; F209-I324 HydrophobicContact CD1-CG1 4.36Å; F209-I324 HydrophobicContact CD1-CG2 4.07Å; L246-I324 HydrophobicContact CD1-CG2 3.42Å; L246-I324 VanDerWaalsContact CD1-CG2 3.42Å; W316-I324 HydrophobicContact CB-CG2 4.47Å; W316-I324 WeakPolarHBondContact O-CA 3.29Å; S322-I324 VanDerWaalsContact CB-O 3.31Å; S322-I324 WeakPolarHBondContact CB-O 3.45Å; S322-I324 PolarHBondContact O-N 3.09Å; S322-I324 PolarHBondContact OG-N 3.01Å; S322-I324 PolarHBondContact OG-O 3.24Å
325	S	79.9	Confident	72.4	Confident	10 Å²	10	40.4 Å²	40.4	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.6	168.8	-165.3	0	0	0	0	109.5	W316 G317 E327	W316-S325 WeakPolarHBondContact CB-O 3.39Å; W316-S325 PolarHBondContact O-N 2.83Å; G317-S325 PolarHBondContact O-N 2.78Å; S325-E327 WeakPolarHBondContact CB-O 3.25Å; S325-E327 PolarHBondContact O-N 2.83Å; S325-E327 PolarHBondContact OG-O 2.97Å
326	N	85.2	Confident	71.5	Confident	52 Å²	52	41.8 Å²	41.8	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-35.4	172.6	-171.8	50.9	0	0	0	111.1	Y245 L246 D247	Y245-N326 CarbonylContact C-O 3.58Å; Y245-N326 VanDerWaalsContact CA-O 3.23Å; Y245-N326 WeakPolarHBondContact CA-O 3.49Å; L246-N326 PolarHBondContact N-O 2.88Å; L246-N326 PolarHBondContact N-OD1 2.73Å; D247-N326 VanDerWaalsContact CB-OD1 3.28Å; D247-N326 WeakPolarHBondContact CB-OD1 3.42Å; D247-N326 VanDerWaalsContact CG-CG 3.42Å; D247-N326 PolarHBondContact N-OD1 2.7Å; D247-N326 PolarHBondContact OD1-ND2 2.88Å; D247-N326 PolarHBondContact OD1-OD1 2.83Å; D247-N326 VanDerWaalsContact OD1-OD1 3.13Å; D247-N326 PolarHBondContact OD2-ND2 3.25Å
327	E	87.1	Confident	71	Confident	62 Å²	62	46.4 Å²	46.4	29%	0.29	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.6	-175.3	-62.7	179.5	176.1	0	0	110.9	I191 Y245 S325 R329	I191-E327 WeakPolarHBondContact CD1-OE2 3.47Å; I191-E327 WeakPolarHBondContact CG1-OE2 3.44Å; Y245-E327 HydrophobicContact CD1-CG 3.59Å; Y245-E327 HydrophobicContact CE1-CG 3.51Å; S325-E327 WeakPolarHBondContact CB-O 3.25Å; S325-E327 PolarHBondContact O-N 2.83Å; S325-E327 PolarHBondContact OG-O 2.97Å; E327-R329 PolarHBondContact O-N 2.78Å
328	L	88.9	Confident	71.2	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	123.3	173.1	176.9	67.4	0	0	0	109.5	S192 W197 M200 S244 A314 W316	S192-L328 WeakPolarHBondContact CA-O 3.31Å; S192-L328 WeakPolarHBondContact CB-O 3.42Å; S192-L328 PolarHBondContact N-O 2.99Å; S192-L328 PolarHBondContact OG-O 3.3Å; S192-L328 VanDerWaalsContact OG-O 3.13Å; W197-L328 HydrophobicContact CB-CD2 4.5Å; M200-L328 HydrophobicContact CB-CD1 4.48Å; M200-L328 HydrophobicContact CB-CD2 4.18Å; M200-L328 HydrophobicContact CE-CD1 4.03Å; M200-L328 HydrophobicContact CG-CD1 4.09Å; M200-L328 HydrophobicContact CG-CD2 3.86Å; S244-L328 PolarHBondContact O-N 2.8Å; A314-L328 HydrophobicContact CB-CD1 4.49Å; W316-L328 HydrophobicContact CD2-CD1 4.12Å; W316-L328 HydrophobicContact CE3-CD1 4.28Å; W316-L328 HydrophobicContact CH2-CD1 4.15Å; W316-L328 HydrophobicContact CZ2-CB 4.16Å; W316-L328 HydrophobicContact CZ2-CD1 3.98Å; W316-L328 HydrophobicContact CZ3-CD1 4.29Å
329	R	86.6	Confident	72.2	Confident	44 Å²	44	52.3 Å²	52.3	17%	0.166	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	159.3	177.6	-74	178	144.1	-150.1	-6.7	111.6	E190 A314 G315 E327	E190-R329 CarbonylContact O-C 3.54Å; E190-R329 WeakPolarHBondContact O-CA 3.47Å; E190-R329 WeakPolarHBondContact O-CB 3.47Å; A314-R329 CarbonylContact C-O 3.53Å; A314-R329 WeakPolarHBondContact CA-O 3.2Å; G315-R329 PolarHBondContact N-O 2.98Å; G315-R329 PolarHBondContact O-N 2.9Å; E327-R329 PolarHBondContact O-N 2.78Å
330	H	85.6	Confident	73.5	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150	173.1	66.1	-89	0	0	0	111.8	G189 E190 S192 Q196 W197 Y312 V313 A314	G189-H330 CarbonylContact C-O 3.44Å; G189-H330 VanDerWaalsContact CA-O 3.23Å; G189-H330 WeakPolarHBondContact CA-O 3.2Å; E190-H330 PolarHBondContact N-O 2.81Å; E190-H330 PolarHBondContact O-N 3.22Å; E190-H330 IonicContact OE2-NE2 3.63Å; S192-H330 PolarHBondContact OG-ND1 2.94Å; Q196-H330 PolarHBondContact NE2-CE1 2.99Å; W197-H330 HydrophobicContact CZ2-CB 4.31Å; W197-H330 VanDerWaalsContact NE1-CB 3.34Å; W197-H330 AromaticContact NE1-CG 3.37Å; W197-H330 AromaticContact NE1-ND1 3.44Å; W197-H330 PolarHBondContact NE1-ND1 2.73Å; Y312-H330 HydrophobicContact CD1-CB 4.48Å; Y312-H330 AromaticContact CD1-CD2 3.69Å; Y312-H330 AromaticContact CE1-CD2 3.69Å; V313-H330 CarbonylContact O-C 3.5Å; V313-H330 WeakPolarHBondContact O-CA 3.2Å; V313-H330 WeakPolarHBondContact O-CB 3.4Å; A314-H330 HydrophobicContact CB-CB 3.97Å
331	L	77.4	Confident	74.9	Confident	16 Å²	16	46.2 Å²	46.2	8%	0.084	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.4	-178.6	173.9	64	0	0	0	109.3	Y312 V313 K365 D366	Y312-L331 VanDerWaalsContact CA-O 3.26Å; Y312-L331 WeakPolarHBondContact CA-O 3.45Å; V313-L331 HydrophobicContact CG2-CB 3.89Å; V313-L331 PolarHBondContact N-O 3.16Å; V313-L331 PolarHBondContact O-N 2.93Å; L331-K365 HydrophobicContact CD1-CB 4.34Å; L331-K365 HydrophobicContact CD1-CD 4.39Å; L331-D366 WeakPolarHBondContact CD2-O 3.45Å
332	R	77.4	Confident	76.5	Confident	12 Å²	12	40.6 Å²	40.6	5%	0.045	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.9	165.8	-179.8	142	167.2	-151.3	-2.8	108.6	D103 Y105 T107 C311 Y312 Y360	D103-R332 IonicContact OD2-CZ 3.7Å; D103-R332 VanDerWaalsContact OD2-CZ 3.3Å; D103-R332 IonicContact OD2-NH1 2.83Å; D103-R332 PolarHBondContact OD2-NH1 2.97Å; D103-R332 VanDerWaalsContact OD2-NH1 3.11Å; D103-R332 IonicContact OD2-NH2 3.85Å; D103-R332 PolarHBondContact OD2-NH2 3.17Å; Y105-R332 HydrophobicContact CD1-CB 3.93Å; Y105-R332 HydrophobicContact CD1-CG 3.94Å; Y105-R332 VanDerWaalsContact CD2-CD 3.43Å; Y105-R332 HydrophobicContact CD2-CG 4.08Å; Y105-R332 HydrophobicContact CE1-CB 3.58Å; Y105-R332 HydrophobicContact CE1-CG 4.05Å; Y105-R332 HydrophobicContact CE2-CB 4.23Å; Y105-R332 HydrophobicContact CE2-CG 4.12Å; Y105-R332 HydrophobicContact CG-CB 4.4Å; Y105-R332 HydrophobicContact CG-CG 3.94Å; T107-R332 VanDerWaalsContact CG2-NH2 3.31Å; T107-R332 PolarHBondContact OG1-NH2 3.37Å; C311-R332 CarbonylContact O-C 3.52Å; C311-R332 VanDerWaalsContact O-CA 3.32Å; C311-R332 WeakPolarHBondContact O-CA 3.38Å; Y312-R332 HydrophobicContact CD1-CB 4.03Å; Y312-R332 VanDerWaalsContact CD1-N 3.35Å; Y312-R332 HydrophobicContact CE1-CB 3.57Å; Y312-R332 HydrophobicContact CE2-CB 4.2Å; Y312-R332 HydrophobicContact CE2-CG 4.3Å; R332-Y360 PolarHBondContact O-OH 3.07Å; R332-Y360 VanDerWaalsContact O-OH 3.09Å
333	I	72.7	Confident	77.8	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.231	C	C	.	.			trans	-141.3	131.7	-175.1	-163.4	172.9	0	0	0	111.1	C311 V313 A358 L376 L404	C311-I333 HydrophobicContact CB-CG2 4.44Å; C311-I333 VanDerWaalsContact CB-O 3.3Å; C311-I333 WeakPolarHBondContact CB-O 3.28Å; C311-I333 PolarHBondContact O-N 2.98Å; V313-I333 HydrophobicContact CG1-CG2 4.29Å; I333-A358 HydrophobicContact CD1-CB 3.68Å; I333-A358 HydrophobicContact CG1-CB 3.94Å; I333-A358 HydrophobicContact CG2-CB 4.24Å; I333-L376 HydrophobicContact CG2-CD1 3.67Å; I333-L404 HydrophobicContact CD1-CD1 3.27Å; I333-L404 HydrophobicContact CD1-CG 4.02Å
334	P	72.4	Confident	78.5	Confident	34 Å²	34	43.1 Å²	43.1	22%	0.221	23%	0.231	C	C	.	.			trans	-78.1	145.5	176.3	31.8	-34.8	0	0	0	110.7	A358 G359 Y360	P334-A358 CarbonylContact O-C 3.56Å; P334-A358 WeakPolarHBondContact O-CA 3.36Å; P334-A358 WeakPolarHBondContact O-CB 3.41Å; P334-G359 WeakPolarHBondContact CG-O 3.17Å; P334-G359 PolarHBondContact O-N 2.84Å; P334-Y360 HydrophobicContact CG-CD1 4.03Å; P334-Y360 HydrophobicContact CG-CE1 4Å; P334-Y360 HydrophobicContact CG-CG 4.34Å
