A0A096MNB1_PAPAN Loading...

Leucine rich repeat transmembrane neuronal 1

AlphaFold DB (A0A2J8L5D2), UniProt , Accession A0A096MNB1, Species PAPAN (Papio anubis, Olive baboon), Gene LRRTM1, Length 522 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	47.6	Very low	191 Å²	191	130.9 Å²	130.9	94%	0.941	67%	0.674	S	S	*	*				0	40.5	0	-94.3	-70.1	-156.8	0	0	111
2	D	46.4	Very low	47.4	Very low	126 Å²	126	138.3 Å²	138.3	67%	0.674	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-14	-140.1	-39.5	-64.6	0	0	0	114.4	L4	D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 2.94Å
3	F	43.3	Very low	47.2	Very low	195 Å²	195	136.3 Å²	136.3	86%	0.855	68%	0.679	S	S	*	*	H	α-helix	trans	-71.3	-21.4	175.7	-75.1	-81.6	0	0	0	113.8
4	L	46	Very low	47.2	Very low	122 Å²	122	138.1 Å²	138.1	64%	0.639	69%	0.692	S	S	*	*	H	α-helix	trans	-73.4	-27.9	177.7	-87.3	160.8	0	0	0	113.3	D2 L8	D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 2.94Å; L4-L8 PolarHBondContact O-N 3.48Å
5	L	47.9	Very low	47.4	Very low	129 Å²	129	144.1 Å²	144.1	68%	0.675	70%	0.703	S	S	*	*	H	α-helix	trans	-70.3	-39.4	178.5	-102.4	74.4	0	0	0	112.5	L8 C9	L5-L8 PolarHBondContact O-N 3.35Å; L5-C9 WeakPolarHBondContact O-CB 3.29Å; L5-C9 PolarHBondContact O-N 3.42Å; L5-C9 VanDerWaalsContact O-N 3.08Å
6	L	51.2	Low	47.2	Very low	118 Å²	118	148.6 Å²	148.6	62%	0.618	71%	0.71	S	S	*	*	H	α-helix	trans	-62.7	-44.2	178.3	-91.1	82.4	0	0	0	111.6	L8 C9 L10	L6-L8 PolarHBondContact O-N 3.02Å; L6-C9 PolarHBondContact O-N 3.29Å; L6-L10 VanDerWaalsContact O-CD1 3.29Å; L6-L10 WeakPolarHBondContact O-CD1 3Å; L6-L10 PolarHBondContact O-N 3.46Å; L6-L10 VanDerWaalsContact O-N 3.08Å
7	G	45.3	Very low	47.4	Very low	46 Å²	46	145.9 Å²	145.9	47%	0.474	71%	0.707	S	S	.	*	H	α-helix	trans	-59.6	-44.6	179.8	0	0	0	0	0	112.9	Y11	G7-Y11 PolarHBondContact O-N 3.4Å
8	L	48.3	Very low	47.5	Very low	114 Å²	114	143.8 Å²	143.8	60%	0.597	71%	0.71	S	S	*	*	H	α-helix	trans	-66.6	-35.4	176.6	-73.4	166.9	0	0	0	112.6	L4 L5 L6 Y11 W12	L4-L8 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.35Å; L6-L8 PolarHBondContact O-N 3.02Å; L8-Y11 PolarHBondContact O-N 3.47Å; L8-W12 PolarHBondContact O-N 3.4Å
9	C	47.7	Very low	47.8	Very low	76 Å²	76	139.3 Å²	139.3	51%	0.514	70%	0.704	S	S	.	*	H	α-helix	trans	-66.9	-44.2	178.5	-164.9	0	0	0	0	112.2	L5 L6 Y11 W12 L13	L5-C9 WeakPolarHBondContact O-CB 3.29Å; L5-C9 PolarHBondContact O-N 3.42Å; L5-C9 VanDerWaalsContact O-N 3.08Å; L6-C9 PolarHBondContact O-N 3.29Å; C9-Y11 VanDerWaalsContact C-N 3.33Å; C9-Y11 PolarHBondContact O-N 3.17Å; C9-W12 PolarHBondContact O-N 3.22Å; C9-L13 PolarHBondContact O-N 3.42Å
10	L	50	Low	48	Very low	121 Å²	121	137 Å²	137	63%	0.634	70%	0.697	S	S	*	*	H	α-helix	trans	-62.5	-38.3	174.1	-88.3	96.2	0	0	0	112.4	L6 W12 L13	L6-L10 VanDerWaalsContact O-CD1 3.29Å; L6-L10 WeakPolarHBondContact O-CD1 3Å; L6-L10 PolarHBondContact O-N 3.46Å; L6-L10 VanDerWaalsContact O-N 3.08Å; L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.36Å
11	Y	48.1	Very low	48.3	Very low	202 Å²	202	134 Å²	134	79%	0.792	69%	0.685	S	S	*	*	H	α-helix	trans	-66.9	-29.2	-179.4	-142.7	-89.4	0	0	0	113	G7 L8 C9	G7-Y11 PolarHBondContact O-N 3.4Å; L8-Y11 PolarHBondContact O-N 3.47Å; C9-Y11 VanDerWaalsContact C-N 3.33Å; C9-Y11 PolarHBondContact O-N 3.17Å
12	W	45.3	Very low	48.4	Very low	219 Å²	219	131.4 Å²	131.4	83%	0.83	68%	0.675	S	S	*	*	H	α-helix	trans	-76.2	-29.8	174.3	-93.7	81.8	0	0	0	113.9	L8 C9 L10 L14	L8-W12 PolarHBondContact O-N 3.4Å; C9-W12 PolarHBondContact O-N 3.22Å; L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 PolarHBondContact O-N 3.08Å; W12-L14 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 3.34Å
13	L	44.5	Very low	48.6	Very low	113 Å²	113	129.9 Å²	129.9	59%	0.592	67%	0.673	S	S	*	*	H	α-helix	trans	-70.8	-22.3	-178.7	-91.3	157.9	0	0	0	113.9	C9 L10 R15	C9-L13 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3.36Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.37Å
14	L	47.6	Very low	48.8	Very low	162 Å²	162	126 Å²	126	85%	0.848	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	0.7	-172.5	-131	77	0	0	0	115.5	W12	W12-L14 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 3.34Å
15	R	49.3	Very low	48.9	Very low	227 Å²	227	125.4 Å²	125.4	86%	0.857	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	26.6	-164.7	-147.1	-178.3	-178.6	-176.1	0.9	116.3	L13	L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.37Å
16	R	45.4	Very low	48.9	Very low	217 Å²	217	121.3 Å²	121.3	82%	0.819	65%	0.646	S	S	*	*	S	Bend	trans	-137.5	153.6	171.3	-82.2	-165.5	173.2	-164.3	-2.2	112.7
17	P	49	Very low	48.7	Very low	102 Å²	102	118.4 Å²	118.4	66%	0.662	64%	0.639	S	S	*	*			trans	-67.9	157.1	-170.5	26.7	-35.5	0	0	0	113.7	G19	P17-G19 PolarHBondContact O-N 3.25Å
18	S	50.4	Low	48.6	Very low	109 Å²	109	120.4 Å²	120.4	76%	0.762	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-4.1	-163.9	36.5	0	0	0	0	117.3
19	G	53	Low	48.3	Very low	57 Å²	57	122.8 Å²	122.8	59%	0.588	65%	0.65	S	S	*	*	H	α-helix	trans	-73.6	-30.6	-179.9	0	0	0	0	0	115.3	P17	P17-G19 PolarHBondContact O-N 3.25Å
20	V	52.5	Low	48	Very low	93 Å²	93	127.3 Å²	127.3	56%	0.564	66%	0.664	S	S	*	*	H	α-helix	trans	-83.5	-27.5	-170.5	-174.6	0	0	0	0	113	L22 C23	V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 3.24Å; V20-C23 PolarHBondContact O-N 3.46Å
21	V	52.8	Low	47.5	Very low	76 Å²	76	129.8 Å²	129.8	46%	0.461	67%	0.674	S	S	.	*	H	α-helix	trans	-65.3	-35.8	-176	-178.4	0	0	0	0	111.9	C23 L25	V21-C23 PolarHBondContact O-N 3.44Å; V21-L25 HydrophobicContact CG1-CD1 4.22Å; V21-L25 PolarHBondContact O-N 3.41Å
22	L	52.4	Low	47.2	Very low	136 Å²	136	125.5 Å²	125.5	71%	0.712	66%	0.664	S	S	*	*	H	α-helix	trans	-63.1	-41.1	178.7	-114.5	71.4	0	0	0	112.7	V20 L24 L25 G26	V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 3.24Å; L22-L24 PolarHBondContact O-N 3.31Å; L22-L25 PolarHBondContact O-N 3.41Å; L22-G26 PolarHBondContact O-N 2.03Å
23	C	51	Low	47.1	Very low	94 Å²	94	120.8 Å²	120.8	64%	0.635	66%	0.662	S	S	*	*	H	α-helix	trans	-66.3	-37.2	-177.5	-66	0	0	0	0	112.8	V20 V21 G26 A27	V20-C23 PolarHBondContact O-N 3.46Å; V21-C23 PolarHBondContact O-N 3.44Å; C23-G26 PolarHBondContact O-N 3.48Å; C23-A27 PolarHBondContact O-N 3.33Å
24	L	46.7	Very low	47	Very low	112 Å²	112	120.2 Å²	120.2	59%	0.586	67%	0.674	S	S	*	*	H	α-helix	trans	-72.4	-33.7	179.2	-68.3	171.5	0	0	0	112.5	L22 C28	L22-L24 PolarHBondContact O-N 3.31Å; L24-C28 PolarHBondContact O-N 3.32Å; L24-C28 PolarHBondContact O-SG 3.38Å
25	L	48.8	Very low	46.7	Very low	111 Å²	111	116.6 Å²	116.6	58%	0.581	67%	0.667	S	S	*	*	H	α-helix	trans	-68.2	-40.1	171.7	-70.1	170.3	0	0	0	111.7	V21 L22 A27 C28	V21-L25 HydrophobicContact CG1-CD1 4.22Å; V21-L25 PolarHBondContact O-N 3.41Å; L22-L25 PolarHBondContact O-N 3.41Å; L25-A27 PolarHBondContact O-N 2.84Å; L25-C28 PolarHBondContact O-N 3.45Å
26	G	46.8	Very low	46.8	Very low	42 Å²	42	110.9 Å²	110.9	43%	0.433	66%	0.66	S	S	.	*	H	α-helix	trans	-61	-41.7	174.2	0	0	0	0	0	113.3	L22 C23 C28 F29	L22-G26 PolarHBondContact O-N 2.03Å; C23-G26 PolarHBondContact O-N 3.48Å; G26-C28 PolarHBondContact O-N 3.48Å; G26-F29 PolarHBondContact O-N 3.2Å
27	A	47.4	Very low	47.5	Very low	58 Å²	58	103 Å²	103	48%	0.479	64%	0.638	S	S	.	*	H	α-helix	trans	-64.9	-37.1	178.5	0	0	0	0	0	113.3	C23 L25 F29 Q30	C23-A27 PolarHBondContact O-N 3.33Å; L25-A27 PolarHBondContact O-N 2.84Å; A27-F29 VanDerWaalsContact C-N 3.32Å; A27-F29 PolarHBondContact O-N 3.48Å; A27-Q30 PolarHBondContact O-N 3.4Å
28	C	42.8	Very low	48.5	Very low	87 Å²	87	101.5 Å²	101.5	59%	0.588	64%	0.64	S	S	*	*	H	α-helix	trans	-66.1	-31.9	178.7	-71.5	0	0	0	0	113.1	L24 L25 G26 Q30 M31	L24-C28 PolarHBondContact O-N 3.32Å; L24-C28 PolarHBondContact O-SG 3.38Å; L25-C28 PolarHBondContact O-N 3.45Å; G26-C28 PolarHBondContact O-N 3.48Å; C28-Q30 PolarHBondContact O-N 3.5Å; C28-M31 PolarHBondContact O-N 3.41Å