335	L	76.2	Confident	78.6	Confident	42 Å²	42	47.2 Å²	47.2	22%	0.22	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.6	168.9	-57.6	-177.5	0	0	0	109.8	L308 C311 I356 A358 L376 I391	L308-L335 HydrophobicContact CB-CD1 4.04Å; L308-L335 HydrophobicContact CD1-CD1 3.88Å; C311-L335 HydrophobicContact CB-CD2 4.42Å; L335-I356 HydrophobicContact CD2-CG2 4.05Å; L335-A358 HydrophobicContact CD2-CB 4.21Å; L335-L376 HydrophobicContact CD2-CD2 3.86Å; L335-I391 HydrophobicContact CD1-CD1 4.03Å; L335-I391 HydrophobicContact CD2-CD1 4.05Å
336	L	72.4	Confident	78.2	Confident	30 Å²	30	47.2 Å²	47.2	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.9	177.4	-64.2	-179.6	0	0	0	110.3	L338 C341 C357 G359 I361 K403	L336-L338 PolarHBondContact O-N 2.91Å; L336-C341 VanDerWaalsContact CB-SG 3.58Å; L336-C357 HydrophobicContact CB-CB 4.08Å; L336-C357 PolarHBondContact N-O 3.12Å; L336-G359 VanDerWaalsContact CD1-O 3.31Å; L336-G359 WeakPolarHBondContact CD1-O 2.96Å; L336-G359 WeakPolarHBondContact CG-O 3.22Å; L336-I361 HydrophobicContact CD2-CD1 4.27Å; L336-I361 HydrophobicContact CD2-CG1 3.96Å; L336-K403 HydrophobicContact CD1-CD 4.21Å; L336-K403 HydrophobicContact CD1-CG 4.01Å
337	N	77.3	Confident	77.6	Confident	97 Å²	97	45.8 Å²	45.8	52%	0.519	24%	0.241	S	C	.	.			trans	-63.1	137	173.6	-170.5	-58.9	0	0	0	110.4	T339 V340 C341	N337-T339 PolarHBondContact O-N 3.09Å; N337-T339 VanDerWaalsContact O-N 3.1Å; N337-T339 VanDerWaalsContact OD1-CB 3.31Å; N337-T339 WeakPolarHBondContact OD1-CB 2.95Å; N337-T339 PolarHBondContact OD1-N 2.69Å; N337-T339 PolarHBondContact OD1-OG1 2.93Å; N337-V340 HydrophobicContact CB-CG2 4.31Å; N337-V340 WeakPolarHBondContact O-CB 3.33Å; N337-V340 PolarHBondContact O-N 2.03Å; N337-C341 PolarHBondContact O-N 3.3Å
338	L	75.7	Confident	77.3	Confident	46 Å²	46	48.4 Å²	48.4	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-51.7	-35.8	177.7	-173.3	63.4	0	0	0	112.6	L336 V340 C341 N342 L351 E353	L336-L338 PolarHBondContact O-N 2.91Å; L338-V340 PolarHBondContact O-N 2.75Å; L338-C341 PolarHBondContact O-N 3.1Å; L338-N342 WeakPolarHBondContact O-CB 3.48Å; L338-N342 PolarHBondContact O-N 2.83Å; L338-L351 HydrophobicContact CD1-CB 3.51Å; L338-L351 HydrophobicContact CD1-CD1 4.03Å; L338-L351 HydrophobicContact CD1-CG 4.44Å; L338-E353 HydrophobicContact CD2-CG 4.43Å
339	T	80.3	Confident	77	Confident	104 Å²	104	50.7 Å²	50.7	64%	0.638	28%	0.278	S	S	*	.	H	α-helix	trans	-60.4	-43.3	176.7	-47.6	0	0	0	0	111.9	N337 C341 N342 Q343	N337-T339 PolarHBondContact O-N 3.09Å; N337-T339 VanDerWaalsContact O-N 3.1Å; N337-T339 VanDerWaalsContact OD1-CB 3.31Å; N337-T339 WeakPolarHBondContact OD1-CB 2.95Å; N337-T339 PolarHBondContact OD1-N 2.69Å; N337-T339 PolarHBondContact OD1-OG1 2.93Å; T339-C341 VanDerWaalsContact C-N 3.3Å; T339-C341 PolarHBondContact O-N 3.32Å; T339-N342 PolarHBondContact O-N 3.13Å; T339-Q343 PolarHBondContact O-N 2.87Å
340	V	75.8	Confident	76.6	Confident	44 Å²	44	53.9 Å²	53.9	27%	0.267	29%	0.293	S	S	.	.	H	α-helix	trans	-68.1	-32.6	177.8	175.3	0	0	0	0	111	N337 L338 Q343 I361 K403	N337-V340 HydrophobicContact CB-CG2 4.31Å; N337-V340 WeakPolarHBondContact O-CB 3.33Å; N337-V340 PolarHBondContact O-N 2.03Å; L338-V340 PolarHBondContact O-N 2.75Å; V340-Q343 PolarHBondContact O-OE1 2.79Å; V340-I361 HydrophobicContact CG1-CD1 4.31Å; V340-K403 PolarHBondContact O-NZ 2.86Å; V340-K403 VanDerWaalsContact O-NZ 3.13Å
341	C	73.2	Confident	76.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-80.8	-30.1	178.2	-66	0	0	0	0	112.9	L336 N337 L338 T339 Q343 A346 Y347 L351 C357	L336-C341 VanDerWaalsContact CB-SG 3.58Å; N337-C341 PolarHBondContact O-N 3.3Å; L338-C341 PolarHBondContact O-N 3.1Å; T339-C341 VanDerWaalsContact C-N 3.3Å; T339-C341 PolarHBondContact O-N 3.32Å; C341-Q343 VanDerWaalsContact C-N 3.3Å; C341-Q343 PolarHBondContact O-N 3.04Å; C341-A346 WeakPolarHBondContact O-CB 3.22Å; C341-Y347 HydrophobicContact CB-CD2 4.13Å; C341-Y347 VanDerWaalsContact O-CB 3.28Å; C341-Y347 WeakPolarHBondContact O-CB 3.39Å; C341-Y347 WeakPolarHBondContact O-CD2 3.4Å; C341-Y347 PolarHBondContact O-N 3.39Å; C341-L351 HydrophobicContact CB-CD1 3.6Å; C341-C357 HydrophobicContact CB-CB 3.6Å; C341-C357 WeakPolarHBondContact CB-SG 3.2Å; C341-C357 WeakPolarHBondContact SG-CB 3.41Å; C341-C357 CovalentContact SG-SG 2.01Å; C341-C357 PolarHBondContact SG-SG 2.81Å
342	N	79.9	Confident	76.4	Confident	39 Å²	39	55 Å²	55	21%	0.209	30%	0.301	C	S	.	.	S	Bend	trans	-82.5	-0.2	175.4	-89	-27.2	0	0	0	114.7	L338 T339 G349 K350 L351	L338-N342 WeakPolarHBondContact O-CB 3.48Å; L338-N342 PolarHBondContact O-N 2.83Å; T339-N342 PolarHBondContact O-N 3.13Å; N342-G349 PolarHBondContact O-N 2.93Å; N342-G349 VanDerWaalsContact OD1-C 3.23Å; N342-G349 WeakPolarHBondContact OD1-CA 3.24Å; N342-G349 PolarHBondContact OD1-N 2.69Å; N342-K350 PolarHBondContact OD1-N 3.11Å; N342-L351 PolarHBondContact ND2-O 3.33Å; N342-L351 WeakPolarHBondContact OD1-CB 3.26Å; N342-L351 PolarHBondContact OD1-N 2.9Å
343	Q	77.5	Confident	76.6	Confident	93 Å²	93	62.2 Å²	62.2	44%	0.435	34%	0.335	S	S	.	.	S	Bend	trans	-53.3	154.1	169.7	-76	176.4	-23.3	0	0	112.4	T339 V340 C341 E345 A346 Y347 Q348	T339-Q343 PolarHBondContact O-N 2.87Å; V340-Q343 PolarHBondContact O-OE1 2.79Å; C341-Q343 VanDerWaalsContact C-N 3.3Å; C341-Q343 PolarHBondContact O-N 3.04Å; Q343-E345 PolarHBondContact O-N 3.33Å; Q343-A346 PolarHBondContact O-N 2.82Å; Q343-Y347 PolarHBondContact O-N 2.82Å; Q343-Q348 PolarHBondContact O-N 3.45Å; Q343-Q348 VanDerWaalsContact O-N 3.1Å
344	T	77.5	Confident	76.9	Confident	99 Å²	99	62.5 Å²	62.5	61%	0.607	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.1	-176.2	-52.7	0	0	0	0	112.8	A346 Q348	T344-A346 PolarHBondContact O-N 3.34Å; T344-Q348 WeakPolarHBondContact O-CG 3.33Å; T344-Q348 PolarHBondContact O-NE2 2.84Å; T344-Q348 VanDerWaalsContact O-NE2 3.13Å
345	E	72.3	Confident	77.3	Confident	148 Å²	148	61.2 Å²	61.2	69%	0.692	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.7	179.9	-60.4	71	-152.8	0	0	112.1	Q343	Q343-E345 PolarHBondContact O-N 3.33Å
346	A	71	Confident	77.5	Confident	10 Å²	10	59.9 Å²	59.9	8%	0.083	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-104.2	-176	0	0	0	0	0	111.9	C341 Q343 T344 K403	C341-A346 WeakPolarHBondContact O-CB 3.22Å; Q343-A346 PolarHBondContact O-N 2.82Å; T344-A346 PolarHBondContact O-N 3.34Å; A346-K403 HydrophobicContact CB-CD 3.97Å
347	Y	72.3	Confident	77.7	Confident	21 Å²	21	58.5 Å²	58.5	8%	0.082	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4	-174.3	-70.3	-75.9	0	0	0	114.7	C341 Q343 G349 K350 L351 F396 G397 K398 K403 T405	C341-Y347 HydrophobicContact CB-CD2 4.13Å; C341-Y347 VanDerWaalsContact O-CB 3.28Å; C341-Y347 WeakPolarHBondContact O-CB 3.39Å; C341-Y347 WeakPolarHBondContact O-CD2 3.4Å; C341-Y347 PolarHBondContact O-N 3.39Å; Q343-Y347 PolarHBondContact O-N 2.82Å; Y347-G349 PolarHBondContact O-N 2.85Å; Y347-K350 VanDerWaalsContact O-CB 3.29Å; Y347-K350 WeakPolarHBondContact O-CB 3.2Å; Y347-K350 WeakPolarHBondContact O-CD 3.25Å; Y347-K350 VanDerWaalsContact O-CG 3.22Å; Y347-K350 WeakPolarHBondContact O-CG 3.39Å; Y347-K350 PolarHBondContact O-N 2.78Å; Y347-L351 HydrophobicContact CD1-CD2 3.99Å; Y347-L351 HydrophobicContact CD1-CG 4.49Å; Y347-L351 HydrophobicContact CD2-CD1 3.59Å; Y347-L351 HydrophobicContact CD2-CD2 4.15Å; Y347-L351 HydrophobicContact CD2-CG 3.97Å; Y347-L351 HydrophobicContact CE1-CD2 4.41Å; Y347-L351 HydrophobicContact CE2-CD1 4.1Å; Y347-L351 HydrophobicContact CG-CD1 4.01Å; Y347-L351 HydrophobicContact CG-CD2 3.83Å; Y347-L351 HydrophobicContact CG-CG 3.84Å; Y347-F396 HydrophobicContact CD1-CE2 4.33Å; Y347-F396 HydrophobicContact CE1-CD2 4.27Å; Y347-F396 AromaticContact CE1-CE2 3.78Å; Y347-F396 HydrophobicContact CE1-CE2 3.78Å; Y347-G397 WeakPolarHBondContact OH-CA 3.35Å; Y347-K398 HydrophobicContact CE1-CB 4.32Å; Y347-K398 PolarHBondContact OH-N 2.8Å; Y347-K403 HydrophobicContact CE2-CB 3.88Å; Y347-K403 PolarHBondContact OH-O 3.12Å; Y347-T405 PolarHBondContact OH-OG1 2.88Å