29	F	42.1	Very low	50.1	Low	164 Å²	164	99 Å²	99	72%	0.719	62%	0.622	S	S	*	*	H	α-helix	trans	-69.3	-19.2	178.8	-97.7	-83.4	0	0	0	114.1	G26 A27 M31 L32	G26-F29 PolarHBondContact O-N 3.2Å; A27-F29 VanDerWaalsContact C-N 3.32Å; A27-F29 PolarHBondContact O-N 3.48Å; F29-M31 VanDerWaalsContact C-N 3.31Å; F29-L32 HydrophobicContact CD1-CD1 4.25Å
30	Q	42	Very low	51.6	Low	172 Å²	172	97.8 Å²	97.8	80%	0.804	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-3	174.6	-66.6	-170.6	-17.8	0	0	113.9	A27 C28	A27-Q30 PolarHBondContact O-N 3.4Å; C28-Q30 PolarHBondContact O-N 3.5Å
31	M	39.7	Very low	52.7	Low	172 Å²	172	101.7 Å²	101.7	85%	0.847	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	9.5	177.6	-78.6	-68.2	-164.9	0	0	114.1	C28 F29	C28-M31 PolarHBondContact O-N 3.41Å; F29-M31 VanDerWaalsContact C-N 3.31Å
32	L	41.3	Very low	54.3	Low	112 Å²	112	105.3 Å²	105.3	59%	0.586	63%	0.632	S	S	*	*	S	Bend	trans	-74.1	134.4	161.2	-78.1	86.4	0	0	0	109	F29 A34	F29-L32 HydrophobicContact CD1-CD1 4.25Å; L32-A34 PolarHBondContact O-N 3.32Å
33	P	44	Very low	56.1	Low	121 Å²	121	99.8 Å²	99.8	79%	0.786	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-59.7	135.8	166.7	27.8	-33.5	0	0	0	108.2	A35	P33-A35 PolarHBondContact O-N 3.05Å; P33-A35 VanDerWaalsContact O-N 3.1Å
34	A	41.3	Very low	58.1	Low	100 Å²	100	103.1 Å²	103.1	83%	0.826	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-46.3	121.8	-176.4	0	0	0	0	0	110.7	L32	L32-A34 PolarHBondContact O-N 3.32Å
35	A	42.9	Very low	60.3	Low	87 Å²	87	100.6 Å²	100.6	72%	0.719	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-53.8	136.4	176.6	0	0	0	0	0	108.5	P33 S37	P33-A35 PolarHBondContact O-N 3.05Å; P33-A35 VanDerWaalsContact O-N 3.1Å; A35-S37 PolarHBondContact O-N 3.43Å
36	P	50.8	Low	62.4	Low	107 Å²	107	99.5 Å²	99.5	70%	0.695	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.2	135.8	-179.5	24.2	-33.6	0	0	0	108.9	G38	P36-G38 PolarHBondContact O-N 2.04Å; P36-G38 VanDerWaalsContact O-N 3.11Å
37	S	60.8	Low	64.4	Low	52 Å²	52	101.2 Å²	101.2	36%	0.364	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-50.4	124.8	173.5	19.5	0	0	0	0	108.1	A35 C39 N63	A35-S37 PolarHBondContact O-N 3.43Å; S37-C39 PolarHBondContact O-N 3Å; S37-N63 PolarHBondContact OG-O 3.02Å
38	G	70	Confident	66.6	Low	69 Å²	69	105.8 Å²	105.8	71%	0.711	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-52	140.4	-165.5	0	0	0	0	0	111.4	P36 P40	P36-G38 PolarHBondContact O-N 2.04Å; P36-G38 VanDerWaalsContact O-N 3.11Å; G38-P40 VanDerWaalsContact O-N 3.14Å
39	C	83.1	Confident	69.1	Low	56 Å²	56	103.9 Å²	103.9	38%	0.378	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-48.7	123.6	-172.9	-167.3	0	0	0	0	110.3	S37 Q41 C43 C45	S37-C39 PolarHBondContact O-N 3Å; C39-Q41 PolarHBondContact O-N 3.31Å; C39-C43 PolarHBondContact SG-O 3.16Å; C39-C45 WeakPolarHBondContact CA-SG 3.45Å; C39-C45 HydrophobicContact CB-CB 3.9Å; C39-C45 WeakPolarHBondContact CB-SG 3.05Å; C39-C45 WeakPolarHBondContact SG-CB 3.5Å; C39-C45 PolarHBondContact SG-N 3.11Å; C39-C45 CovalentContact SG-SG 2.03Å; C39-C45 PolarHBondContact SG-SG 2.93Å
40	P	84.8	Confident	71.6	Confident	33 Å²	33	96.1 Å²	96.1	21%	0.214	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-55.6	138.2	-177.3	-26.2	33.9	0	0	0	110.7	G38 L42 C43 L50 L64	G38-P40 VanDerWaalsContact O-N 3.14Å; P40-L42 PolarHBondContact O-N 3.04Å; P40-C43 HydrophobicContact CB-CB 4.21Å; P40-C43 WeakPolarHBondContact O-CB 3.48Å; P40-C43 PolarHBondContact O-N 3.16Å; P40-L50 HydrophobicContact CG-CD1 4.35Å; P40-L50 HydrophobicContact CG-CD2 4.22Å; P40-L64 HydrophobicContact CG-CD2 4.04Å
41	Q	75.8	Confident	74.2	Confident	174 Å²	174	90.8 Å²	90.8	81%	0.813	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	141.7	177.8	-63.3	-61.9	-27.2	0	0	110	C39 C43	C39-Q41 PolarHBondContact O-N 3.31Å; Q41-C43 PolarHBondContact O-N 3.1Å; Q41-C43 VanDerWaalsContact O-N 3.17Å
42	L	85	Confident	76.8	Confident	152 Å²	152	82.6 Å²	82.6	80%	0.796	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-14.6	-172.2	-54	159	0	0	0	116.3	P40 L55	P40-L42 PolarHBondContact O-N 3.04Å; L42-L55 HydrophobicContact CB-CD1 3.98Å; L42-L55 HydrophobicContact CB-CD2 3.86Å
43	C	91.7	Very high	79.4	Confident	20 Å²	20	80.9 Å²	80.9	14%	0.135	48%	0.48	C	S	.	.			trans	-87.7	154.9	175.6	-58.6	0	0	0	0	113	C39 P40 Q41 L50 Y51 C52	C39-C43 PolarHBondContact SG-O 3.16Å; P40-C43 HydrophobicContact CB-CB 4.21Å; P40-C43 WeakPolarHBondContact O-CB 3.48Å; P40-C43 PolarHBondContact O-N 3.16Å; Q41-C43 PolarHBondContact O-N 3.1Å; Q41-C43 VanDerWaalsContact O-N 3.17Å; C43-L50 HydrophobicContact CB-CD1 3.65Å; C43-Y51 WeakPolarHBondContact CA-O 3.3Å; C43-C52 HydrophobicContact CB-CB 4.12Å; C43-C52 WeakPolarHBondContact CB-SG 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.29Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.39Å
44	R	93.3	Very high	81.8	Confident	165 Å²	165	78.5 Å²	78.5	62%	0.623	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.4	174.2	171	179.6	178.5	157.2	-2.8	110.2	E46 Y51	R44-E46 IonicContact CZ-OE1 3.23Å; R44-E46 IonicContact NE-OE1 2.91Å; R44-E46 PolarHBondContact NE-OE1 3.02Å; R44-E46 IonicContact NH2-OE1 3.95Å; R44-E46 PolarHBondContact NH2-OE1 3.4Å; R44-Y51 PolarHBondContact N-O 3.14Å; R44-Y51 PolarHBondContact O-N 3.08Å
45	C	92.6	Very high	84.4	Confident	58 Å²	58	76.2 Å²	76.2	39%	0.392	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.5	176.7	-61.9	0	0	0	0	111.9	C39 L49 L50	C39-C45 WeakPolarHBondContact CA-SG 3.45Å; C39-C45 HydrophobicContact CB-CB 3.9Å; C39-C45 WeakPolarHBondContact CB-SG 3.05Å; C39-C45 WeakPolarHBondContact SG-CB 3.5Å; C39-C45 PolarHBondContact SG-N 3.11Å; C39-C45 CovalentContact SG-SG 2.03Å; C39-C45 PolarHBondContact SG-SG 2.93Å; C45-L49 WeakPolarHBondContact CA-O 3.42Å; C45-L50 WeakPolarHBondContact SG-CD1 3.04Å
46	E	92.8	Very high	86.8	Confident	88 Å²	88	78 Å²	78	41%	0.411	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	87.4	173.9	-65.9	-170.8	-175.9	0	0	109.8	R44 R48 L49 Y51	R44-E46 IonicContact CZ-OE1 3.23Å; R44-E46 IonicContact NE-OE1 2.91Å; R44-E46 PolarHBondContact NE-OE1 3.02Å; R44-E46 IonicContact NH2-OE1 3.95Å; R44-E46 PolarHBondContact NH2-OE1 3.4Å; E46-R48 PolarHBondContact O-N 2.76Å; E46-L49 HydrophobicContact CB-CB 4.4Å; E46-L49 PolarHBondContact N-O 3.32Å; E46-L49 PolarHBondContact O-N 2.7Å; E46-Y51 HydrophobicContact CB-CE2 4.42Å; E46-Y51 HydrophobicContact CG-CE2 4.47Å
47	G	89.3	Confident	88.8	Confident	78 Å²	78	75 Å²	75	80%	0.804	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-85.2	-178.6	0	0	0	0	0	113.3
48	R	92.6	Very high	90.3	Very high	155 Å²	155	77.1 Å²	77.1	59%	0.585	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	15.2	175.3	-62.8	-173.3	-176.8	-172.9	2.6	112.8	E46 L67 L68 G69	E46-R48 PolarHBondContact O-N 2.76Å; R48-L67 CarbonylContact O-C 3.59Å; R48-L67 WeakPolarHBondContact O-CA 3.44Å; R48-L68 HydrophobicContact CB-CB 4.22Å; R48-L68 HydrophobicContact CB-CD1 4.08Å; R48-L68 HydrophobicContact CB-CG 3.88Å; R48-L68 PolarHBondContact O-N 3.44Å; R48-G69 PolarHBondContact O-N 3.48Å
49	L	95.3	Very high	91.3	Very high	46 Å²	46	78.6 Å²	78.6	24%	0.241	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.1	174.7	-48.7	-179.3	0	0	0	108	C45 E46 Y51 L68 W93	C45-L49 WeakPolarHBondContact CA-O 3.42Å; E46-L49 HydrophobicContact CB-CB 4.4Å; E46-L49 PolarHBondContact N-O 3.32Å; E46-L49 PolarHBondContact O-N 2.7Å; L49-Y51 HydrophobicContact CB-CE2 3.68Å; L49-L68 HydrophobicContact CD2-CB 4.07Å; L49-W93 HydrophobicContact CB-CZ2 4.19Å; L49-W93 HydrophobicContact CD1-CZ2 4.34Å; L49-W93 HydrophobicContact CD2-CZ2 3.9Å; L49-W93 HydrophobicContact CG-CZ2 4.36Å
50	L	95.3	Very high	91.5	Very high	1 Å²	1	76.6 Å²	76.6	1%	0.005	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.3	178.7	178.5	61.2	0	0	0	110.1	P40 C43 C45 L64 L67 G69 L70 S71	P40-L50 HydrophobicContact CG-CD1 4.35Å; P40-L50 HydrophobicContact CG-CD2 4.22Å; C43-L50 HydrophobicContact CB-CD1 3.65Å; C45-L50 WeakPolarHBondContact SG-CD1 3.04Å; L50-L64 HydrophobicContact CD2-CD1 3.45Å; L50-L64 VanDerWaalsContact CD2-CD1 3.45Å; L50-L64 HydrophobicContact CD2-CD2 3.82Å; L50-L64 HydrophobicContact CD2-CG 4.3Å; L50-L67 HydrophobicContact CB-CD1 3.8Å; L50-L67 HydrophobicContact CB-CD2 4.23Å; L50-L67 HydrophobicContact CD2-CD1 3.89Å; L50-G69 PolarHBondContact N-O 3.2Å; L50-L70 HydrophobicContact CB-CD1 4.11Å; L50-L70 HydrophobicContact CD2-CD1 3.86Å; L50-L70 HydrophobicContact CG-CD1 4.01Å; L50-L70 WeakPolarHBondContact O-CA 3.24Å; L50-S71 PolarHBondContact O-N 2.88Å
51	Y	96.3	Very high	91.5	Very high	60 Å²	60	76.6 Å²	76.6	24%	0.235	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	106	178.3	-59.1	-90.6	0	0	0	109.2	C43 R44 E46 L49 W93	C43-Y51 WeakPolarHBondContact CA-O 3.3Å; R44-Y51 PolarHBondContact N-O 3.14Å; R44-Y51 PolarHBondContact O-N 3.08Å; E46-Y51 HydrophobicContact CB-CE2 4.42Å; E46-Y51 HydrophobicContact CG-CE2 4.47Å; L49-Y51 HydrophobicContact CB-CE2 3.68Å; Y51-W93 HydrophobicContact CD1-CH2 4.3Å; Y51-W93 AromaticContact CE1-CH2 3.61Å; Y51-W93 HydrophobicContact CE1-CH2 3.61Å; Y51-W93 HydrophobicContact CE1-CZ2 4.25Å; Y51-W93 AromaticContact CZ-CH2 3.78Å
52	C	94.9	Very high	91.8	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.405	C	S	.	.			trans	-117.3	65.4	178	-68.3	0	0	0	0	108.3	C43 L55 L57 S71 L72 N75	C43-C52 HydrophobicContact CB-CB 4.12Å; C43-C52 WeakPolarHBondContact CB-SG 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.29Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.39Å; C52-L55 HydrophobicContact CB-CD1 4.1Å; C52-L57 HydrophobicContact CB-CD1 3.91Å; C52-S71 PolarHBondContact N-O 2.88Å; C52-L72 HydrophobicContact CB-CD2 3.68Å; C52-N75 PolarHBondContact O-ND2 2.67Å
53	E	95.4	Very high	91.5	Very high	76 Å²	76	75.7 Å²	75.7	36%	0.355	40%	0.403	S	S	.	.			trans	-104.7	141.9	-169.7	-54.7	-175.9	170.9	0	0	111.5	L55 S71 R73	E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.84Å; E53-S71 WeakPolarHBondContact OE1-CB 3.45Å; E53-S71 PolarHBondContact OE1-OG 2.8Å; E53-R73 VanDerWaalsContact CA-O 3.28Å; E53-R73 WeakPolarHBondContact CA-O 3.25Å; E53-R73 HydrophobicContact CB-CB 4.41Å; E53-R73 HydrophobicContact CG-CB 4.06Å
54	A	94.8	Very high	91.2	Very high	72 Å²	72	75.7 Å²	75.7	60%	0.595	40%	0.401	S	S	*	.	S	Bend	trans	58.7	37.5	179.3	0	0	0	0	0	114.9	R73 Y74	A54-R73 PolarHBondContact N-O 2.86Å; A54-Y74 VanDerWaalsContact CA-O 3.29Å; A54-Y74 WeakPolarHBondContact CA-O 3.49Å
55	L	94.1	Very high	91	Very high	52 Å²	52	71.2 Å²	71.2	27%	0.272	40%	0.395	S	S	.	.	S	Bend	trans	-108.7	7.5	-175.8	-63.1	-175.9	0	0	0	114	L42 C52 E53 L57 N75	L42-L55 HydrophobicContact CB-CD1 3.98Å; L42-L55 HydrophobicContact CB-CD2 3.86Å; C52-L55 HydrophobicContact CB-CD1 4.1Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.84Å; L55-L57 HydrophobicContact CB-CD1 4.24Å; L55-L57 HydrophobicContact CB-CD2 4.45Å; L55-L57 HydrophobicContact CB-CG 3.88Å; L55-L57 HydrophobicContact CD1-CD1 4.42Å; L55-L57 PolarHBondContact O-N 3.02Å; L55-L57 VanDerWaalsContact O-N 3.16Å; L55-N75 WeakPolarHBondContact CA-OD1 3.44Å; L55-N75 PolarHBondContact N-OD1 3.1Å
56	N	94.4	Very high	90.8	Very high	124 Å²	124	70 Å²	70	66%	0.663	39%	0.393	S	S	*	.			trans	51.8	31	-175.1	-63.8	-15.6	0	0	0	114.1	T58 N75	N56-T58 PolarHBondContact O-N 2.79Å; N56-N75 PolarHBondContact N-OD1 3.38Å; N56-N75 VanDerWaalsContact N-OD1 3.1Å
57	L	93.1	Very high	90.8	Very high	45 Å²	45	67 Å²	67	24%	0.236	38%	0.379	C	S	.	.			trans	-65.6	128.3	-179.6	-64.3	172.1	0	0	0	110.9	C52 L55 P61 L72 N75 S76 L77	C52-L57 HydrophobicContact CB-CD1 3.91Å; L55-L57 HydrophobicContact CB-CD1 4.24Å; L55-L57 HydrophobicContact CB-CD2 4.45Å; L55-L57 HydrophobicContact CB-CG 3.88Å; L55-L57 HydrophobicContact CD1-CD1 4.42Å; L55-L57 PolarHBondContact O-N 3.02Å; L55-L57 VanDerWaalsContact O-N 3.16Å; L57-P61 HydrophobicContact CD1-CG 4.42Å; L57-L72 HydrophobicContact CD1-CD2 3.73Å; L57-N75 HydrophobicContact CB-CB 4.16Å; L57-N75 PolarHBondContact N-OD1 2.9Å; L57-S76 CarbonylContact O-C 3.21Å; L57-S76 WeakPolarHBondContact O-CA 3.28Å; L57-S76 PolarHBondContact O-N 3.21Å; L57-L77 PolarHBondContact O-N 3.32Å; L57-L77 VanDerWaalsContact O-N 3.14Å
58	T	92.8	Very high	91.1	Very high	96 Å²	96	65.8 Å²	65.8	59%	0.589	35%	0.354	S	S	*	.	S	Bend	trans	-91.1	-23.1	175.6	51	0	0	0	0	113.1	N56	N56-T58 PolarHBondContact O-N 2.79Å
59	E	89.7	Confident	91.3	Very high	100 Å²	100	58.4 Å²	58.4	47%	0.467	33%	0.326	S	S	.	.	S	Bend	trans	-133.3	156.5	173.7	-58.4	-164.3	166	0	0	110.8	L77 R81	E59-L77 VanDerWaalsContact C-CD2 3.43Å; E59-R81 IonicContact OE1-CZ 2.81Å; E59-R81 IonicContact OE1-NH1 3.74Å; E59-R81 PolarHBondContact OE1-NH1 2.88Å; E59-R81 IonicContact OE1-NH2 3.2Å; E59-R81 PolarHBondContact OE1-NH2 2.93Å; E59-R81 IonicContact OE2-NH1 2.76Å
60	A	88.1	Confident	91.3	Very high	14 Å²	14	56.3 Å²	56.3	12%	0.116	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-74.4	144.7	177.3	0	0	0	0	0	111.3	H62 L72 Q84 F85	A60-H62 PolarHBondContact O-N 3.23Å; A60-L72 HydrophobicContact CB-CD1 3.76Å; A60-Q84 HydrophobicContact CB-CG 4.23Å; A60-Q84 VanDerWaalsContact CB-NE2 3.32Å; A60-F85 HydrophobicContact CB-CE1 3.96Å
61	P	84.9	Confident	91.5	Very high	32 Å²	32	56.3 Å²	56.3	21%	0.208	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-61.4	129.4	-179.8	-20.2	30.5	0	0	0	112.3	L57 L64 L72	L57-P61 HydrophobicContact CD1-CG 4.42Å; P61-L64 HydrophobicContact CB-CD1 3.97Å; P61-L64 HydrophobicContact CB-CG 4.36Å; P61-L64 WeakPolarHBondContact O-CD1 3.45Å; P61-L72 HydrophobicContact CG-CD2 4.37Å
62	H	82.3	Confident	91.5	Very high	169 Å²	169	53.4 Å²	53.4	78%	0.782	30%	0.304	S	S	*	.	S	Bend	trans	-84.7	169.2	-178.7	52.1	-103.1	0	0	0	112.5	A60 L64	A60-H62 PolarHBondContact O-N 3.23Å; H62-L64 PolarHBondContact O-N 3.32Å; H62-L64 VanDerWaalsContact O-N 3.16Å
63	N	79.1	Confident	91.6	Very high	138 Å²	138	56.5 Å²	56.5	74%	0.738	32%	0.316	S	S	*	.	S	Bend	trans	57	25.9	178.8	-154.9	22.4	0	0	0	115.5	S37	S37-N63 PolarHBondContact OG-O 3.02Å
64	L	85.4	Confident	91.7	Very high	20 Å²	20	59 Å²	59	11%	0.105	32%	0.323	C	S	.	.			trans	-83.9	136.4	170	-63.9	178.2	0	0	0	110.7	P40 L50 P61 H62 L67 L88	P40-L64 HydrophobicContact CG-CD2 4.04Å; L50-L64 HydrophobicContact CD2-CD1 3.45Å; L50-L64 VanDerWaalsContact CD2-CD1 3.45Å; L50-L64 HydrophobicContact CD2-CD2 3.82Å; L50-L64 HydrophobicContact CD2-CG 4.3Å; P61-L64 HydrophobicContact CB-CD1 3.97Å; P61-L64 HydrophobicContact CB-CG 4.36Å; P61-L64 WeakPolarHBondContact O-CD1 3.45Å; H62-L64 PolarHBondContact O-N 3.32Å; H62-L64 VanDerWaalsContact O-N 3.16Å; L64-L67 HydrophobicContact CB-CD1 4.18Å; L64-L67 HydrophobicContact CD1-CD1 4Å; L64-L67 HydrophobicContact CD2-CD1 4.44Å; L64-L67 HydrophobicContact CG-CD1 4.46Å; L64-L88 HydrophobicContact CB-CD2 3.71Å
65	S	88.4	Confident	91.8	Very high	72 Å²	72	55.8 Å²	55.8	50%	0.503	30%	0.296	S	S	.	.			trans	-145.4	163.1	175.4	71	0	0	0	0	111.6	L67	S65-L67 PolarHBondContact O-N 3.12Å
66	G	87.6	Confident	92	Very high	33 Å²	33	55.1 Å²	55.1	34%	0.34	30%	0.295	S	S	.	.	S	Bend	trans	70.1	-7.8	173.3	0	0	0	0	0	117.2
67	L	92.9	Very high	92.1	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.12	26%	0.263	C	S	.	.			trans	-59.9	144.6	179.1	-61.1	179.6	0	0	0	112.7	R48 L50 L64 S65 L88 Q90 L91	R48-L67 CarbonylContact O-C 3.59Å; R48-L67 WeakPolarHBondContact O-CA 3.44Å; L50-L67 HydrophobicContact CB-CD1 3.8Å; L50-L67 HydrophobicContact CB-CD2 4.23Å; L50-L67 HydrophobicContact CD2-CD1 3.89Å; L64-L67 HydrophobicContact CB-CD1 4.18Å; L64-L67 HydrophobicContact CD1-CD1 4Å; L64-L67 HydrophobicContact CD2-CD1 4.44Å; L64-L67 HydrophobicContact CG-CD1 4.46Å; S65-L67 PolarHBondContact O-N 3.12Å; L67-L88 HydrophobicContact CB-CD2 4.29Å; L67-L88 HydrophobicContact CD1-CD2 3.98Å; L67-L88 HydrophobicContact CG-CD2 4.33Å; L67-Q90 CarbonylContact O-C 3.53Å; L67-Q90 VanDerWaalsContact O-C 3.24Å; L67-L91 HydrophobicContact CB-CD1 4.29Å; L67-L91 WeakPolarHBondContact O-CA 3.29Å; L67-L91 PolarHBondContact O-N 2.7Å