348	Q	81.2	Confident	77.6	Confident	118 Å²	118	53.9 Å²	53.9	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	46.9	172.3	-59.7	172.6	-9.1	0	0	113.2	Q343 T344 K350	Q343-Q348 PolarHBondContact O-N 3.45Å; Q343-Q348 VanDerWaalsContact O-N 3.1Å; T344-Q348 WeakPolarHBondContact O-CG 3.33Å; T344-Q348 PolarHBondContact O-NE2 2.84Å; T344-Q348 VanDerWaalsContact O-NE2 3.13Å; Q348-K350 VanDerWaalsContact C-N 3.26Å; Q348-K350 PolarHBondContact O-N 2.93Å
349	G	82.2	Confident	77.4	Confident	53 Å²	53	51.7 Å²	51.7	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	9.7	178.8	0	0	0	0	0	115.9	N342 Y347	N342-G349 PolarHBondContact O-N 2.93Å; N342-G349 VanDerWaalsContact OD1-C 3.23Å; N342-G349 WeakPolarHBondContact OD1-CA 3.24Å; N342-G349 PolarHBondContact OD1-N 2.69Å; Y347-G349 PolarHBondContact O-N 2.85Å
350	K	78.2	Confident	76.6	Confident	110 Å²	110	48.8 Å²	48.8	48%	0.478	26%	0.256	S	S	.	.			trans	-78.3	-18.7	-177.9	-69.2	175.5	-175.3	173.6	0	114.2	L272 N342 Y347 Q348	L272-K350 HydrophobicContact CD1-CB 4.31Å; N342-K350 PolarHBondContact OD1-N 3.11Å; Y347-K350 VanDerWaalsContact O-CB 3.29Å; Y347-K350 WeakPolarHBondContact O-CB 3.2Å; Y347-K350 WeakPolarHBondContact O-CD 3.25Å; Y347-K350 VanDerWaalsContact O-CG 3.22Å; Y347-K350 WeakPolarHBondContact O-CG 3.39Å; Y347-K350 PolarHBondContact O-N 2.78Å; Q348-K350 VanDerWaalsContact C-N 3.26Å; Q348-K350 PolarHBondContact O-N 2.93Å
351	L	77.4	Confident	75.7	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	27%	0.272	C	S	.	.			trans	-82.1	134.1	-179.2	-53.3	-172.4	0	0	0	110.5	L338 C341 N342 Y347 M355 F396 T405	L338-L351 HydrophobicContact CD1-CB 3.51Å; L338-L351 HydrophobicContact CD1-CD1 4.03Å; L338-L351 HydrophobicContact CD1-CG 4.44Å; C341-L351 HydrophobicContact CB-CD1 3.6Å; N342-L351 PolarHBondContact ND2-O 3.33Å; N342-L351 WeakPolarHBondContact OD1-CB 3.26Å; N342-L351 PolarHBondContact OD1-N 2.9Å; Y347-L351 HydrophobicContact CD1-CD2 3.99Å; Y347-L351 HydrophobicContact CD1-CG 4.49Å; Y347-L351 HydrophobicContact CD2-CD1 3.59Å; Y347-L351 HydrophobicContact CD2-CD2 4.15Å; Y347-L351 HydrophobicContact CD2-CG 3.97Å; Y347-L351 HydrophobicContact CE1-CD2 4.41Å; Y347-L351 HydrophobicContact CE2-CD1 4.1Å; Y347-L351 HydrophobicContact CG-CD1 4.01Å; Y347-L351 HydrophobicContact CG-CD2 3.83Å; Y347-L351 HydrophobicContact CG-CG 3.84Å; L351-M355 HydrophobicContact CB-SD 4.41Å; L351-M355 HydrophobicContact CD2-SD 4.14Å; L351-F396 HydrophobicContact CD2-CE2 3.97Å; L351-F396 HydrophobicContact CD2-CZ 3.66Å; L351-T405 HydrophobicContact CD1-CG2 4.48Å; L351-T405 HydrophobicContact CD2-CG2 3.75Å; L351-T405 WeakPolarHBondContact CD2-OG1 3.19Å
352	T	82.2	Confident	74.4	Confident	44 Å²	44	61.7 Å²	61.7	27%	0.27	32%	0.318	S	S	.	.			trans	-91.2	166.6	177.2	55.8	0	0	0	0	111	T354 M355	T352-T354 PolarHBondContact O-N 2.97Å; T352-T354 PolarHBondContact OG1-OG1 2.85Å; T352-M355 PolarHBondContact O-N 3.47Å; T352-M355 VanDerWaalsContact O-N 3.16Å; T352-M355 WeakPolarHBondContact OG1-CE 3.36Å
353	E	81	Confident	72.9	Confident	163 Å²	163	61 Å²	61	76%	0.762	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16	175	-63.9	177.7	179	0	0	113.2	L338 M355	L338-E353 HydrophobicContact CD2-CG 4.43Å; E353-M355 PolarHBondContact O-N 2.9Å
354	T	78.6	Confident	71.3	Confident	10 Å²	10	57.5 Å²	57.5	6%	0.061	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	2.1	176.7	73.3	0	0	0	0	112.6	D274 Y275 T352 N408 H409	D274-T354 WeakPolarHBondContact OD1-CB 3.14Å; D274-T354 PolarHBondContact OD1-OG1 2.82Å; Y275-T354 HydrophobicContact CE1-CG2 3.97Å; T352-T354 PolarHBondContact O-N 2.97Å; T352-T354 PolarHBondContact OG1-OG1 2.85Å; T354-N408 VanDerWaalsContact O-CB 3.32Å; T354-N408 WeakPolarHBondContact O-CB 3.44Å; T354-N408 PolarHBondContact O-N 3.05Å; T354-H409 VanDerWaalsContact CA-CD2 3.48Å; T354-H409 WeakPolarHBondContact CA-CD2 3.21Å; T354-H409 VanDerWaalsContact CB-CD2 3.42Å; T354-H409 WeakPolarHBondContact CB-CD2 3.37Å; T354-H409 WeakPolarHBondContact CG2-CD2 3.1Å
355	M	81.5	Confident	69.8	Low	7 Å²	7	56.8 Å²	56.8	3%	0.034	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.8	-174.8	-60.7	172	-176.4	0	0	112.1	L272 D274 L351 T352 E353 F396 T405 V406	L272-M355 WeakPolarHBondContact O-CE 3.48Å; D274-M355 HydrophobicContact CB-CE 4.2Å; L351-M355 HydrophobicContact CB-SD 4.41Å; L351-M355 HydrophobicContact CD2-SD 4.14Å; T352-M355 PolarHBondContact O-N 3.47Å; T352-M355 VanDerWaalsContact O-N 3.16Å; T352-M355 WeakPolarHBondContact OG1-CE 3.36Å; E353-M355 PolarHBondContact O-N 2.9Å; M355-F396 HydrophobicContact CE-CE1 4.29Å; M355-F396 HydrophobicContact SD-CE1 4.2Å; M355-F396 HydrophobicContact SD-CZ 4.19Å; M355-T405 HydrophobicContact CB-CG2 3.65Å; M355-T405 HydrophobicContact CG-CG2 3.88Å; M355-T405 HydrophobicContact SD-CG2 3.59Å; M355-T405 VanDerWaalsContact SD-CG2 3.59Å; M355-V406 CarbonylContact C-O 3.52Å; M355-V406 VanDerWaalsContact CA-O 3.22Å; M355-V406 WeakPolarHBondContact CA-O 3.31Å
356	I	81	Confident	68.6	Low	14 Å²	14	49.8 Å²	49.8	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.2	168.5	-72.3	153.8	0	0	0	108.5	L335 L376 I391 T405 V406 N408	L335-I356 HydrophobicContact CD2-CG2 4.05Å; I356-L376 HydrophobicContact CG2-CD2 4.01Å; I356-I391 HydrophobicContact CD1-CB 4.46Å; I356-I391 HydrophobicContact CD1-CD1 4.1Å; I356-I391 HydrophobicContact CD1-CG1 4.28Å; I356-I391 WeakPolarHBondContact CD1-O 3.4Å; I356-T405 CarbonylContact O-C 3.09Å; I356-T405 WeakPolarHBondContact O-CA 3.49Å; I356-V406 HydrophobicContact CB-CB 4.16Å; I356-V406 PolarHBondContact N-O 3.4Å; I356-V406 PolarHBondContact O-N 3.3Å; I356-N408 HydrophobicContact CD1-CB 3.78Å; I356-N408 WeakPolarHBondContact CD1-OD1 3.41Å; I356-N408 HydrophobicContact CG1-CB 3.72Å; I356-N408 VanDerWaalsContact CG1-CG 3.42Å
357	C	75.7	Confident	67.6	Low	1 Å²	1	49.7 Å²	49.7	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.1	169.6	-168.4	0	0	0	0	110.3	L336 C341 L404	L336-C357 HydrophobicContact CB-CB 4.08Å; L336-C357 PolarHBondContact N-O 3.12Å; C341-C357 HydrophobicContact CB-CB 3.6Å; C341-C357 WeakPolarHBondContact CB-SG 3.2Å; C341-C357 WeakPolarHBondContact SG-CB 3.41Å; C341-C357 CovalentContact SG-SG 2.01Å; C341-C357 PolarHBondContact SG-SG 2.81Å; C357-L404 VanDerWaalsContact CA-O 3.24Å; C357-L404 WeakPolarHBondContact CA-O 3.09Å; C357-L404 PolarHBondContact SG-O 2.79Å; C357-L404 VanDerWaalsContact SG-O 3.39Å
358	A	76.3	Confident	66.5	Low	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.7	176.1	0	0	0	0	0	110.1	I333 P334 L335 L404	I333-A358 HydrophobicContact CD1-CB 3.68Å; I333-A358 HydrophobicContact CG1-CB 3.94Å; I333-A358 HydrophobicContact CG2-CB 4.24Å; P334-A358 CarbonylContact O-C 3.56Å; P334-A358 WeakPolarHBondContact O-CA 3.36Å; P334-A358 WeakPolarHBondContact O-CB 3.41Å; L335-A358 HydrophobicContact CD2-CB 4.21Å; A358-L404 PolarHBondContact N-O 3.37Å; A358-L404 VanDerWaalsContact N-O 3.08Å; A358-L404 WeakPolarHBondContact O-CA 3.19Å; A358-L404 WeakPolarHBondContact O-CB 3.33Å; A358-L404 PolarHBondContact O-N 3.47Å
359	G	71.3	Confident	65	Low	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	139.8	170.4	177.5	0	0	0	0	0	113.9	P334 L336	P334-G359 WeakPolarHBondContact CG-O 3.17Å; P334-G359 PolarHBondContact O-N 2.84Å; L336-G359 VanDerWaalsContact CD1-O 3.31Å; L336-G359 WeakPolarHBondContact CD1-O 2.96Å; L336-G359 WeakPolarHBondContact CG-O 3.22Å
360	Y	63.8	Low	63.7	Low	43 Å²	43	49.4 Å²	49.4	17%	0.169	25%	0.253	C	S	.	.			trans	-89.1	127.4	-176.6	-63.8	-88.9	0	0	0	110.8	R332 P334 M362 G363 K365	R332-Y360 PolarHBondContact O-OH 3.07Å; R332-Y360 VanDerWaalsContact O-OH 3.09Å; P334-Y360 HydrophobicContact CG-CD1 4.03Å; P334-Y360 HydrophobicContact CG-CE1 4Å; P334-Y360 HydrophobicContact CG-CG 4.34Å; Y360-M362 VanDerWaalsContact C-N 3.26Å; Y360-M362 PolarHBondContact O-N 3.28Å; Y360-G363 WeakPolarHBondContact O-CA 3.29Å; Y360-G363 PolarHBondContact O-N 2.84Å; Y360-K365 HydrophobicContact CD2-CB 3.68Å; Y360-K365 WeakPolarHBondContact CD2-O 3.48Å; Y360-K365 HydrophobicContact CE2-CB 3.77Å; Y360-K365 HydrophobicContact CE2-CD 4.25Å
361	I	55.1	Low	63.3	Low	118 Å²	118	45 Å²	45	61%	0.605	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-37.2	-177.9	-60.9	175.7	0	0	0	111.7	L336 V340 G363	L336-I361 HydrophobicContact CD2-CD1 4.27Å; L336-I361 HydrophobicContact CD2-CG1 3.96Å; V340-I361 HydrophobicContact CG1-CD1 4.31Å; I361-G363 PolarHBondContact O-N 2.88Å
362	M	47.7	Very low	63.6	Low	196 Å²	196	45.7 Å²	45.7	97%	0.966	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.7	176.5	-64	-169.8	174.5	0	0	113.3	Y360	Y360-M362 VanDerWaalsContact C-N 3.26Å; Y360-M362 PolarHBondContact O-N 3.28Å
363	G	48.3	Very low	63.9	Low	25 Å²	25	43.6 Å²	43.6	26%	0.258	23%	0.227	S	C	.	.			trans	66.3	-166	-170.3	0	0	0	0	0	113	Y360 I361 A401	Y360-G363 WeakPolarHBondContact O-CA 3.29Å; Y360-G363 PolarHBondContact O-N 2.84Å; I361-G363 PolarHBondContact O-N 2.88Å; G363-A401 WeakPolarHBondContact CA-O 3.48Å
364	G	43.2	Very low	64.4	Low	19 Å²	19	35.9 Å²	35.9	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	91.9	-11.7	175	0	0	0	0	0	115.9	A401	G364-A401 PolarHBondContact N-O 2.78Å
365	K	45.8	Very low	65.1	Low	84 Å²	84	35.4 Å²	35.4	37%	0.365	19%	0.188	S	C	.	.			trans	-144.5	125.2	167.7	-65.1	-176.5	-179.9	-175.6	0	108	L331 Y360	L331-K365 HydrophobicContact CD1-CB 4.34Å; L331-K365 HydrophobicContact CD1-CD 4.39Å; Y360-K365 HydrophobicContact CD2-CB 3.68Å; Y360-K365 WeakPolarHBondContact CD2-O 3.48Å; Y360-K365 HydrophobicContact CE2-CB 3.77Å; Y360-K365 HydrophobicContact CE2-CD 4.25Å
366	D	48.1	Very low	65.5	Low	2 Å²	2	35 Å²	35	1%	0.011	19%	0.187	C	C	.	.			trans	-154.9	166.2	179.9	-158.4	9.8	0	0	0	110.8	L331 C400 G402 L404	L331-D366 WeakPolarHBondContact CD2-O 3.45Å; D366-C400 VanDerWaalsContact CB-C 3.48Å; D366-C400 VanDerWaalsContact CB-O 3.3Å; D366-C400 WeakPolarHBondContact CB-O 3.28Å; D366-G402 VanDerWaalsContact CG-C 3.46Å; D366-G402 VanDerWaalsContact OD2-CA 3.3Å; D366-G402 WeakPolarHBondContact OD2-CA 3.37Å; D366-G402 PolarHBondContact OD2-N 2.96Å; D366-L404 WeakPolarHBondContact OD1-CD2 3.25Å; D366-L404 WeakPolarHBondContact OD1-CG 3.16Å
367	S	48.7	Very low	65.9	Low	8 Å²	8	34.4 Å²	34.4	6%	0.056	18%	0.183	C	C	.	.			trans	-83.1	151.6	164.7	87.5	0	0	0	0	110.6	D371 L404	S367-D371 WeakPolarHBondContact CB-OD2 3.4Å; S367-L404 WeakPolarHBondContact O-CD2 3.16Å; S367-L404 WeakPolarHBondContact OG-CD1 3.17Å; S367-L404 WeakPolarHBondContact OG-CD2 3.48Å; S367-L404 WeakPolarHBondContact OG-CG 3.4Å
368	C	49.5	Very low	66.4	Low	14 Å²	14	34.3 Å²	34.3	10%	0.095	18%	0.183	C	C	.	.			trans	-120.6	180	-164	-96.9	0	0	0	0	113.1	S318 G370 D371 C400	S318-C368 WeakPolarHBondContact OG-CB 3.48Å; S318-C368 PolarHBondContact OG-SG 2.76Å; C368-G370 PolarHBondContact O-N 3.36Å; C368-D371 PolarHBondContact N-OD2 2.87Å; C368-D371 PolarHBondContact O-N 3Å; C368-C400 VanDerWaalsContact CA-SG 3.53Å; C368-C400 HydrophobicContact CB-CB 4.37Å; C368-C400 WeakPolarHBondContact CB-SG 3.43Å; C368-C400 VanDerWaalsContact SG-CA 3.53Å; C368-C400 WeakPolarHBondContact SG-CB 3.35Å; C368-C400 CovalentContact SG-SG 2.04Å; C368-C400 PolarHBondContact SG-SG 3.31Å
369	Q	49.8	Very low	66.7	Low	160 Å²	160	35 Å²	35	75%	0.748	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.2	167.8	-168.3	138	85.4	0	0	109	G317 S318	G317-Q369 WeakPolarHBondContact CA-O 3.41Å; S318-Q369 PolarHBondContact N-O 3.47Å
370	G	54.2	Low	67	Low	11 Å²	11	35.7 Å²	35.7	11%	0.113	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	-15	-175.9	0	0	0	0	0	115.1	F209 C368	F209-G370 WeakPolarHBondContact CE1-O 3.04Å; F209-G370 WeakPolarHBondContact CZ-O 3.38Å; C368-G370 PolarHBondContact O-N 3.36Å
371	D	70	Confident	67.3	Low	17 Å²	17	37.2 Å²	37.2	9%	0.091	20%	0.198	C	C	.	.			trans	-82.3	-2.7	167.4	-66	-46.9	0	0	0	112.7	G315 G317 S367 C368 G373 S374 V394	G315-D371 WeakPolarHBondContact CA-OD1 3.37Å; G317-D371 WeakPolarHBondContact CA-OD1 3.19Å; G317-D371 PolarHBondContact N-OD1 3.1Å; S367-D371 WeakPolarHBondContact CB-OD2 3.4Å; C368-D371 PolarHBondContact N-OD2 2.87Å; C368-D371 PolarHBondContact O-N 3Å; D371-G373 PolarHBondContact O-N 3.35Å; D371-S374 WeakPolarHBondContact O-CB 3.29Å; D371-S374 PolarHBondContact O-N 3.06Å; D371-S374 PolarHBondContact O-OG 2.82Å; D371-V394 HydrophobicContact CB-CG1 3.96Å; D371-V394 VanDerWaalsContact O-CB 3.27Å; D371-V394 WeakPolarHBondContact O-CB 3.46Å; D371-V394 WeakPolarHBondContact O-CG1 3.33Å
372	S	84.4	Confident	67.5	Low	24 Å²	24	37.4 Å²	37.4	17%	0.168	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	128	177.4	-75.1	0	0	0	0	111.5	C211 G212 H226 S374	C211-S372 CarbonylContact C-O 3.55Å; C211-S372 WeakPolarHBondContact CA-O 3.27Å; C211-S372 WeakPolarHBondContact CB-O 3.27Å; C211-S372 PolarHBondContact SG-O 2.94Å; G212-S372 PolarHBondContact N-O 3.44Å; H226-S372 PolarHBondContact CE1-OG 2.87Å; H226-S372 VanDerWaalsContact CE1-OG 3.3Å; H226-S372 WeakPolarHBondContact NE2-CB 3.07Å; H226-S372 PolarHBondContact NE2-OG 3.28Å; S372-S374 VanDerWaalsContact C-N 3.26Å; S372-S374 PolarHBondContact O-N 2.84Å
373	G	89	Confident	68.1	Low	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-11.8	-178.2	0	0	0	0	0	115.3	G212 T223 D371 V394	G212-G373 CarbonylContact C-O 3.5Å; G212-G373 CarbonylContact O-C 3.55Å; G212-G373 VanDerWaalsContact O-CA 3.26Å; G212-G373 WeakPolarHBondContact O-CA 3.31Å; T223-G373 WeakPolarHBondContact OG1-CA 3.43Å; D371-G373 PolarHBondContact O-N 3.35Å; G373-V394 PolarHBondContact N-O 3.03Å
374	S	91.1	Very high	68.6	Low	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.			trans	-66	154.1	175.1	-71.2	0	0	0	0	112.8	A314 D371 S372 I393 V394	A314-S374 WeakPolarHBondContact O-CB 3.46Å; A314-S374 PolarHBondContact O-OG 2.63Å; D371-S374 WeakPolarHBondContact O-CB 3.29Å; D371-S374 PolarHBondContact O-N 3.06Å; D371-S374 PolarHBondContact O-OG 2.82Å; S372-S374 VanDerWaalsContact C-N 3.26Å; S372-S374 PolarHBondContact O-N 2.84Å; S374-I393 WeakPolarHBondContact O-CA 3.27Å; S374-V394 PolarHBondContact O-N 3.14Å
375	P	93	Very high	69.4	Low	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.6	-179.7	31.9	-35.7	0	0	0	112.4	M200 M377 Q390	M200-P375 HydrophobicContact SD-CG 3.78Å; P375-M377 HydrophobicContact CB-CG 3.7Å; P375-M377 HydrophobicContact CB-SD 4.39Å; P375-M377 HydrophobicContact CG-CG 3.82Å; P375-M377 HydrophobicContact CG-SD 3.85Å; P375-Q390 HydrophobicContact CB-CG 3.88Å