68	L	96	Very high	92.2	Very high	54 Å²	54	49.9 Å²	49.9	28%	0.283	27%	0.272	S	S	.	.	S	Bend	trans	-99.5	-19	173	-64.4	177.8	0	0	0	112.5	R48 L49 Q90 T92	R48-L68 HydrophobicContact CB-CB 4.22Å; R48-L68 HydrophobicContact CB-CD1 4.08Å; R48-L68 HydrophobicContact CB-CG 3.88Å; R48-L68 PolarHBondContact O-N 3.44Å; L49-L68 HydrophobicContact CD2-CB 4.07Å; L68-Q90 HydrophobicContact CD2-CB 4.27Å; L68-T92 HydrophobicContact CD2-CG2 4.49Å; L68-T92 WeakPolarHBondContact O-CB 3.11Å; L68-T92 PolarHBondContact O-N 2.96Å; L68-T92 PolarHBondContact O-OG1 3.32Å
69	G	96.6	Very high	92.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	145.3	179.2	0	0	0	0	0	112.1	R48 L50 W93	R48-G69 PolarHBondContact O-N 3.48Å; L50-G69 PolarHBondContact N-O 3.2Å; G69-W93 VanDerWaalsContact CA-CE2 3.41Å
70	L	96.5	Very high	92.7	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	121.1	-179.1	174.5	58.4	0	0	0	109.7	L50 L72 F85 L88 L91 W93 L94 Y95	L50-L70 HydrophobicContact CB-CD1 4.11Å; L50-L70 HydrophobicContact CD2-CD1 3.86Å; L50-L70 HydrophobicContact CG-CD1 4.01Å; L50-L70 WeakPolarHBondContact O-CA 3.24Å; L70-L72 HydrophobicContact CD1-CD1 4.22Å; L70-L72 HydrophobicContact CD1-CG 4.03Å; L70-L72 HydrophobicContact CD2-CD1 3.9Å; L70-L72 HydrophobicContact CG-CD1 4.06Å; L70-L72 HydrophobicContact CG-CG 4.2Å; L70-F85 HydrophobicContact CD2-CD1 4.4Å; L70-F85 HydrophobicContact CD2-CE1 4.3Å; L70-L88 HydrophobicContact CD2-CD1 3.5Å; L70-L88 VanDerWaalsContact CD2-CD1 3.5Å; L70-L91 HydrophobicContact CB-CD1 3.82Å; L70-L91 HydrophobicContact CB-CD2 4.49Å; L70-W93 PolarHBondContact N-O 3.35Å; L70-W93 WeakPolarHBondContact O-CZ3 3.32Å; L70-L94 HydrophobicContact CB-CD1 4.09Å; L70-L94 HydrophobicContact CD2-CD1 3.96Å; L70-L94 HydrophobicContact CG-CD1 4.04Å; L70-Y95 PolarHBondContact O-N 3.09Å
71	S	97.4	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.9	172	-157.5	0	0	0	0	110.4	L50 C52 E53 R73	L50-S71 PolarHBondContact O-N 2.88Å; C52-S71 PolarHBondContact N-O 2.88Å; E53-S71 WeakPolarHBondContact OE1-CB 3.45Å; E53-S71 PolarHBondContact OE1-OG 2.8Å; S71-R73 WeakPolarHBondContact OG-CG 3.41Å
72	L	96.6	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.			trans	-127.9	34	176.8	-74.3	164.1	0	0	0	110.3	C52 L57 A60 P61 L70 N75 L77 F85 Y95 L96 N99	C52-L72 HydrophobicContact CB-CD2 3.68Å; L57-L72 HydrophobicContact CD1-CD2 3.73Å; A60-L72 HydrophobicContact CB-CD1 3.76Å; P61-L72 HydrophobicContact CG-CD2 4.37Å; L70-L72 HydrophobicContact CD1-CD1 4.22Å; L70-L72 HydrophobicContact CD1-CG 4.03Å; L70-L72 HydrophobicContact CD2-CD1 3.9Å; L70-L72 HydrophobicContact CG-CD1 4.06Å; L70-L72 HydrophobicContact CG-CG 4.2Å; L72-N75 PolarHBondContact O-ND2 3.41Å; L72-L77 HydrophobicContact CB-CD1 4.12Å; L72-L77 HydrophobicContact CD1-CD1 4.37Å; L72-F85 HydrophobicContact CD1-CE1 4.47Å; L72-Y95 PolarHBondContact N-O 2.99Å; L72-L96 HydrophobicContact CB-CD2 4Å; L72-L96 HydrophobicContact CD1-CD2 4.01Å; L72-N99 PolarHBondContact O-ND2 2.93Å
73	R	97.5	Very high	93.3	Very high	65 Å²	65	41.7 Å²	41.7	25%	0.245	23%	0.234	C	C	.	.			trans	-66.1	153.1	-177.5	-65.5	177.6	150.3	147.7	7.5	113.6	E53 A54 S71 N75 Y95 D97	E53-R73 VanDerWaalsContact CA-O 3.28Å; E53-R73 WeakPolarHBondContact CA-O 3.25Å; E53-R73 HydrophobicContact CB-CB 4.41Å; E53-R73 HydrophobicContact CG-CB 4.06Å; A54-R73 PolarHBondContact N-O 2.86Å; S71-R73 WeakPolarHBondContact OG-CG 3.41Å; R73-N75 VanDerWaalsContact C-N 3.27Å; R73-N75 PolarHBondContact O-N 3.37Å; R73-N75 PolarHBondContact O-ND2 3.27Å; R73-Y95 VanDerWaalsContact CZ-CD2 3.43Å; R73-D97 WeakPolarHBondContact CA-O 3.2Å; R73-D97 IonicContact CZ-OD1 2.68Å; R73-D97 VanDerWaalsContact CZ-OD1 3.3Å; R73-D97 VanDerWaalsContact NE-CG 3.3Å; R73-D97 IonicContact NE-OD1 2.76Å; R73-D97 PolarHBondContact NE-OD1 2.87Å; R73-D97 IonicContact NE-OD2 3.46Å; R73-D97 PolarHBondContact NE-OD2 3Å; R73-D97 VanDerWaalsContact NE-OD2 3.13Å; R73-D97 IonicContact NH2-OD1 3.62Å; R73-D97 PolarHBondContact NH2-OD1 2.99Å
74	Y	97.4	Very high	93.8	Very high	129 Å²	129	37.9 Å²	37.9	51%	0.506	21%	0.212	S	C	.	.	S	Bend	trans	55.6	41.5	174.3	-58.7	-81.1	0	0	0	112.7	A54 D97 H98	A54-Y74 VanDerWaalsContact CA-O 3.29Å; A54-Y74 WeakPolarHBondContact CA-O 3.49Å; Y74-D97 PolarHBondContact N-O 3.38Å; Y74-H98 CarbonylContact C-O 3.37Å; Y74-H98 WeakPolarHBondContact CA-O 3.28Å; Y74-H98 HydrophobicContact CD1-CB 3.48Å; Y74-H98 VanDerWaalsContact CD1-CB 3.48Å; Y74-H98 AromaticContact CD1-CG 3.9Å; Y74-H98 HydrophobicContact CD2-CB 4.46Å; Y74-H98 HydrophobicContact CE1-CB 3.57Å; Y74-H98 AromaticContact CE1-CD2 3.7Å; Y74-H98 AromaticContact CE1-CG 3.4Å; Y74-H98 VanDerWaalsContact CE1-CG 3.4Å; Y74-H98 AromaticContact CE1-ND1 3.93Å; Y74-H98 HydrophobicContact CG-CB 3.96Å; Y74-H98 AromaticContact CZ-CG 3.68Å; Y74-H98 AromaticContact CZ-ND1 3.69Å; Y74-H98 PolarHBondContact N-O 3.28Å; Y74-H98 VanDerWaalsContact N-O 3.12Å
75	N	97	Very high	94.1	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-115.5	-171.6	177.9	-75.8	-60.2	0	0	0	110.5	C52 L55 N56 L57 L72 R73 L77 H98 N99	C52-N75 PolarHBondContact O-ND2 2.67Å; L55-N75 WeakPolarHBondContact CA-OD1 3.44Å; L55-N75 PolarHBondContact N-OD1 3.1Å; N56-N75 PolarHBondContact N-OD1 3.38Å; N56-N75 VanDerWaalsContact N-OD1 3.1Å; L57-N75 HydrophobicContact CB-CB 4.16Å; L57-N75 PolarHBondContact N-OD1 2.9Å; L72-N75 PolarHBondContact O-ND2 3.41Å; R73-N75 VanDerWaalsContact C-N 3.27Å; R73-N75 PolarHBondContact O-N 3.37Å; R73-N75 PolarHBondContact O-ND2 3.27Å; N75-L77 HydrophobicContact CB-CG 4.43Å; N75-H98 PolarHBondContact N-O 3.47Å; N75-N99 WeakPolarHBondContact CA-OD1 3.42Å; N75-N99 VanDerWaalsContact CB-OD1 3.24Å; N75-N99 WeakPolarHBondContact CB-OD1 3.38Å; N75-N99 PolarHBondContact O-OD1 2.86Å
76	S	97.5	Very high	94.1	Very high	37 Å²	37	35.5 Å²	35.5	26%	0.259	20%	0.195	S	C	.	.			trans	-114.7	29	-175.7	-52.8	0	0	0	0	112.1	L57 S78	L57-S76 CarbonylContact O-C 3.21Å; L57-S76 WeakPolarHBondContact O-CA 3.28Å; L57-S76 PolarHBondContact O-N 3.21Å; S76-S78 PolarHBondContact O-N 3.36Å
77	L	96.7	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.			trans	-62.2	127.9	177.2	-57.8	176.8	0	0	0	109.5	L57 E59 L72 N75 L96 N99 H100 I101	L57-L77 PolarHBondContact O-N 3.32Å; L57-L77 VanDerWaalsContact O-N 3.14Å; E59-L77 VanDerWaalsContact C-CD2 3.43Å; L72-L77 HydrophobicContact CB-CD1 4.12Å; L72-L77 HydrophobicContact CD1-CD1 4.37Å; N75-L77 HydrophobicContact CB-CG 4.43Å; L77-L96 HydrophobicContact CD1-CD2 3.7Å; L77-N99 HydrophobicContact CB-CB 4.33Å; L77-N99 VanDerWaalsContact CB-OD1 3.25Å; L77-N99 WeakPolarHBondContact CB-OD1 3.44Å; L77-N99 WeakPolarHBondContact CG-OD1 3.46Å; L77-N99 PolarHBondContact N-OD1 2.94Å; L77-N99 VanDerWaalsContact N-OD1 3.09Å; L77-H100 CarbonylContact O-C 3.59Å; L77-H100 VanDerWaalsContact O-CA 3.28Å; L77-H100 WeakPolarHBondContact O-CA 3.31Å; L77-H100 PolarHBondContact O-N 3.45Å; L77-I101 HydrophobicContact CB-CD1 4.41Å; L77-I101 HydrophobicContact CB-CG1 4.01Å; L77-I101 WeakPolarHBondContact O-CG1 3.34Å; L77-I101 PolarHBondContact O-N 2.86Å
78	S	96.4	Very high	94	Very high	60 Å²	60	34.9 Å²	34.9	42%	0.42	19%	0.193	S	C	.	.			trans	-109.2	-26	-176.4	56.6	0	0	0	0	114.3	S76 I101 C102	S76-S78 PolarHBondContact O-N 3.36Å; S78-I101 WeakPolarHBondContact O-CA 3.29Å; S78-C102 PolarHBondContact O-N 2.9Å; S78-C102 PolarHBondContact O-SG 3.28Å; S78-C102 VanDerWaalsContact O-SG 3.41Å
79	E	95.9	Very high	93.9	Very high	54 Å²	54	36.8 Å²	36.8	25%	0.252	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.3	178.7	177.2	175.4	-134	0	0	110.7	R81 S103 Q105	E79-R81 HydrophobicContact CG-CG 3.94Å; E79-R81 VanDerWaalsContact OE2-CG 3.29Å; E79-R81 WeakPolarHBondContact OE2-CG 3.28Å; E79-R81 IonicContact OE2-NE 3.6Å; E79-R81 PolarHBondContact OE2-NE 3.24Å; E79-S103 WeakPolarHBondContact CA-O 3.38Å; E79-S103 PolarHBondContact OE1-OG 3.05Å; E79-Q105 PolarHBondContact OE1-NE2 2.74Å