376	L	89.1	Confident	70.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113	154.7	177.1	64.4	0	0	0	107.8	C311 V313 I333 L335 I356 Q390 I391 G392 V406	C311-L376 HydrophobicContact CB-CD1 4.41Å; V313-L376 HydrophobicContact CG1-CD1 3.88Å; I333-L376 HydrophobicContact CG2-CD1 3.67Å; L335-L376 HydrophobicContact CD2-CD2 3.86Å; I356-L376 HydrophobicContact CG2-CD2 4.01Å; L376-Q390 WeakPolarHBondContact O-CA 3.05Å; L376-I391 HydrophobicContact CB-CG1 4.39Å; L376-I391 HydrophobicContact CD2-CD1 3.72Å; L376-I391 HydrophobicContact CD2-CG1 3.82Å; L376-I391 HydrophobicContact CG-CD1 4.09Å; L376-I391 HydrophobicContact CG-CG1 3.85Å; L376-I391 PolarHBondContact O-N 3.3Å; L376-G392 PolarHBondContact N-O 2.91Å; L376-V406 HydrophobicContact CB-CG1 3.89Å; L376-V406 HydrophobicContact CB-CG2 4.47Å; L376-V406 HydrophobicContact CD2-CB 4.27Å; L376-V406 HydrophobicContact CD2-CG1 3.85Å; L376-V406 HydrophobicContact CD2-CG2 4.11Å
377	M	89.7	Confident	72.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.6	-170.2	-47.4	170.1	-73.2	0	0	109.2	W197 W199 I295 C311 Y312 A314 P375 W388 Y389	W197-M377 HydrophobicContact CD2-CE 4.01Å; W197-M377 HydrophobicContact CD2-SD 4.38Å; W197-M377 HydrophobicContact CE3-CE 3.93Å; W197-M377 HydrophobicContact CE3-SD 3.88Å; W197-M377 HydrophobicContact CH2-CE 4.23Å; W197-M377 HydrophobicContact CZ2-CE 4.36Å; W197-M377 HydrophobicContact CZ3-CE 4.03Å; W197-M377 HydrophobicContact CZ3-SD 4.16Å; W199-M377 HydrophobicContact CZ2-SD 3.72Å; W199-M377 PolarHBondContact NE1-SD 2.8Å; I295-M377 HydrophobicContact CD1-CB 3.9Å; I295-M377 HydrophobicContact CD1-CG 3.52Å; I295-M377 HydrophobicContact CD1-SD 4.08Å; C311-M377 CarbonylContact C-O 3.53Å; C311-M377 WeakPolarHBondContact CA-O 3.32Å; Y312-M377 PolarHBondContact N-O 2.89Å; Y312-M377 PolarHBondContact O-N 3.35Å; A314-M377 HydrophobicContact CB-CE 3.59Å; P375-M377 HydrophobicContact CB-CG 3.7Å; P375-M377 HydrophobicContact CB-SD 4.39Å; P375-M377 HydrophobicContact CG-CG 3.82Å; P375-M377 HydrophobicContact CG-SD 3.85Å; M377-W388 HydrophobicContact CB-CE3 3.94Å; M377-W388 HydrophobicContact CB-CZ3 4.44Å; M377-Y389 CarbonylContact C-O 3.52Å; M377-Y389 VanDerWaalsContact CA-O 3.27Å; M377-Y389 WeakPolarHBondContact CA-O 3.16Å
378	C	85.3	Confident	74	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.7	174.9	-55.9	0	0	0	0	109.9	L308 C311 Y389 I391	L308-C378 HydrophobicContact CB-CB 4.3Å; L308-C378 HydrophobicContact CD2-CB 3.95Å; C311-C378 HydrophobicContact CB-CB 4.16Å; C311-C378 WeakPolarHBondContact CB-SG 3.09Å; C311-C378 WeakPolarHBondContact SG-CB 3.24Å; C311-C378 CovalentContact SG-SG 2.04Å; C311-C378 PolarHBondContact SG-SG 2.99Å; C378-Y389 PolarHBondContact N-O 2.01Å; C378-Y389 PolarHBondContact O-N 2.97Å; C378-I391 WeakPolarHBondContact SG-CD1 3.35Å
379	Q	83.7	Confident	75.8	Confident	14 Å²	14	33.7 Å²	33.7	7%	0.065	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	154.3	164	-66.5	-174	-40.7	0	0	109.2	D309 H386 W388	D309-Q379 PolarHBondContact N-O 3.29Å; D309-Q379 PolarHBondContact O-N 2.96Å; Q379-H386 PolarHBondContact NE2-O 3.09Å; Q379-W388 HydrophobicContact CG-CD2 3.79Å; Q379-W388 HydrophobicContact CG-CE3 3.83Å; Q379-W388 HydrophobicContact CG-CG 4.4Å; Q379-W388 HydrophobicContact CG-CH2 4.07Å; Q379-W388 HydrophobicContact CG-CZ2 4.03Å; Q379-W388 HydrophobicContact CG-CZ3 3.98Å
380	L	78	Confident	77.7	Confident	14 Å²	14	26.1 Å²	26.1	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.8	170.6	-65	173.1	0	0	0	109.3	L298 M303 L308 T383 Y389	L298-L380 HydrophobicContact CD2-CD2 3.8Å; M303-L380 HydrophobicContact CE-CD1 4.15Å; M303-L380 HydrophobicContact CE-CD2 4.09Å; M303-L380 HydrophobicContact SD-CD2 3.41Å; M303-L380 WeakPolarHBondContact SD-CD2 3.19Å; L308-L380 HydrophobicContact CD2-CD2 3.82Å; L380-T383 HydrophobicContact CB-CG2 3.3Å; L380-T383 HydrophobicContact CD1-CG2 3.86Å; L380-T383 HydrophobicContact CG-CG2 4.22Å; L380-T383 PolarHBondContact O-OG1 2.89Å; L380-Y389 HydrophobicContact CD1-CD2 4.21Å; L380-Y389 HydrophobicContact CD1-CE2 3.58Å; L380-Y389 HydrophobicContact CG-CD2 3.92Å; L380-Y389 HydrophobicContact CG-CE2 3.74Å
381	H	68.8	Low	79.2	Confident	75 Å²	75	25.7 Å²	25.7	35%	0.347	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	141.6	173.2	-171.8	79.2	0	0	0	109.5	E307 D309 T383	E307-H381 VanDerWaalsContact O-CB 3.31Å; E307-H381 WeakPolarHBondContact O-CB 3.36Å; E307-H381 PolarHBondContact O-N 3.28Å; D309-H381 HydrophobicContact CB-CB 4.34Å; D309-H381 IonicContact OD2-ND1 2.69Å; H381-T383 PolarHBondContact O-N 2.73Å
382	N	60.4	Low	80.1	Confident	123 Å²	123	24.9 Å²	24.9	66%	0.658	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	18.9	-179.9	-61.9	-24.5	0	0	0	115.9
383	T	60.8	Low	80.3	Confident	44 Å²	44	23.7 Å²	23.7	27%	0.27	12%	0.123	S	C	.	.			trans	-92.4	144.5	168.6	72	0	0	0	0	111	L380 H381 D385	L380-T383 HydrophobicContact CB-CG2 3.3Å; L380-T383 HydrophobicContact CD1-CG2 3.86Å; L380-T383 HydrophobicContact CG-CG2 4.22Å; L380-T383 PolarHBondContact O-OG1 2.89Å; H381-T383 PolarHBondContact O-N 2.73Å; T383-D385 WeakPolarHBondContact CB-OD1 3.39Å; T383-D385 PolarHBondContact OG1-OD1 3.35Å
384	T	57.6	Low	80.2	Confident	71 Å²	71	24 Å²	24	44%	0.436	13%	0.125	S	C	.	.	S	Bend	trans	-88.3	-20.1	-177.2	44.6	0	0	0	0	111	L156 H386	L156-T384 WeakPolarHBondContact CB-O 3.2Å; L156-T384 VanDerWaalsContact CD1-CB 3.4Å; L156-T384 WeakPolarHBondContact CD1-O 3.32Å; L156-T384 WeakPolarHBondContact CD1-OG1 3.41Å; L156-T384 VanDerWaalsContact CG-C 3.45Å; L156-T384 VanDerWaalsContact CG-CB 3.49Å; L156-T384 WeakPolarHBondContact CG-O 3.26Å; T384-H386 VanDerWaalsContact C-N 3.26Å; T384-H386 PolarHBondContact O-N 3.28Å
385	D	59.7	Low	79.7	Confident	59 Å²	59	24.2 Å²	24.2	32%	0.316	13%	0.127	S	C	.	.	S	Bend	trans	-67.4	-19.3	-178.4	63.1	4	0	0	0	115.3	L156 T383 A387 Y389	L156-D385 HydrophobicContact CD1-CB 4.47Å; T383-D385 WeakPolarHBondContact CB-OD1 3.39Å; T383-D385 PolarHBondContact OG1-OD1 3.35Å; D385-A387 HydrophobicContact CB-CB 4.22Å; D385-A387 PolarHBondContact O-N 3.26Å; D385-A387 PolarHBondContact OD1-N 3.06Å; D385-Y389 PolarHBondContact OD2-OH 3.04Å; D385-Y389 VanDerWaalsContact OD2-OH 3.1Å
386	H	69.8	Low	78.8	Confident	30 Å²	30	26.7 Å²	26.7	14%	0.139	14%	0.137	C	C	.	.			trans	48	25.9	-174.5	-61.9	-45.6	0	0	0	112.5	Q169 Q379 T384	Q169-H386 VanDerWaalsContact NE2-CB 3.29Å; Q379-H386 PolarHBondContact NE2-O 3.09Å; T384-H386 VanDerWaalsContact C-N 3.26Å; T384-H386 PolarHBondContact O-N 3.28Å
387	A	81.2	Confident	77.7	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.033	16%	0.157	C	C	.	.			trans	-75.6	141.9	-177	0	0	0	0	0	109.4	D385 Y389	D385-A387 HydrophobicContact CB-CB 4.22Å; D385-A387 PolarHBondContact O-N 3.26Å; D385-A387 PolarHBondContact OD1-N 3.06Å; A387-Y389 HydrophobicContact CB-CE2 3.8Å; A387-Y389 WeakPolarHBondContact O-CD2 3.46Å; A387-Y389 WeakPolarHBondContact O-CE2 3.28Å
388	W	88.2	Confident	75.8	Confident	25 Å²	25	34.3 Å²	34.3	10%	0.095	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130	173.4	-69.7	91.6	0	0	0	110.5	G165 W197 W199 I295 C296 R310 Y312 M377 Q379	G165-W388 WeakPolarHBondContact CA-O 3.28Å; G165-W388 PolarHBondContact O-N 2.48Å; W197-W388 HydrophobicContact CH2-CD2 4.31Å; W197-W388 AromaticContact CH2-CE2 3.97Å; W197-W388 HydrophobicContact CH2-CE3 4.29Å; W197-W388 AromaticContact CH2-CH2 3.61Å; W197-W388 HydrophobicContact CH2-CH2 3.61Å; W197-W388 AromaticContact CH2-CZ2 3.62Å; W197-W388 HydrophobicContact CH2-CZ2 3.62Å; W197-W388 AromaticContact CH2-CZ3 3.94Å; W197-W388 HydrophobicContact CH2-CZ3 3.94Å; W197-W388 AromaticContact CZ3-CD2 3.71Å; W197-W388 HydrophobicContact CZ3-CD2 3.71Å; W197-W388 AromaticContact CZ3-CE2 3.61Å; W197-W388 AromaticContact CZ3-CE3 3.94Å; W197-W388 HydrophobicContact CZ3-CE3 3.94Å; W197-W388 HydrophobicContact CZ3-CG 4.3Å; W197-W388 HydrophobicContact CZ3-CH2 4.02Å; W197-W388 AromaticContact CZ3-CZ2 3.79Å; W197-W388 HydrophobicContact CZ3-CZ2 3.79Å; W197-W388 HydrophobicContact CZ3-CZ3 4.08Å; W199-W388 HydrophobicContact CH2-CB 3.39Å; W199-W388 AromaticContact CH2-CD1 3.69Å; W199-W388 AromaticContact CH2-CG 3.59Å; W199-W388 HydrophobicContact CH2-CG 3.59Å; W199-W388 HydrophobicContact CZ2-CB 3.72Å; W199-W388 AromaticContact CZ2-CG 3.97Å; W199-W388 HydrophobicContact CZ2-CG 3.97Å; W199-W388 HydrophobicContact CZ3-CB 4.29Å; I295-W388 HydrophobicContact CD1-CB 4.22Å; I295-W388 HydrophobicContact CG1-CB 4.29Å; I295-W388 VanDerWaalsContact CG1-O 3.25Å; I295-W388 WeakPolarHBondContact CG1-O 3Å; C296-W388 WeakPolarHBondContact CB-O 3.14Å; C296-W388 PolarHBondContact N-O 3.42Å; R310-W388 WeakPolarHBondContact O-CZ3 3.01Å; Y312-W388 AromaticContact CD2-CH2 3.55Å; Y312-W388 HydrophobicContact CD2-CH2 3.55Å; Y312-W388 AromaticContact CD2-CZ3 3.76Å; Y312-W388 HydrophobicContact CD2-CZ3 3.76Å; Y312-W388 AromaticContact CE2-CH2 3.88Å; Y312-W388 HydrophobicContact CE2-CH2 3.88Å; Y312-W388 HydrophobicContact CE2-CZ3 4.49Å; Y312-W388 HydrophobicContact CG-CH2 4.48Å; M377-W388 HydrophobicContact CB-CE3 3.94Å; M377-W388 HydrophobicContact CB-CZ3 4.44Å; Q379-W388 HydrophobicContact CG-CD2 3.79Å; Q379-W388 HydrophobicContact CG-CE3 3.83Å; Q379-W388 HydrophobicContact CG-CG 4.4Å; Q379-W388 HydrophobicContact CG-CH2 4.07Å; Q379-W388 HydrophobicContact CG-CZ2 4.03Å; Q379-W388 HydrophobicContact CG-CZ3 3.98Å
389	Y	87.7	Confident	73.9	Confident	37 Å²	37	38.5 Å²	38.5	15%	0.145	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	179.4	-67.1	-87.2	0	0	0	110	C296 L298 M377 C378 L380 D385 A387 I391	C296-Y389 HydrophobicContact CB-CD1 3.42Å; C296-Y389 VanDerWaalsContact CB-CD1 3.42Å; C296-Y389 HydrophobicContact CB-CE1 3.62Å; C296-Y389 HydrophobicContact CB-CG 4.19Å; C296-Y389 CarbonylContact O-C 3.56Å; C296-Y389 WeakPolarHBondContact O-CA 3.48Å; L298-Y389 HydrophobicContact CB-CD1 3.73Å; L298-Y389 HydrophobicContact CB-CG 4.03Å; L298-Y389 HydrophobicContact CD1-CD1 4.15Å; L298-Y389 HydrophobicContact CD1-CE1 4.38Å; L298-Y389 HydrophobicContact CG-CD1 4.44Å; M377-Y389 CarbonylContact C-O 3.52Å; M377-Y389 VanDerWaalsContact CA-O 3.27Å; M377-Y389 WeakPolarHBondContact CA-O 3.16Å; C378-Y389 PolarHBondContact N-O 2.01Å; C378-Y389 PolarHBondContact O-N 2.97Å; L380-Y389 HydrophobicContact CD1-CD2 4.21Å; L380-Y389 HydrophobicContact CD1-CE2 3.58Å; L380-Y389 HydrophobicContact CG-CD2 3.92Å; L380-Y389 HydrophobicContact CG-CE2 3.74Å; D385-Y389 PolarHBondContact OD2-OH 3.04Å; D385-Y389 VanDerWaalsContact OD2-OH 3.1Å; A387-Y389 HydrophobicContact CB-CE2 3.8Å; A387-Y389 WeakPolarHBondContact O-CD2 3.46Å; A387-Y389 WeakPolarHBondContact O-CE2 3.28Å; Y389-I391 PolarHBondContact O-N 2.81Å
390	Q	90.5	Very high	71.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116	164.8	-172.8	171.8	-1.9	0	0	108.9	S214 I295 C296 I297 L298 P375 L376 G392	S214-Q390 VanDerWaalsContact CB-OE1 3.26Å; S214-Q390 PolarHBondContact OG-NE2 3.39Å; S214-Q390 PolarHBondContact OG-OE1 3.29Å; I295-Q390 HydrophobicContact CD1-CB 3.86Å; I295-Q390 HydrophobicContact CG1-CB 4.18Å; I295-Q390 HydrophobicContact CG2-CB 3.84Å; C296-Q390 PolarHBondContact O-N 2.95Å; I297-Q390 HydrophobicContact CD1-CB 3.88Å; I297-Q390 HydrophobicContact CD1-CG 4.42Å; L298-Q390 PolarHBondContact N-O 3.35Å; P375-Q390 HydrophobicContact CB-CG 3.88Å; L376-Q390 WeakPolarHBondContact O-CA 3.05Å; Q390-G392 WeakPolarHBondContact CG-O 3.37Å; Q390-G392 PolarHBondContact NE2-O 3.37Å
391	I	85.5	Confident	69.9	Low	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-9.2	175.4	64	165.2	0	0	0	111.8	L298 T300 L308 L335 I356 L376 C378 Y389	L298-I391 HydrophobicContact CB-CG2 4.22Å; L298-I391 HydrophobicContact CD2-CG2 3.9Å; T300-I391 HydrophobicContact CG2-CB 3.86Å; T300-I391 HydrophobicContact CG2-CG2 4.12Å; L308-I391 HydrophobicContact CD1-CD1 3.91Å; L308-I391 HydrophobicContact CD1-CG2 4.17Å; L308-I391 HydrophobicContact CD2-CG2 4.14Å; L335-I391 HydrophobicContact CD1-CD1 4.03Å; L335-I391 HydrophobicContact CD2-CD1 4.05Å; I356-I391 HydrophobicContact CD1-CB 4.46Å; I356-I391 HydrophobicContact CD1-CD1 4.1Å; I356-I391 HydrophobicContact CD1-CG1 4.28Å; I356-I391 WeakPolarHBondContact CD1-O 3.4Å; L376-I391 HydrophobicContact CB-CG1 4.39Å; L376-I391 HydrophobicContact CD2-CD1 3.72Å; L376-I391 HydrophobicContact CD2-CG1 3.82Å; L376-I391 HydrophobicContact CG-CD1 4.09Å; L376-I391 HydrophobicContact CG-CG1 3.85Å; L376-I391 PolarHBondContact O-N 3.3Å; C378-I391 WeakPolarHBondContact SG-CD1 3.35Å; Y389-I391 PolarHBondContact O-N 2.81Å
392	G	87.7	Confident	68.5	Low	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	170.5	-170.5	0	0	0	0	0	115.5	L376 Q390 V406 T407	L376-G392 PolarHBondContact N-O 2.91Å; Q390-G392 WeakPolarHBondContact CG-O 3.37Å; Q390-G392 PolarHBondContact NE2-O 3.37Å; G392-V406 VanDerWaalsContact C-CG1 3.43Å; G392-T407 VanDerWaalsContact CA-O 3.32Å; G392-T407 WeakPolarHBondContact CA-O 3.29Å
393	I	88.9	Confident	67.8	Low	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130	175.4	-57	172.9	0	0	0	109.3	L222 T223 A224 Y277 S374 S395 V406 T407 L410	L222-I393 HydrophobicContact CD1-CD1 3.6Å; L222-I393 HydrophobicContact CD2-CD1 3.95Å; L222-I393 HydrophobicContact CD2-CG1 4.19Å; L222-I393 HydrophobicContact CG-CD1 3.45Å; L222-I393 VanDerWaalsContact CG-CD1 3.45Å; L222-I393 HydrophobicContact CG-CG1 4.08Å; T223-I393 VanDerWaalsContact O-CD1 3.29Å; T223-I393 WeakPolarHBondContact O-CD1 3.3Å; A224-I393 HydrophobicContact CB-CG2 4.06Å; Y277-I393 VanDerWaalsContact CB-CD1 3.45Å; S374-I393 WeakPolarHBondContact O-CA 3.27Å; I393-S395 PolarHBondContact O-N 3.3Å; I393-V406 VanDerWaalsContact O-CA 3.22Å; I393-V406 WeakPolarHBondContact O-CA 3.25Å; I393-V406 VanDerWaalsContact O-CG1 3.32Å; I393-V406 WeakPolarHBondContact O-CG1 3.44Å; I393-T407 PolarHBondContact O-N 3.04Å; I393-L410 HydrophobicContact CD1-CD2 3.61Å; I393-L410 HydrophobicContact CG1-CD1 4.2Å; I393-L410 HydrophobicContact CG1-CD2 3.99Å
394	V	87.4	Confident	67.3	Low	5 Å²	5	32 Å²	32	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	121	174.6	176.7	0	0	0	0	109.6	V313 D371 G373 S374	V313-V394 HydrophobicContact CB-CG2 4.48Å; V313-V394 HydrophobicContact CG1-CG2 3.86Å; D371-V394 HydrophobicContact CB-CG1 3.96Å; D371-V394 VanDerWaalsContact O-CB 3.27Å; D371-V394 WeakPolarHBondContact O-CB 3.46Å; D371-V394 WeakPolarHBondContact O-CG1 3.33Å; G373-V394 PolarHBondContact N-O 3.03Å; S374-V394 PolarHBondContact O-N 3.14Å
395	S	81.2	Confident	66.8	Low	6 Å²	6	28.7 Å²	28.7	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-64.1	-174.6	175.5	0	0	0	0	111.7	H226 D276 I393 T405	H226-S395 PolarHBondContact CE1-O 2.95Å; D276-S395 WeakPolarHBondContact OD2-CB 3.46Å; D276-S395 PolarHBondContact OD2-OG 2.82Å; I393-S395 PolarHBondContact O-N 3.3Å; S395-T405 PolarHBondContact N-O 3.31Å