80	L	95.5	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	107.1	162.9	-56	-178.7	0	0	0	109.6	F85 L96 I101 S103 V104 Q105 A108 F109 L120	L80-F85 HydrophobicContact CD2-CE2 4.08Å; L80-F85 HydrophobicContact CD2-CZ 4.02Å; L80-L96 HydrophobicContact CD1-CD1 3.82Å; L80-L96 HydrophobicContact CD2-CD1 4.23Å; L80-L96 HydrophobicContact CD2-CD2 4.46Å; L80-I101 HydrophobicContact CD1-CD1 4.19Å; L80-I101 HydrophobicContact CD1-CG2 4.43Å; L80-I101 HydrophobicContact CD2-CD1 3.92Å; L80-I101 HydrophobicContact CD2-CG1 4.48Å; L80-I101 HydrophobicContact CG-CD1 4.05Å; L80-I101 HydrophobicContact CG-CG2 3.99Å; L80-S103 PolarHBondContact N-O 3.43Å; L80-V104 HydrophobicContact CB-CG1 4.37Å; L80-V104 HydrophobicContact CD1-CG1 4.31Å; L80-V104 HydrophobicContact CD1-CG2 4.07Å; L80-V104 HydrophobicContact CG-CG2 4.42Å; L80-Q105 WeakPolarHBondContact O-CB 3.35Å; L80-Q105 PolarHBondContact O-N 2.85Å; L80-A108 HydrophobicContact CB-CB 3.88Å; L80-F109 HydrophobicContact CD1-CE1 3.97Å; L80-F109 HydrophobicContact CD1-CE2 4.49Å; L80-F109 HydrophobicContact CD1-CZ 3.56Å; L80-L120 HydrophobicContact CD1-CD2 3.75Å
81	R	93.3	Very high	93.8	Very high	104 Å²	104	40.3 Å²	40.3	39%	0.392	22%	0.218	S	C	.	.			trans	-83.3	152.3	-176.7	-62.3	-173.6	-166.3	131.8	10.9	112.1	E59 E79 G83 Q84 A108	E59-R81 IonicContact OE1-CZ 2.81Å; E59-R81 IonicContact OE1-NH1 3.74Å; E59-R81 PolarHBondContact OE1-NH1 2.88Å; E59-R81 IonicContact OE1-NH2 3.2Å; E59-R81 PolarHBondContact OE1-NH2 2.93Å; E59-R81 IonicContact OE2-NH1 2.76Å; E79-R81 HydrophobicContact CG-CG 3.94Å; E79-R81 VanDerWaalsContact OE2-CG 3.29Å; E79-R81 WeakPolarHBondContact OE2-CG 3.28Å; E79-R81 IonicContact OE2-NE 3.6Å; E79-R81 PolarHBondContact OE2-NE 3.24Å; R81-G83 PolarHBondContact O-N 3.02Å; R81-Q84 WeakPolarHBondContact O-CB 3.42Å; R81-Q84 PolarHBondContact O-N 2.93Å; R81-A108 WeakPolarHBondContact O-CA 3.45Å
82	A	90.9	Very high	93.9	Very high	54 Å²	54	41.7 Å²	41.7	45%	0.446	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.4	174.4	0	0	0	0	0	111.2	Q84 Q105 D107	A82-Q84 VanDerWaalsContact C-N 3.25Å; A82-Q84 PolarHBondContact O-N 3.43Å; A82-Q105 HydrophobicContact CB-CB 4.46Å; A82-D107 HydrophobicContact CB-CB 4.02Å
83	G	85.3	Confident	93.9	Very high	27 Å²	27	43.1 Å²	43.1	28%	0.278	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-10.9	177.1	0	0	0	0	0	116.7	R81 F85 T86 D107	R81-G83 PolarHBondContact O-N 3.02Å; G83-F85 PolarHBondContact O-N 2.98Å; G83-T86 WeakPolarHBondContact O-CB 3.4Å; G83-T86 WeakPolarHBondContact O-CG2 3.16Å; G83-T86 PolarHBondContact O-N 2.84Å; G83-T86 PolarHBondContact O-OG1 2.52Å; G83-D107 PolarHBondContact N-O 3Å; G83-D107 VanDerWaalsContact N-O 3.13Å
84	Q	88.3	Confident	94	Very high	58 Å²	58	40 Å²	40	27%	0.271	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.2	-172.5	-178.3	170.7	-17.9	0	0	114.6	A60 R81 A82	A60-Q84 HydrophobicContact CB-CG 4.23Å; A60-Q84 VanDerWaalsContact CB-NE2 3.32Å; R81-Q84 WeakPolarHBondContact O-CB 3.42Å; R81-Q84 PolarHBondContact O-N 2.93Å; A82-Q84 VanDerWaalsContact C-N 3.25Å; A82-Q84 PolarHBondContact O-N 3.43Å
85	F	91.8	Very high	94	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	11.2	-179.9	-56.4	-64.2	0	0	0	114.6	A60 L70 L72 L80 G83 G87 L88 L94 L96 A108 F109 L112	A60-F85 HydrophobicContact CB-CE1 3.96Å; L70-F85 HydrophobicContact CD2-CD1 4.4Å; L70-F85 HydrophobicContact CD2-CE1 4.3Å; L72-F85 HydrophobicContact CD1-CE1 4.47Å; L80-F85 HydrophobicContact CD2-CE2 4.08Å; L80-F85 HydrophobicContact CD2-CZ 4.02Å; G83-F85 PolarHBondContact O-N 2.98Å; F85-G87 VanDerWaalsContact C-N 3.29Å; F85-G87 PolarHBondContact O-N 3Å; F85-G87 VanDerWaalsContact O-N 3.16Å; F85-L88 HydrophobicContact CB-CD1 4.24Å; F85-L88 HydrophobicContact CD1-CD1 3.9Å; F85-L88 WeakPolarHBondContact O-CB 3.38Å; F85-L88 PolarHBondContact O-N 2.8Å; F85-L94 HydrophobicContact CD2-CD2 4.28Å; F85-L94 HydrophobicContact CE1-CD1 4.43Å; F85-L94 HydrophobicContact CE2-CD2 4.24Å; F85-L94 HydrophobicContact CG-CD2 4.49Å; F85-L94 HydrophobicContact CZ-CD2 4.4Å; F85-L96 HydrophobicContact CE2-CD1 4.32Å; F85-L96 HydrophobicContact CZ-CD1 4.1Å; F85-L96 HydrophobicContact CZ-CD2 4.17Å; F85-A108 WeakPolarHBondContact CD2-O 3.43Å; F85-F109 HydrophobicContact CD2-CD1 4.05Å; F85-F109 HydrophobicContact CD2-CE1 4.27Å; F85-F109 HydrophobicContact CE2-CD1 4.28Å; F85-F109 HydrophobicContact CE2-CE1 4.04Å; F85-L112 HydrophobicContact CB-CD1 3.93Å; F85-L112 HydrophobicContact CB-CD2 4.06Å; F85-L112 HydrophobicContact CB-CG 4.27Å; F85-L112 HydrophobicContact CG-CD1 4.46Å
86	T	87.8	Confident	94.1	Very high	39 Å²	39	35.4 Å²	35.4	24%	0.239	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22	-168.9	48.8	0	0	0	0	116	G83 L88 M89 Q110 K111	G83-T86 WeakPolarHBondContact O-CB 3.4Å; G83-T86 WeakPolarHBondContact O-CG2 3.16Å; G83-T86 PolarHBondContact O-N 2.84Å; G83-T86 PolarHBondContact O-OG1 2.52Å; T86-L88 VanDerWaalsContact C-N 3.26Å; T86-L88 PolarHBondContact O-N 2.96Å; T86-M89 WeakPolarHBondContact O-CE 3.37Å; T86-M89 WeakPolarHBondContact O-CG 3.45Å; T86-Q110 HydrophobicContact CG2-CB 4.25Å; T86-K111 HydrophobicContact CG2-CD 4.03Å; T86-K111 HydrophobicContact CG2-CG 4.3Å
87	G	86.9	Confident	94.1	Very high	37 Å²	37	34 Å²	34	38%	0.381	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.5	171.6	0	0	0	0	0	113.9	F85 M89	F85-G87 VanDerWaalsContact C-N 3.29Å; F85-G87 PolarHBondContact O-N 3Å; F85-G87 VanDerWaalsContact O-N 3.16Å; G87-M89 VanDerWaalsContact C-N 3.27Å; G87-M89 PolarHBondContact O-N 3.43Å; G87-M89 VanDerWaalsContact O-N 3.12Å
88	L	92.4	Very high	94.2	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.031	21%	0.205	C	C	.	.			trans	-89.8	39.6	-171.5	-52.6	-178.8	0	0	0	112.9	L64 L67 L70 F85 T86 Q90 L91 L112	L64-L88 HydrophobicContact CB-CD2 3.71Å; L67-L88 HydrophobicContact CB-CD2 4.29Å; L67-L88 HydrophobicContact CD1-CD2 3.98Å; L67-L88 HydrophobicContact CG-CD2 4.33Å; L70-L88 HydrophobicContact CD2-CD1 3.5Å; L70-L88 VanDerWaalsContact CD2-CD1 3.5Å; F85-L88 HydrophobicContact CB-CD1 4.24Å; F85-L88 HydrophobicContact CD1-CD1 3.9Å; F85-L88 WeakPolarHBondContact O-CB 3.38Å; F85-L88 PolarHBondContact O-N 2.8Å; T86-L88 VanDerWaalsContact C-N 3.26Å; T86-L88 PolarHBondContact O-N 2.96Å; L88-Q90 PolarHBondContact O-N 3.13Å; L88-L91 HydrophobicContact CB-CB 4.12Å; L88-L91 HydrophobicContact CB-CD2 4.31Å; L88-L91 HydrophobicContact CD1-CD2 4.22Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 2.89Å; L88-L112 HydrophobicContact CB-CD2 3.99Å; L88-L112 WeakPolarHBondContact O-CD2 3.23Å
89	M	93.6	Very high	94.3	Very high	94 Å²	94	34.4 Å²	34.4	46%	0.463	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.9	-174.1	-52.8	-172.2	-156.8	0	0	114.6	T86 G87 K111	T86-M89 WeakPolarHBondContact O-CE 3.37Å; T86-M89 WeakPolarHBondContact O-CG 3.45Å; G87-M89 VanDerWaalsContact C-N 3.27Å; G87-M89 PolarHBondContact O-N 3.43Å; G87-M89 VanDerWaalsContact O-N 3.12Å; M89-K111 HydrophobicContact CE-CD 3.96Å; M89-K111 HydrophobicContact CG-CB 4.27Å
90	Q	95.4	Very high	94.4	Very high	75 Å²	75	36.5 Å²	36.5	35%	0.35	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.3	177.9	-55.7	-55.6	-27.9	0	0	114.2	L67 L68 L88 R114	L67-Q90 CarbonylContact O-C 3.53Å; L67-Q90 VanDerWaalsContact O-C 3.24Å; L68-Q90 HydrophobicContact CD2-CB 4.27Å; L88-Q90 PolarHBondContact O-N 3.13Å; Q90-R114 VanDerWaalsContact OE1-CD 3.3Å; Q90-R114 VanDerWaalsContact OE1-CZ 3.28Å