396	F	74	Confident	66.5	Low	52 Å²	52	26 Å²	26	23%	0.228	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161.4	179.8	67.1	-90	0	0	0	112.3	Y273 Y347 L351 M355 T405	Y273-F396 HydrophobicContact CD2-CD1 4.11Å; Y273-F396 HydrophobicContact CD2-CE1 4.48Å; Y273-F396 AromaticContact CG-CD1 3.95Å; Y273-F396 HydrophobicContact CG-CD1 3.95Å; Y273-F396 HydrophobicContact CG-CE1 4.38Å; Y347-F396 HydrophobicContact CD1-CE2 4.33Å; Y347-F396 HydrophobicContact CE1-CD2 4.27Å; Y347-F396 AromaticContact CE1-CE2 3.78Å; Y347-F396 HydrophobicContact CE1-CE2 3.78Å; L351-F396 HydrophobicContact CD2-CE2 3.97Å; L351-F396 HydrophobicContact CD2-CZ 3.66Å; M355-F396 HydrophobicContact CE-CE1 4.29Å; M355-F396 HydrophobicContact SD-CE1 4.2Å; M355-F396 HydrophobicContact SD-CZ 4.19Å; F396-T405 HydrophobicContact CD1-CG2 4.46Å; F396-T405 HydrophobicContact CE1-CG2 3.67Å; F396-T405 HydrophobicContact CE2-CG2 4.19Å; F396-T405 VanDerWaalsContact CE2-OG1 3.3Å; F396-T405 WeakPolarHBondContact CE2-OG1 3.38Å; F396-T405 HydrophobicContact CZ-CG2 3.52Å; F396-T405 PolarHBondContact N-O 2.84Å; F396-T405 PolarHBondContact O-N 3.08Å
397	G	65	Low	65.6	Low	40 Å²	40	24.6 Å²	24.6	41%	0.412	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.7	177.9	0	0	0	0	0	112.3	Y347	Y347-G397 WeakPolarHBondContact OH-CA 3.35Å
398	K	49.5	Very low	64	Low	120 Å²	120	25.8 Å²	25.8	52%	0.522	15%	0.153	S	C	.	.	S	Bend	trans	-94.8	95.6	172.5	-172.5	-176.9	-179.5	-175.6	0	108.3	Y347 K403	Y347-K398 HydrophobicContact CE1-CB 4.32Å; Y347-K398 PolarHBondContact OH-N 2.8Å; K398-K403 PolarHBondContact N-O 2.79Å
399	S	47	Very low	61.9	Low	87 Å²	87	27.1 Å²	27.1	61%	0.608	16%	0.16	S	C	*	.	S	Bend	trans	67.5	147.2	-177.3	73.2	0	0	0	0	115	A401 G402	S399-A401 PolarHBondContact O-N 2.92Å; S399-G402 PolarHBondContact O-N 3.42Å
400	C	41.1	Very low	59.7	Low	50 Å²	50	25.4 Å²	25.4	34%	0.338	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	5.6	178.5	-96.5	0	0	0	0	116.6	S318 D366 C368	S318-C400 PolarHBondContact OG-SG 2.84Å; D366-C400 VanDerWaalsContact CB-C 3.48Å; D366-C400 VanDerWaalsContact CB-O 3.3Å; D366-C400 WeakPolarHBondContact CB-O 3.28Å; C368-C400 VanDerWaalsContact CA-SG 3.53Å; C368-C400 HydrophobicContact CB-CB 4.37Å; C368-C400 WeakPolarHBondContact CB-SG 3.43Å; C368-C400 VanDerWaalsContact SG-CA 3.53Å; C368-C400 WeakPolarHBondContact SG-CB 3.35Å; C368-C400 CovalentContact SG-SG 2.04Å; C368-C400 PolarHBondContact SG-SG 3.31Å
401	A	35.3	Very low	57	Low	38 Å²	38	26 Å²	26	31%	0.314	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	21.7	179.1	0	0	0	0	0	111	G363 G364 S399	G363-A401 WeakPolarHBondContact CA-O 3.48Å; G364-A401 PolarHBondContact N-O 2.78Å; S399-A401 PolarHBondContact O-N 2.92Å
402	G	40.2	Very low	54.3	Low	14 Å²	14	30.5 Å²	30.5	14%	0.144	18%	0.181	C	C	.	.	S	Bend	trans	-113.4	-145.3	-173.8	0	0	0	0	0	114	D366 S399	D366-G402 VanDerWaalsContact CG-C 3.46Å; D366-G402 VanDerWaalsContact OD2-CA 3.3Å; D366-G402 WeakPolarHBondContact OD2-CA 3.37Å; D366-G402 PolarHBondContact OD2-N 2.96Å; S399-G402 PolarHBondContact O-N 3.42Å
403	K	45.6	Very low	51.6	Low	31 Å²	31	32.8 Å²	32.8	14%	0.135	19%	0.19	C	C	.	.			trans	-99.5	137.9	-179.3	-63.3	173.7	176.3	-179.7	0	108.5	L336 V340 A346 Y347 K398	L336-K403 HydrophobicContact CD1-CD 4.21Å; L336-K403 HydrophobicContact CD1-CG 4.01Å; V340-K403 PolarHBondContact O-NZ 2.86Å; V340-K403 VanDerWaalsContact O-NZ 3.13Å; A346-K403 HydrophobicContact CB-CD 3.97Å; Y347-K403 HydrophobicContact CE2-CB 3.88Å; Y347-K403 PolarHBondContact OH-O 3.12Å; K398-K403 PolarHBondContact N-O 2.79Å
404	L	49.4	Very low	48.7	Very low	2 Å²	2	33 Å²	33	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	152.4	172.6	-56	176.8	0	0	0	112.9	I333 C357 A358 D366 S367	I333-L404 HydrophobicContact CD1-CD1 3.27Å; I333-L404 HydrophobicContact CD1-CG 4.02Å; C357-L404 VanDerWaalsContact CA-O 3.24Å; C357-L404 WeakPolarHBondContact CA-O 3.09Å; C357-L404 PolarHBondContact SG-O 2.79Å; C357-L404 VanDerWaalsContact SG-O 3.39Å; A358-L404 PolarHBondContact N-O 3.37Å; A358-L404 VanDerWaalsContact N-O 3.08Å; A358-L404 WeakPolarHBondContact O-CA 3.19Å; A358-L404 WeakPolarHBondContact O-CB 3.33Å; A358-L404 PolarHBondContact O-N 3.47Å; D366-L404 WeakPolarHBondContact OD1-CD2 3.25Å; D366-L404 WeakPolarHBondContact OD1-CG 3.16Å; S367-L404 WeakPolarHBondContact O-CD2 3.16Å; S367-L404 WeakPolarHBondContact OG-CD1 3.17Å; S367-L404 WeakPolarHBondContact OG-CD2 3.48Å; S367-L404 WeakPolarHBondContact OG-CG 3.4Å
405	T	47.2	Very low	45.9	Very low	1 Å²	1	35.6 Å²	35.6	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135	166.7	-48.8	0	0	0	0	110.2	Y347 L351 M355 I356 S395 F396	Y347-T405 PolarHBondContact OH-OG1 2.88Å; L351-T405 HydrophobicContact CD1-CG2 4.48Å; L351-T405 HydrophobicContact CD2-CG2 3.75Å; L351-T405 WeakPolarHBondContact CD2-OG1 3.19Å; M355-T405 HydrophobicContact CB-CG2 3.65Å; M355-T405 HydrophobicContact CG-CG2 3.88Å; M355-T405 HydrophobicContact SD-CG2 3.59Å; M355-T405 VanDerWaalsContact SD-CG2 3.59Å; I356-T405 CarbonylContact O-C 3.09Å; I356-T405 WeakPolarHBondContact O-CA 3.49Å; S395-T405 PolarHBondContact N-O 3.31Å; F396-T405 HydrophobicContact CD1-CG2 4.46Å; F396-T405 HydrophobicContact CE1-CG2 3.67Å; F396-T405 HydrophobicContact CE2-CG2 4.19Å; F396-T405 VanDerWaalsContact CE2-OG1 3.3Å; F396-T405 WeakPolarHBondContact CE2-OG1 3.38Å; F396-T405 HydrophobicContact CZ-CG2 3.52Å; F396-T405 PolarHBondContact N-O 2.84Å; F396-T405 PolarHBondContact O-N 3.08Å
406	V	54.5	Low	43.2	Very low	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.5	-171	174.4	0	0	0	0	108.7	M355 I356 L376 G392 I393	M355-V406 CarbonylContact C-O 3.52Å; M355-V406 VanDerWaalsContact CA-O 3.22Å; M355-V406 WeakPolarHBondContact CA-O 3.31Å; I356-V406 HydrophobicContact CB-CB 4.16Å; I356-V406 PolarHBondContact N-O 3.4Å; I356-V406 PolarHBondContact O-N 3.3Å; L376-V406 HydrophobicContact CB-CG1 3.89Å; L376-V406 HydrophobicContact CB-CG2 4.47Å; L376-V406 HydrophobicContact CD2-CB 4.27Å; L376-V406 HydrophobicContact CD2-CG1 3.85Å; L376-V406 HydrophobicContact CD2-CG2 4.11Å; G392-V406 VanDerWaalsContact C-CG1 3.43Å; I393-V406 VanDerWaalsContact O-CA 3.22Å; I393-V406 WeakPolarHBondContact O-CA 3.25Å; I393-V406 VanDerWaalsContact O-CG1 3.32Å; I393-V406 WeakPolarHBondContact O-CG1 3.44Å
407	T	50.7	Low	41	Very low	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130	179.4	-52.9	0	0	0	0	111.9	D276 Y277 G392 I393	D276-T407 PolarHBondContact O-OG1 3.2Å; Y277-T407 HydrophobicContact CD1-CG2 3.82Å; Y277-T407 HydrophobicContact CE1-CG2 4.32Å; G392-T407 VanDerWaalsContact CA-O 3.32Å; G392-T407 WeakPolarHBondContact CA-O 3.29Å; I393-T407 PolarHBondContact O-N 3.04Å
408	N	47.6	Very low	39.2	Very low	30 Å²	30	42.1 Å²	42.1	16%	0.16	23%	0.227	C	C	.	.			trans	-100	-35.8	-170	-164.1	10.2	0	0	0	114.9	T300 T354 I356 L410	T300-N408 WeakPolarHBondContact CB-OD1 3.38Å; T300-N408 WeakPolarHBondContact CG2-OD1 3.42Å; T300-N408 PolarHBondContact OG1-O 3.06Å; T300-N408 PolarHBondContact OG1-OD1 3.05Å; T354-N408 VanDerWaalsContact O-CB 3.32Å; T354-N408 WeakPolarHBondContact O-CB 3.44Å; T354-N408 PolarHBondContact O-N 3.05Å; I356-N408 HydrophobicContact CD1-CB 3.78Å; I356-N408 WeakPolarHBondContact CD1-OD1 3.41Å; I356-N408 HydrophobicContact CG1-CB 3.72Å; I356-N408 VanDerWaalsContact CG1-CG 3.42Å; N408-L410 PolarHBondContact O-N 3.39Å
409	H	44.6	Very low	38.2	Very low	53 Å²	53	42.9 Å²	42.9	25%	0.245	24%	0.236	C	C	.	.			trans	-80.6	35.1	-174.7	-68.4	-36.3	0	0	0	115.4	T354 P411	T354-H409 VanDerWaalsContact CA-CD2 3.48Å; T354-H409 WeakPolarHBondContact CA-CD2 3.21Å; T354-H409 VanDerWaalsContact CB-CD2 3.42Å; T354-H409 WeakPolarHBondContact CB-CD2 3.37Å; T354-H409 WeakPolarHBondContact CG2-CD2 3.1Å; H409-P411 VanDerWaalsContact C-CD 3.43Å