91	L	96.7	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.			trans	-59.4	139	-172.7	-158.3	73.5	0	0	0	111.9	L67 L70 L88 W93 L94 L112 R114 V115	L67-L91 HydrophobicContact CB-CD1 4.29Å; L67-L91 WeakPolarHBondContact O-CA 3.29Å; L67-L91 PolarHBondContact O-N 2.7Å; L70-L91 HydrophobicContact CB-CD1 3.82Å; L70-L91 HydrophobicContact CB-CD2 4.49Å; L88-L91 HydrophobicContact CB-CB 4.12Å; L88-L91 HydrophobicContact CB-CD2 4.31Å; L88-L91 HydrophobicContact CD1-CD2 4.22Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 2.89Å; L91-W93 WeakPolarHBondContact CG-O 3.38Å; L91-L94 HydrophobicContact CD2-CB 3.84Å; L91-L94 HydrophobicContact CD2-CD1 4.2Å; L91-L94 HydrophobicContact CD2-CD2 4.28Å; L91-L94 HydrophobicContact CD2-CG 4.33Å; L91-L112 HydrophobicContact CB-CD2 4.42Å; L91-L112 HydrophobicContact CD2-CD2 4.35Å; L91-R114 CarbonylContact O-C 3.56Å; L91-R114 VanDerWaalsContact O-CB 3.24Å; L91-R114 WeakPolarHBondContact O-CB 3.08Å; L91-V115 HydrophobicContact CB-CG2 4.02Å; L91-V115 HydrophobicContact CD2-CG2 4.13Å; L91-V115 HydrophobicContact CG-CG2 4.23Å; L91-V115 WeakPolarHBondContact O-CG2 3.33Å; L91-V115 PolarHBondContact O-N 2.84Å; L91-V115 VanDerWaalsContact O-N 3.1Å
92	T	97.9	Very high	94.7	Very high	29 Å²	29	34.7 Å²	34.7	18%	0.178	20%	0.198	C	C	.	.	S	Bend	trans	-118	-25.5	-178.2	67.2	0	0	0	0	113.1	L68 K116 E117	L68-T92 HydrophobicContact CD2-CG2 4.49Å; L68-T92 WeakPolarHBondContact O-CB 3.11Å; L68-T92 PolarHBondContact O-N 2.96Å; L68-T92 PolarHBondContact O-OG1 3.32Å; T92-K116 PolarHBondContact O-N 3.33Å; T92-E117 PolarHBondContact O-N 2.78Å
93	W	98.4	Very high	94.9	Very high	31 Å²	31	34.2 Å²	34.2	12%	0.117	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145	171	55.5	-97.6	0	0	0	110.6	L49 Y51 G69 L70 L91 Y95 E117	L49-W93 HydrophobicContact CB-CZ2 4.19Å; L49-W93 HydrophobicContact CD1-CZ2 4.34Å; L49-W93 HydrophobicContact CD2-CZ2 3.9Å; L49-W93 HydrophobicContact CG-CZ2 4.36Å; Y51-W93 HydrophobicContact CD1-CH2 4.3Å; Y51-W93 AromaticContact CE1-CH2 3.61Å; Y51-W93 HydrophobicContact CE1-CH2 3.61Å; Y51-W93 HydrophobicContact CE1-CZ2 4.25Å; Y51-W93 AromaticContact CZ-CH2 3.78Å; G69-W93 VanDerWaalsContact CA-CE2 3.41Å; L70-W93 PolarHBondContact N-O 3.35Å; L70-W93 WeakPolarHBondContact O-CZ3 3.32Å; L91-W93 WeakPolarHBondContact CG-O 3.38Å; W93-Y95 HydrophobicContact CB-CE1 4.02Å; W93-Y95 HydrophobicContact CD2-CE1 4.34Å; W93-Y95 HydrophobicContact CD2-CE2 4.09Å; W93-Y95 AromaticContact CD2-CZ 3.94Å; W93-Y95 AromaticContact CE3-CD1 3.99Å; W93-Y95 HydrophobicContact CE3-CD1 3.99Å; W93-Y95 AromaticContact CE3-CD2 3.56Å; W93-Y95 HydrophobicContact CE3-CD2 3.56Å; W93-Y95 AromaticContact CE3-CE1 3.89Å; W93-Y95 HydrophobicContact CE3-CE1 3.89Å; W93-Y95 AromaticContact CE3-CE2 3.45Å; W93-Y95 HydrophobicContact CE3-CE2 3.45Å; W93-Y95 VanDerWaalsContact CE3-CE2 3.45Å; W93-Y95 AromaticContact CE3-CG 3.84Å; W93-Y95 HydrophobicContact CE3-CG 3.84Å; W93-Y95 AromaticContact CE3-CZ 3.62Å; W93-Y95 HydrophobicContact CG-CE1 4.45Å; W93-Y95 HydrophobicContact CH2-CD2 4.43Å; W93-Y95 HydrophobicContact CH2-CE2 4.27Å; W93-Y95 AromaticContact CZ3-CD2 3.45Å; W93-Y95 HydrophobicContact CZ3-CD2 3.45Å; W93-Y95 VanDerWaalsContact CZ3-CD2 3.45Å; W93-Y95 AromaticContact CZ3-CE2 3.55Å; W93-Y95 HydrophobicContact CZ3-CE2 3.55Å; W93-Y95 HydrophobicContact CZ3-CG 4.04Å; W93-E117 VanDerWaalsContact CA-O 3.29Å; W93-E117 WeakPolarHBondContact CA-O 3.08Å; W93-E117 HydrophobicContact CB-CB 4.03Å
94	L	97.9	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	116.1	179.5	178.3	53.1	0	0	0	109.2	L70 F85 L91 L96 F109 L112 E117 L118 T119	L70-L94 HydrophobicContact CB-CD1 4.09Å; L70-L94 HydrophobicContact CD2-CD1 3.96Å; L70-L94 HydrophobicContact CG-CD1 4.04Å; F85-L94 HydrophobicContact CD2-CD2 4.28Å; F85-L94 HydrophobicContact CE1-CD1 4.43Å; F85-L94 HydrophobicContact CE2-CD2 4.24Å; F85-L94 HydrophobicContact CG-CD2 4.49Å; F85-L94 HydrophobicContact CZ-CD2 4.4Å; L91-L94 HydrophobicContact CD2-CB 3.84Å; L91-L94 HydrophobicContact CD2-CD1 4.2Å; L91-L94 HydrophobicContact CD2-CD2 4.28Å; L91-L94 HydrophobicContact CD2-CG 4.33Å; L94-L96 HydrophobicContact CD1-CD1 4.2Å; L94-L96 HydrophobicContact CD1-CD2 4.38Å; L94-L96 HydrophobicContact CD1-CG 4.06Å; L94-L96 HydrophobicContact CD2-CD1 3.93Å; L94-L96 HydrophobicContact CG-CD1 3.85Å; L94-L96 HydrophobicContact CG-CG 4.07Å; L94-F109 HydrophobicContact CD2-CD1 4.11Å; L94-F109 HydrophobicContact CD2-CE1 3.91Å; L94-L112 HydrophobicContact CD2-CD1 4.04Å; L94-E117 PolarHBondContact N-O 2.94Å; L94-L118 HydrophobicContact CB-CD1 4.05Å; L94-L118 HydrophobicContact CD2-CD1 4.07Å; L94-L118 HydrophobicContact CG-CD1 4Å; L94-L118 WeakPolarHBondContact O-CA 3.25Å; L94-T119 PolarHBondContact O-N 3.41Å
95	Y	98.4	Very high	95.7	Very high	36 Å²	36	33.9 Å²	33.9	14%	0.141	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.3	-179.7	-54	-26.3	0	0	0	110.2	L70 L72 R73 W93 E117 T119	L70-Y95 PolarHBondContact O-N 3.09Å; L72-Y95 PolarHBondContact N-O 2.99Å; R73-Y95 VanDerWaalsContact CZ-CD2 3.43Å; W93-Y95 HydrophobicContact CB-CE1 4.02Å; W93-Y95 HydrophobicContact CD2-CE1 4.34Å; W93-Y95 HydrophobicContact CD2-CE2 4.09Å; W93-Y95 AromaticContact CD2-CZ 3.94Å; W93-Y95 AromaticContact CE3-CD1 3.99Å; W93-Y95 HydrophobicContact CE3-CD1 3.99Å; W93-Y95 AromaticContact CE3-CD2 3.56Å; W93-Y95 HydrophobicContact CE3-CD2 3.56Å; W93-Y95 AromaticContact CE3-CE1 3.89Å; W93-Y95 HydrophobicContact CE3-CE1 3.89Å; W93-Y95 AromaticContact CE3-CE2 3.45Å; W93-Y95 HydrophobicContact CE3-CE2 3.45Å; W93-Y95 VanDerWaalsContact CE3-CE2 3.45Å; W93-Y95 AromaticContact CE3-CG 3.84Å; W93-Y95 HydrophobicContact CE3-CG 3.84Å; W93-Y95 AromaticContact CE3-CZ 3.62Å; W93-Y95 HydrophobicContact CG-CE1 4.45Å; W93-Y95 HydrophobicContact CH2-CD2 4.43Å; W93-Y95 HydrophobicContact CH2-CE2 4.27Å; W93-Y95 AromaticContact CZ3-CD2 3.45Å; W93-Y95 HydrophobicContact CZ3-CD2 3.45Å; W93-Y95 VanDerWaalsContact CZ3-CD2 3.45Å; W93-Y95 AromaticContact CZ3-CE2 3.55Å; W93-Y95 HydrophobicContact CZ3-CE2 3.55Å; W93-Y95 HydrophobicContact CZ3-CG 4.04Å; Y95-E117 HydrophobicContact CE1-CG 4.05Å; Y95-T119 HydrophobicContact CD1-CG2 3.75Å; Y95-T119 HydrophobicContact CG-CG2 4.2Å
96	L	98	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.			trans	-126.3	16	-178.4	-66.6	164	0	0	0	111.1	L72 L77 L80 F85 L94 N99 I101 F109 L118 T119 L120 N123	L72-L96 HydrophobicContact CB-CD2 4Å; L72-L96 HydrophobicContact CD1-CD2 4.01Å; L77-L96 HydrophobicContact CD1-CD2 3.7Å; L80-L96 HydrophobicContact CD1-CD1 3.82Å; L80-L96 HydrophobicContact CD2-CD1 4.23Å; L80-L96 HydrophobicContact CD2-CD2 4.46Å; F85-L96 HydrophobicContact CE2-CD1 4.32Å; F85-L96 HydrophobicContact CZ-CD1 4.1Å; F85-L96 HydrophobicContact CZ-CD2 4.17Å; L94-L96 HydrophobicContact CD1-CD1 4.2Å; L94-L96 HydrophobicContact CD1-CD2 4.38Å; L94-L96 HydrophobicContact CD1-CG 4.06Å; L94-L96 HydrophobicContact CD2-CD1 3.93Å; L94-L96 HydrophobicContact CG-CD1 3.85Å; L94-L96 HydrophobicContact CG-CG 4.07Å; L96-N99 PolarHBondContact O-ND2 3.49Å; L96-I101 HydrophobicContact CB-CD1 4.11Å; L96-F109 HydrophobicContact CD1-CE1 4.18Å; L96-L118 HydrophobicContact CD1-CD1 4.42Å; L96-T119 PolarHBondContact N-O 3.14Å; L96-L120 HydrophobicContact CB-CD2 3.84Å; L96-L120 HydrophobicContact CD1-CD2 3.76Å; L96-L120 HydrophobicContact CG-CD2 4.46Å; L96-N123 PolarHBondContact O-ND2 3.35Å
97	D	98.3	Very high	95.8	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	20%	0.2	C	C	.	.			trans	-69.3	159.7	-179.9	59.3	-89.7	0	0	0	113	R73 Y74 N99 T119 S121	R73-D97 WeakPolarHBondContact CA-O 3.2Å; R73-D97 IonicContact CZ-OD1 2.68Å; R73-D97 VanDerWaalsContact CZ-OD1 3.3Å; R73-D97 VanDerWaalsContact NE-CG 3.3Å; R73-D97 IonicContact NE-OD1 2.76Å; R73-D97 PolarHBondContact NE-OD1 2.87Å; R73-D97 IonicContact NE-OD2 3.46Å; R73-D97 PolarHBondContact NE-OD2 3Å; R73-D97 VanDerWaalsContact NE-OD2 3.13Å; R73-D97 IonicContact NH2-OD1 3.62Å; R73-D97 PolarHBondContact NH2-OD1 2.99Å; Y74-D97 PolarHBondContact N-O 3.38Å; D97-N99 PolarHBondContact O-ND2 3.39Å; D97-T119 HydrophobicContact CB-CG2 4.13Å; D97-T119 WeakPolarHBondContact OD1-CG2 3.37Å; D97-S121 CarbonylContact C-O 3.47Å; D97-S121 WeakPolarHBondContact CA-O 3.49Å; D97-S121 VanDerWaalsContact CB-O 3.27Å; D97-S121 WeakPolarHBondContact CB-O 3.27Å
98	H	98.4	Very high	96.1	Very high	65 Å²	65	34.6 Å²	34.6	30%	0.301	18%	0.182	S	C	.	.	S	Bend	trans	55.1	58.7	-177.6	-58	87.5	0	0	0	111.9	Y74 N75 S121 S122	Y74-H98 CarbonylContact C-O 3.37Å; Y74-H98 WeakPolarHBondContact CA-O 3.28Å; Y74-H98 HydrophobicContact CD1-CB 3.48Å; Y74-H98 VanDerWaalsContact CD1-CB 3.48Å; Y74-H98 AromaticContact CD1-CG 3.9Å; Y74-H98 HydrophobicContact CD2-CB 4.46Å; Y74-H98 HydrophobicContact CE1-CB 3.57Å; Y74-H98 AromaticContact CE1-CD2 3.7Å; Y74-H98 AromaticContact CE1-CG 3.4Å; Y74-H98 VanDerWaalsContact CE1-CG 3.4Å; Y74-H98 AromaticContact CE1-ND1 3.93Å; Y74-H98 HydrophobicContact CG-CB 3.96Å; Y74-H98 AromaticContact CZ-CG 3.68Å; Y74-H98 AromaticContact CZ-ND1 3.69Å; Y74-H98 PolarHBondContact N-O 3.28Å; Y74-H98 VanDerWaalsContact N-O 3.12Å; N75-H98 PolarHBondContact N-O 3.47Å; H98-S121 PolarHBondContact N-O 3.27Å; H98-S122 VanDerWaalsContact CA-O 3.29Å; H98-S122 WeakPolarHBondContact CA-O 3.18Å; H98-S122 WeakPolarHBondContact CD2-CB 3.28Å; H98-S122 PolarHBondContact CD2-OG 2.94Å; H98-S122 PolarHBondContact N-O 3.33Å; H98-S122 WeakPolarHBondContact NE2-CB 3.31Å; H98-S122 PolarHBondContact NE2-OG 2.95Å
99	N	98.3	Very high	96.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-132.8	-166.4	178.9	-89.3	-91.4	0	0	0	109.6	L72 N75 L77 L96 D97 I101 S122 N123	L72-N99 PolarHBondContact O-ND2 2.93Å; N75-N99 WeakPolarHBondContact CA-OD1 3.42Å; N75-N99 VanDerWaalsContact CB-OD1 3.24Å; N75-N99 WeakPolarHBondContact CB-OD1 3.38Å; N75-N99 PolarHBondContact O-OD1 2.86Å; L77-N99 HydrophobicContact CB-CB 4.33Å; L77-N99 VanDerWaalsContact CB-OD1 3.25Å; L77-N99 WeakPolarHBondContact CB-OD1 3.44Å; L77-N99 WeakPolarHBondContact CG-OD1 3.46Å; L77-N99 PolarHBondContact N-OD1 2.94Å; L77-N99 VanDerWaalsContact N-OD1 3.09Å; L96-N99 PolarHBondContact O-ND2 3.49Å; D97-N99 PolarHBondContact O-ND2 3.39Å; N99-I101 HydrophobicContact CB-CD1 4.2Å; N99-I101 HydrophobicContact CB-CG1 4.12Å; N99-S122 PolarHBondContact N-O 2.91Å; N99-S122 VanDerWaalsContact N-O 3.14Å; N99-N123 WeakPolarHBondContact CA-OD1 3.43Å; N99-N123 WeakPolarHBondContact CB-OD1 3.37Å; N99-N123 PolarHBondContact O-OD1 3.44Å
100	H	97.9	Very high	96.2	Very high	98 Å²	98	33.3 Å²	33.3	45%	0.454	17%	0.174	S	C	.	.			trans	-118.8	22.7	-179.7	-61.2	-14.9	0	0	0	112.4	L77 C102 N123	L77-H100 CarbonylContact O-C 3.59Å; L77-H100 VanDerWaalsContact O-CA 3.28Å; L77-H100 WeakPolarHBondContact O-CA 3.31Å; L77-H100 PolarHBondContact O-N 3.45Å; H100-C102 PolarHBondContact O-N 3.36Å; H100-C102 VanDerWaalsContact O-N 3.11Å; H100-N123 PolarHBondContact N-OD1 3.5Å
101	I	98.1	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.			trans	-63.8	115	-171.6	-58.6	164.8	0	0	0	108.7	L77 S78 L80 L96 N99 S103 V104 L120 N123 Q124 I125	L77-I101 HydrophobicContact CB-CD1 4.41Å; L77-I101 HydrophobicContact CB-CG1 4.01Å; L77-I101 WeakPolarHBondContact O-CG1 3.34Å; L77-I101 PolarHBondContact O-N 2.86Å; S78-I101 WeakPolarHBondContact O-CA 3.29Å; L80-I101 HydrophobicContact CD1-CD1 4.19Å; L80-I101 HydrophobicContact CD1-CG2 4.43Å; L80-I101 HydrophobicContact CD2-CD1 3.92Å; L80-I101 HydrophobicContact CD2-CG1 4.48Å; L80-I101 HydrophobicContact CG-CD1 4.05Å; L80-I101 HydrophobicContact CG-CG2 3.99Å; L96-I101 HydrophobicContact CB-CD1 4.11Å; N99-I101 HydrophobicContact CB-CD1 4.2Å; N99-I101 HydrophobicContact CB-CG1 4.12Å; I101-S103 WeakPolarHBondContact CG2-O 3.33Å; I101-V104 HydrophobicContact CG2-CG2 3.86Å; I101-L120 HydrophobicContact CD1-CD2 4.16Å; I101-N123 HydrophobicContact CB-CB 4.39Å; I101-N123 VanDerWaalsContact CB-OD1 3.25Å; I101-N123 WeakPolarHBondContact CB-OD1 3.4Å; I101-N123 VanDerWaalsContact CG1-OD1 3.32Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.42Å; I101-N123 PolarHBondContact N-OD1 3.37Å; I101-Q124 CarbonylContact O-C 3.59Å; I101-Q124 VanDerWaalsContact O-CA 3.31Å; I101-Q124 WeakPolarHBondContact O-CA 3.47Å; I101-Q124 PolarHBondContact O-N 2.9Å; I101-I125 HydrophobicContact CB-CG1 4.4Å; I101-I125 HydrophobicContact CG2-CD1 4.32Å; I101-I125 HydrophobicContact CG2-CG1 4.07Å; I101-I125 VanDerWaalsContact O-CG1 3.28Å; I101-I125 WeakPolarHBondContact O-CG1 3.21Å; I101-I125 PolarHBondContact O-N 3.12Å
102	C	97	Very high	96	Very high	65 Å²	65	34.4 Å²	34.4	44%	0.439	18%	0.178	S	C	.	.			trans	-106.4	-25.7	176	65.3	0	0	0	0	112.6	S78 H100 Q124	S78-C102 PolarHBondContact O-N 2.9Å; S78-C102 PolarHBondContact O-SG 3.28Å; S78-C102 VanDerWaalsContact O-SG 3.41Å; H100-C102 PolarHBondContact O-N 3.36Å; H100-C102 VanDerWaalsContact O-N 3.11Å; C102-Q124 HydrophobicContact CB-CB 4.22Å
103	S	95.6	Very high	95.8	Very high	45 Å²	45	41.7 Å²	41.7	32%	0.315	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.1	-179	176.1	0	0	0	0	111.2	E79 L80 I101	E79-S103 WeakPolarHBondContact CA-O 3.38Å; E79-S103 PolarHBondContact OE1-OG 3.05Å; L80-S103 PolarHBondContact N-O 3.43Å; I101-S103 WeakPolarHBondContact CG2-O 3.33Å
104	V	96.8	Very high	95.8	Very high	9 Å²	9	46 Å²	46	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	107.8	171.8	-178.9	0	0	0	0	108.1	L80 I101 A108 F109 I125 L128 T132	L80-V104 HydrophobicContact CB-CG1 4.37Å; L80-V104 HydrophobicContact CD1-CG1 4.31Å; L80-V104 HydrophobicContact CD1-CG2 4.07Å; L80-V104 HydrophobicContact CG-CG2 4.42Å; I101-V104 HydrophobicContact CG2-CG2 3.86Å; V104-A108 HydrophobicContact CG1-CB 4.3Å; V104-F109 HydrophobicContact CG1-CE2 3.78Å; V104-F109 HydrophobicContact CG1-CZ 4.32Å; V104-I125 HydrophobicContact CG2-CD1 3.89Å; V104-I125 HydrophobicContact CG2-CG1 4.26Å; V104-L128 HydrophobicContact CB-CD2 3.79Å; V104-L128 HydrophobicContact CG1-CD2 4.19Å; V104-L128 HydrophobicContact CG2-CD2 3.91Å; V104-T132 HydrophobicContact CG1-CG2 4.11Å
105	Q	94.4	Very high	95.8	Very high	69 Å²	69	46 Å²	46	32%	0.322	22%	0.219	S	C	.	.			trans	-70.1	145.6	179.7	-61.4	-176.5	5.8	0	0	110.6	E79 L80 A82 D107 A108	E79-Q105 PolarHBondContact OE1-NE2 2.74Å; L80-Q105 WeakPolarHBondContact O-CB 3.35Å; L80-Q105 PolarHBondContact O-N 2.85Å; A82-Q105 HydrophobicContact CB-CB 4.46Å; Q105-D107 PolarHBondContact O-N 3.04Å; Q105-A108 WeakPolarHBondContact O-CB 3.41Å; Q105-A108 PolarHBondContact O-N 3.16Å
106	G	90.4	Very high	95.8	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.1	-170.1	0	0	0	0	0	115.9	T131	G106-T131 VanDerWaalsContact CA-OG1 3.28Å; G106-T131 WeakPolarHBondContact CA-OG1 3.29Å; G106-T131 PolarHBondContact O-OG1 2.96Å
107	D	91.1	Very high	95.8	Very high	75 Å²	75	52.7 Å²	52.7	40%	0.401	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	16.6	176.9	-81.8	-71.2	0	0	0	113.5	A82 G83 Q105 F109 Q110	A82-D107 HydrophobicContact CB-CB 4.02Å; G83-D107 PolarHBondContact N-O 3Å; G83-D107 VanDerWaalsContact N-O 3.13Å; Q105-D107 PolarHBondContact O-N 3.04Å; D107-F109 VanDerWaalsContact C-N 3.3Å; D107-F109 PolarHBondContact O-N 3.11Å; D107-Q110 HydrophobicContact CB-CB 4.38Å; D107-Q110 VanDerWaalsContact O-CB 3.31Å; D107-Q110 WeakPolarHBondContact O-CB 3.23Å; D107-Q110 PolarHBondContact O-N 2.99Å; D107-Q110 PolarHBondContact OD1-NE2 3.24Å
108	A	93.9	Very high	95.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42	178.3	0	0	0	0	0	112.4	L80 R81 F85 V104 Q105 Q110	L80-A108 HydrophobicContact CB-CB 3.88Å; R81-A108 WeakPolarHBondContact O-CA 3.45Å; F85-A108 WeakPolarHBondContact CD2-O 3.43Å; V104-A108 HydrophobicContact CG1-CB 4.3Å; Q105-A108 WeakPolarHBondContact O-CB 3.41Å; Q105-A108 PolarHBondContact O-N 3.16Å; A108-Q110 VanDerWaalsContact C-N 3.33Å; A108-Q110 PolarHBondContact O-N 3.41Å