410	L	41.5	Very low	37.2	Very low	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-52.4	-49.3	172.9	-57.9	176	0	0	0	114.1	L222 Y277 I393 N408 K413 I414	L222-L410 HydrophobicContact CD1-CD2 4.42Å; L222-L410 HydrophobicContact CD2-CD1 4.14Å; L222-L410 HydrophobicContact CD2-CD2 4.26Å; Y277-L410 HydrophobicContact CD1-CD2 4.42Å; Y277-L410 HydrophobicContact CD2-CD2 4.38Å; Y277-L410 HydrophobicContact CG-CD2 4.05Å; I393-L410 HydrophobicContact CD1-CD2 3.61Å; I393-L410 HydrophobicContact CG1-CD1 4.2Å; I393-L410 HydrophobicContact CG1-CD2 3.99Å; N408-L410 PolarHBondContact O-N 3.39Å; L410-K413 PolarHBondContact O-N 3.02Å; L410-I414 HydrophobicContact CB-CD1 3.79Å; L410-I414 HydrophobicContact CD2-CD1 4.32Å; L410-I414 WeakPolarHBondContact O-CB 3.46Å; L410-I414 WeakPolarHBondContact O-CD1 3.5Å; L410-I414 WeakPolarHBondContact O-CG1 3.37Å; L410-I414 PolarHBondContact O-N 3.04Å
411	P	33.1	Very low	36.8	Very low	14 Å²	14	49.2 Å²	49.2	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-81.2	-48.3	-153.1	-22.4	42	0	0	0	113.8	I297 L298 D299 H409 K413 S415	I297-P411 HydrophobicContact CG2-CB 4.24Å; I297-P411 HydrophobicContact CG2-CG 4.1Å; L298-P411 WeakPolarHBondContact O-CG 3.33Å; D299-P411 HydrophobicContact CB-CB 3.72Å; D299-P411 HydrophobicContact CB-CG 4.24Å; H409-P411 VanDerWaalsContact C-CD 3.43Å; P411-K413 PolarHBondContact O-N 2.81Å; P411-S415 WeakPolarHBondContact O-CB 3.43Å; P411-S415 PolarHBondContact O-N 3.29Å; P411-S415 VanDerWaalsContact O-N 3.11Å; P411-S415 PolarHBondContact O-OG 2.93Å
412	I	28.8	Very low	36.9	Very low	96 Å²	96	49.8 Å²	49.8	49%	0.492	26%	0.257	S	S	.	.	H	α-helix	trans	-57.1	-32.2	174.4	-63.8	177	0	0	0	111.1	T301 S415	T301-I412 HydrophobicContact CG2-CD1 3.75Å; I412-S415 PolarHBondContact O-OG 3.27Å; I412-S415 VanDerWaalsContact O-OG 3.09Å
413	K	30.6	Very low	36.7	Very low	48 Å²	48	51.7 Å²	51.7	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-94.6	-37	-175.1	-67.6	-174.5	170.1	-164.8	0	113.3	H264 Y275 Y277 L410 P411 H416 Y417	H264-K413 PolarHBondContact CE1-NZ 3.14Å; H264-K413 WeakPolarHBondContact NE2-CD 3.3Å; H264-K413 PolarHBondContact NE2-NZ 3.36Å; Y275-K413 VanDerWaalsContact CD1-NZ 3.27Å; Y277-K413 WeakPolarHBondContact OH-CB 3.26Å; Y277-K413 WeakPolarHBondContact OH-CD 3.16Å; L410-K413 PolarHBondContact O-N 3.02Å; P411-K413 PolarHBondContact O-N 2.81Å; K413-H416 WeakPolarHBondContact O-CB 3.4Å; K413-H416 PolarHBondContact O-N 2.97Å; K413-Y417 WeakPolarHBondContact O-CD2 3.18Å; K413-Y417 PolarHBondContact O-N 2.78Å; K413-Y417 VanDerWaalsContact O-N 3.16Å
414	I	27.8	Very low	36.2	Very low	4 Å²	4	52.8 Å²	52.8	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-43.9	173.2	-72.5	170.8	0	0	0	110.6	I216 L222 L279 L410 H416 Y417 F418	I216-I414 HydrophobicContact CD1-CG2 4.3Å; L222-I414 HydrophobicContact CD1-CD1 3.67Å; L222-I414 HydrophobicContact CD1-CG1 4.39Å; L222-I414 HydrophobicContact CD2-CD1 3.66Å; L222-I414 HydrophobicContact CG-CD1 4.3Å; L279-I414 HydrophobicContact CD2-CG1 4.4Å; L410-I414 HydrophobicContact CB-CD1 3.79Å; L410-I414 HydrophobicContact CD2-CD1 4.32Å; L410-I414 WeakPolarHBondContact O-CB 3.46Å; L410-I414 WeakPolarHBondContact O-CD1 3.5Å; L410-I414 WeakPolarHBondContact O-CG1 3.37Å; L410-I414 PolarHBondContact O-N 3.04Å; I414-H416 VanDerWaalsContact C-N 3.26Å; I414-H416 PolarHBondContact O-N 3.18Å; I414-Y417 PolarHBondContact O-N 3.26Å; I414-F418 HydrophobicContact CG2-CD2 3.83Å; I414-F418 HydrophobicContact CG2-CE2 3.25Å; I414-F418 HydrophobicContact CG2-CZ 3.99Å; I414-F418 VanDerWaalsContact O-CD2 3.25Å; I414-F418 WeakPolarHBondContact O-CD2 3.24Å; I414-F418 PolarHBondContact O-N 3.31Å
415	S	28.5	Very low	35.5	Very low	59 Å²	59	55.8 Å²	55.8	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-58.7	-36.2	174.1	55.9	0	0	0	0	112.8	P411 I412 F418 N419	P411-S415 WeakPolarHBondContact O-CB 3.43Å; P411-S415 PolarHBondContact O-N 3.29Å; P411-S415 VanDerWaalsContact O-N 3.11Å; P411-S415 PolarHBondContact O-OG 2.93Å; I412-S415 PolarHBondContact O-OG 3.27Å; I412-S415 VanDerWaalsContact O-OG 3.09Å; S415-F418 PolarHBondContact O-N 2.82Å; S415-N419 PolarHBondContact O-ND2 2.93Å
416	H	24.7	Very low	34.7	Very low	107 Å²	107	59.3 Å²	59.3	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-34.4	173.6	-166.7	-92.4	0	0	0	112.7	K413 I414 N419 H420	K413-H416 WeakPolarHBondContact O-CB 3.4Å; K413-H416 PolarHBondContact O-N 2.97Å; I414-H416 VanDerWaalsContact C-N 3.26Å; I414-H416 PolarHBondContact O-N 3.18Å; H416-N419 PolarHBondContact O-N 3.23Å; H416-H420 AromaticContact CD2-NE2 3.92Å; H416-H420 AromaticContact CE1-CD2 3.21Å; H416-H420 PolarHBondContact CE1-CD2 2.94Å; H416-H420 AromaticContact CE1-NE2 3.17Å; H416-H420 PolarHBondContact CE1-NE2 3.27Å; H416-H420 AromaticContact ND1-CD2 3.49Å; H416-H420 PolarHBondContact ND1-CD2 2.74Å; H416-H420 AromaticContact ND1-NE2 3.89Å; H416-H420 AromaticContact NE2-CD2 3.59Å; H416-H420 AromaticContact NE2-NE2 3.16Å; H416-H420 PolarHBondContact NE2-NE2 3.1Å; H416-H420 VanDerWaalsContact NE2-NE2 3.16Å; H416-H420 PolarHBondContact O-CD2 2.9Å; H416-H420 VanDerWaalsContact O-CD2 3.23Å
417	Y	27.6	Very low	33.4	Very low	49 Å²	49	63.1 Å²	63.1	19%	0.192	32%	0.323	C	S	.	.	H	α-helix	trans	-71.1	-33.4	176	-75.3	-75.4	0	0	0	113.5	P265 L279 K413 I414 N419	P265-Y417 WeakPolarHBondContact CD-OH 3.49Å; P265-Y417 WeakPolarHBondContact CG-OH 3.16Å; L279-Y417 HydrophobicContact CD1-CD2 4.11Å; L279-Y417 HydrophobicContact CD1-CG 3.91Å; K413-Y417 WeakPolarHBondContact O-CD2 3.18Å; K413-Y417 PolarHBondContact O-N 2.78Å; K413-Y417 VanDerWaalsContact O-N 3.16Å; I414-Y417 PolarHBondContact O-N 3.26Å; Y417-N419 PolarHBondContact O-N 3.05Å
418	F	28.4	Very low	32.2	Very low	80 Å²	80	67.6 Å²	67.6	35%	0.351	35%	0.346	S	S	.	.	H	α-helix	trans	-65.3	-25.1	176.7	-72.5	-59.8	0	0	0	113.6	I216 W220 I414 S415	I216-F418 HydrophobicContact CD1-CE2 4.45Å; I216-F418 HydrophobicContact CD1-CZ 3.76Å; I216-F418 HydrophobicContact CG1-CZ 4.49Å; W220-F418 HydrophobicContact CB-CE1 4.14Å; W220-F418 AromaticContact CD1-CE1 3.63Å; W220-F418 HydrophobicContact CD2-CE1 4.2Å; W220-F418 AromaticContact CG-CE1 3.74Å; W220-F418 HydrophobicContact CG-CE1 3.74Å; W220-F418 AromaticContact NE1-CE1 3.95Å; I414-F418 HydrophobicContact CG2-CD2 3.83Å; I414-F418 HydrophobicContact CG2-CE2 3.25Å; I414-F418 HydrophobicContact CG2-CZ 3.99Å; I414-F418 VanDerWaalsContact O-CD2 3.25Å; I414-F418 WeakPolarHBondContact O-CD2 3.24Å; I414-F418 PolarHBondContact O-N 3.31Å; S415-F418 PolarHBondContact O-N 2.82Å
419	N	27.8	Very low	31	Very low	136 Å²	136	70.5 Å²	70.5	73%	0.727	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.7	-176.4	-71.9	-27.7	0	0	0	114.4	S415 H416 Y417	S415-N419 PolarHBondContact O-ND2 2.93Å; H416-N419 PolarHBondContact O-N 3.23Å; Y417-N419 PolarHBondContact O-N 3.05Å
420	H	27.1	Very low	29.8	Very low	136 Å²	136	71.9 Å²	71.9	63%	0.63	37%	0.369	S	S	*	.			trans	-111.8	10.1	-175.1	-77.7	-67.5	0	0	0	114.5	H416	H416-H420 AromaticContact CD2-NE2 3.92Å; H416-H420 AromaticContact CE1-CD2 3.21Å; H416-H420 PolarHBondContact CE1-CD2 2.94Å; H416-H420 AromaticContact CE1-NE2 3.17Å; H416-H420 PolarHBondContact CE1-NE2 3.27Å; H416-H420 AromaticContact ND1-CD2 3.49Å; H416-H420 PolarHBondContact ND1-CD2 2.74Å; H416-H420 AromaticContact ND1-NE2 3.89Å; H416-H420 AromaticContact NE2-CD2 3.59Å; H416-H420 AromaticContact NE2-NE2 3.16Å; H416-H420 PolarHBondContact NE2-NE2 3.1Å; H416-H420 VanDerWaalsContact NE2-NE2 3.16Å; H416-H420 PolarHBondContact O-CD2 2.9Å; H416-H420 VanDerWaalsContact O-CD2 3.23Å
421	V	32.4	Very low	28.8	Very low	134 Å²	134	78.5 Å²	78.5	81%	0.812	40%	0.403	S	S	*	.			trans	-129.3	0	174.4	-172.6	0	0	0	0	109.1

Retrieved 421 of 421 residues in 238.2 ms (Link to these results)

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