109	F	95.3	Very high	95.8	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	18	-179.5	-56	-60.1	0	0	0	113.9	L80 F85 L94 L96 V104 D107 K111 L112 L118 L120 T132 P135 M136	L80-F109 HydrophobicContact CD1-CE1 3.97Å; L80-F109 HydrophobicContact CD1-CE2 4.49Å; L80-F109 HydrophobicContact CD1-CZ 3.56Å; F85-F109 HydrophobicContact CD2-CD1 4.05Å; F85-F109 HydrophobicContact CD2-CE1 4.27Å; F85-F109 HydrophobicContact CE2-CD1 4.28Å; F85-F109 HydrophobicContact CE2-CE1 4.04Å; L94-F109 HydrophobicContact CD2-CD1 4.11Å; L94-F109 HydrophobicContact CD2-CE1 3.91Å; L96-F109 HydrophobicContact CD1-CE1 4.18Å; V104-F109 HydrophobicContact CG1-CE2 3.78Å; V104-F109 HydrophobicContact CG1-CZ 4.32Å; D107-F109 VanDerWaalsContact C-N 3.3Å; D107-F109 PolarHBondContact O-N 3.11Å; F109-K111 PolarHBondContact O-N 2.95Å; F109-L112 HydrophobicContact CB-CD1 4.03Å; F109-L112 HydrophobicContact CD1-CD1 3.89Å; F109-L112 HydrophobicContact CG-CD1 4.45Å; F109-L112 WeakPolarHBondContact O-CB 3.21Å; F109-L112 WeakPolarHBondContact O-CG 3.49Å; F109-L112 PolarHBondContact O-N 3.04Å; F109-L118 HydrophobicContact CE1-CD1 4.15Å; F109-L118 HydrophobicContact CE1-CD2 4.39Å; F109-L118 HydrophobicContact CE2-CD2 4.23Å; F109-L118 HydrophobicContact CZ-CD1 4.31Å; F109-L118 HydrophobicContact CZ-CD2 4.09Å; F109-L120 HydrophobicContact CE2-CD1 4.44Å; F109-L120 HydrophobicContact CZ-CD1 4.1Å; F109-L120 HydrophobicContact CZ-CD2 4.33Å; F109-T132 HydrophobicContact CD2-CG2 3.75Å; F109-T132 HydrophobicContact CE2-CG2 3.64Å; F109-P135 WeakPolarHBondContact O-CB 3.13Å; F109-M136 HydrophobicContact CB-CE 3.46Å; F109-M136 VanDerWaalsContact CB-CE 3.46Å; F109-M136 HydrophobicContact CB-CG 4.44Å; F109-M136 HydrophobicContact CB-SD 3.84Å; F109-M136 HydrophobicContact CD1-CE 4.25Å; F109-M136 HydrophobicContact CD1-SD 4.46Å; F109-M136 HydrophobicContact CD2-CE 3.64Å; F109-M136 HydrophobicContact CE2-CE 4.44Å; F109-M136 HydrophobicContact CG-CE 3.52Å; F109-M136 HydrophobicContact CG-SD 4.14Å
110	Q	92.9	Very high	95.8	Very high	70 Å²	70	49.6 Å²	49.6	33%	0.327	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	141.3	-176.9	-158.5	-167.6	86	0	0	111.6	T86 D107 A108 L112	T86-Q110 HydrophobicContact CG2-CB 4.25Å; D107-Q110 HydrophobicContact CB-CB 4.38Å; D107-Q110 VanDerWaalsContact O-CB 3.31Å; D107-Q110 WeakPolarHBondContact O-CB 3.23Å; D107-Q110 PolarHBondContact O-N 2.99Å; D107-Q110 PolarHBondContact OD1-NE2 3.24Å; A108-Q110 VanDerWaalsContact C-N 3.33Å; A108-Q110 PolarHBondContact O-N 3.41Å; Q110-L112 PolarHBondContact O-N 2.97Å
111	K	90.8	Very high	95.9	Very high	97 Å²	97	45.4 Å²	45.4	42%	0.422	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-2.3	-178.2	-47.7	178.5	-170.1	170	0	116.4	T86 M89 F109 R113	T86-K111 HydrophobicContact CG2-CD 4.03Å; T86-K111 HydrophobicContact CG2-CG 4.3Å; M89-K111 HydrophobicContact CE-CD 3.96Å; M89-K111 HydrophobicContact CG-CB 4.27Å; F109-K111 PolarHBondContact O-N 2.95Å; K111-R113 PolarHBondContact O-N 3.41Å
112	L	95.3	Very high	95.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.23	C	C	.	.			trans	-72.8	38.3	179.3	-63.5	-172.3	0	0	0	115.4	F85 L88 L91 L94 F109 Q110 R114 V115 M136	F85-L112 HydrophobicContact CB-CD1 3.93Å; F85-L112 HydrophobicContact CB-CD2 4.06Å; F85-L112 HydrophobicContact CB-CG 4.27Å; F85-L112 HydrophobicContact CG-CD1 4.46Å; L88-L112 HydrophobicContact CB-CD2 3.99Å; L88-L112 WeakPolarHBondContact O-CD2 3.23Å; L91-L112 HydrophobicContact CB-CD2 4.42Å; L91-L112 HydrophobicContact CD2-CD2 4.35Å; L94-L112 HydrophobicContact CD2-CD1 4.04Å; F109-L112 HydrophobicContact CB-CD1 4.03Å; F109-L112 HydrophobicContact CD1-CD1 3.89Å; F109-L112 HydrophobicContact CG-CD1 4.45Å; F109-L112 WeakPolarHBondContact O-CB 3.21Å; F109-L112 WeakPolarHBondContact O-CG 3.49Å; F109-L112 PolarHBondContact O-N 3.04Å; Q110-L112 PolarHBondContact O-N 2.97Å; L112-R114 PolarHBondContact O-N 3.27Å; L112-V115 HydrophobicContact CB-CG2 3.87Å; L112-V115 HydrophobicContact CD1-CG2 4.36Å; L112-V115 PolarHBondContact O-N 3.13Å; L112-M136 HydrophobicContact CB-CG 3.84Å; L112-M136 HydrophobicContact CB-SD 4.07Å; L112-M136 HydrophobicContact CD1-SD 4.29Å
113	R	95.1	Very high	96	Very high	183 Å²	183	44.5 Å²	44.5	69%	0.691	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.4	-171.7	-68	-177.7	175.7	-176.8	-0.1	115.3	K111 P135 N138	K111-R113 PolarHBondContact O-N 3.41Å; R113-P135 WeakPolarHBondContact CA-O 3.31Å; R113-N138 PolarHBondContact O-ND2 3.29Å
114	R	97.3	Very high	96.1	Very high	122 Å²	122	45.8 Å²	45.8	46%	0.46	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.3	-178.4	-74.2	-178.4	58.5	138	12.6	114.4	Q90 L91 L112	Q90-R114 VanDerWaalsContact OE1-CD 3.3Å; Q90-R114 VanDerWaalsContact OE1-CZ 3.28Å; L91-R114 CarbonylContact O-C 3.56Å; L91-R114 VanDerWaalsContact O-CB 3.24Å; L91-R114 WeakPolarHBondContact O-CB 3.08Å; L112-R114 PolarHBondContact O-N 3.27Å
115	V	98.2	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.			trans	-66	135.1	-179.8	175.8	0	0	0	0	110.5	L91 L112 E117 M136 N138 L139	L91-V115 HydrophobicContact CB-CG2 4.02Å; L91-V115 HydrophobicContact CD2-CG2 4.13Å; L91-V115 HydrophobicContact CG-CG2 4.23Å; L91-V115 WeakPolarHBondContact O-CG2 3.33Å; L91-V115 PolarHBondContact O-N 2.84Å; L91-V115 VanDerWaalsContact O-N 3.1Å; L112-V115 HydrophobicContact CB-CG2 3.87Å; L112-V115 HydrophobicContact CD1-CG2 4.36Å; L112-V115 PolarHBondContact O-N 3.13Å; V115-E117 WeakPolarHBondContact CG1-O 3.44Å; V115-M136 HydrophobicContact CB-CG 4.46Å; V115-M136 HydrophobicContact CB-SD 4.15Å; V115-M136 HydrophobicContact CG1-SD 4.17Å; V115-N138 CarbonylContact O-C 3.39Å; V115-L139 HydrophobicContact CG1-CD2 3.98Å; V115-L139 PolarHBondContact O-N 3.31Å
116	K	98.5	Very high	96.3	Very high	94 Å²	94	45.1 Å²	45.1	41%	0.409	21%	0.213	S	C	.	.			trans	-116.3	-23	178.4	-61.7	168.3	-171	167	0	111.7	T92 R140 S141	T92-K116 PolarHBondContact O-N 3.33Å; K116-R140 HydrophobicContact CB-CG 4.28Å; K116-R140 WeakPolarHBondContact O-CA 3.35Å; K116-R140 WeakPolarHBondContact O-CB 3.38Å; K116-R140 PolarHBondContact O-N 2.98Å; K116-S141 PolarHBondContact O-N 3Å
117	E	98.7	Very high	96.6	Very high	82 Å²	82	50.8 Å²	50.8	38%	0.383	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	124.1	-171.9	-175.1	166.5	168.1	0	0	109.2	T92 W93 L94 Y95 V115 S141	T92-E117 PolarHBondContact O-N 2.78Å; W93-E117 VanDerWaalsContact CA-O 3.29Å; W93-E117 WeakPolarHBondContact CA-O 3.08Å; W93-E117 HydrophobicContact CB-CB 4.03Å; L94-E117 PolarHBondContact N-O 2.94Å; Y95-E117 HydrophobicContact CE1-CG 4.05Å; V115-E117 WeakPolarHBondContact CG1-O 3.44Å; E117-S141 WeakPolarHBondContact CA-O 3.47Å
118	L	98.6	Very high	96.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125	178.5	172.9	62.7	0	0	0	107.9	L94 L96 F109 L120 F133 M136 L139 S141 V142 D143	L94-L118 HydrophobicContact CB-CD1 4.05Å; L94-L118 HydrophobicContact CD2-CD1 4.07Å; L94-L118 HydrophobicContact CG-CD1 4Å; L94-L118 WeakPolarHBondContact O-CA 3.25Å; L96-L118 HydrophobicContact CD1-CD1 4.42Å; F109-L118 HydrophobicContact CE1-CD1 4.15Å; F109-L118 HydrophobicContact CE1-CD2 4.39Å; F109-L118 HydrophobicContact CE2-CD2 4.23Å; F109-L118 HydrophobicContact CZ-CD1 4.31Å; F109-L118 HydrophobicContact CZ-CD2 4.09Å; L118-L120 HydrophobicContact CD1-CG 4.25Å; L118-L120 HydrophobicContact CD2-CD1 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.31Å; L118-L120 HydrophobicContact CG-CG 4.38Å; L118-F133 HydrophobicContact CD2-CD1 4.23Å; L118-F133 HydrophobicContact CD2-CE1 3.83Å; L118-M136 HydrophobicContact CD2-CE 3.83Å; L118-M136 HydrophobicContact CD2-SD 4.43Å; L118-L139 HydrophobicContact CB-CD2 3.95Å; L118-S141 PolarHBondContact N-O 3.42Å; L118-S141 VanDerWaalsContact N-O 3.14Å; L118-V142 WeakPolarHBondContact O-CA 3.38Å; L118-D143 PolarHBondContact O-N 2.98Å
119	T	98.5	Very high	96.9	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.3	165.4	178.5	0	0	0	0	111	L94 Y95 L96 D97 S121 D143	L94-T119 PolarHBondContact O-N 3.41Å; Y95-T119 HydrophobicContact CD1-CG2 3.75Å; Y95-T119 HydrophobicContact CG-CG2 4.2Å; L96-T119 PolarHBondContact N-O 3.14Å; D97-T119 HydrophobicContact CB-CG2 4.13Å; D97-T119 WeakPolarHBondContact OD1-CG2 3.37Å; T119-S121 PolarHBondContact OG1-N 2.93Å; T119-S121 PolarHBondContact OG1-OG 3.49Å; T119-D143 PolarHBondContact OG1-OD2 3.22Å; T119-D143 VanDerWaalsContact OG1-OD2 3.04Å
120	L	98.4	Very high	96.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.245	C	C	.	.			trans	-126.5	19.7	174.8	-67.9	158.9	0	0	0	109.2	L80 L96 I101 F109 L118 N123 I125 D143 L144 N147	L80-L120 HydrophobicContact CD1-CD2 3.75Å; L96-L120 HydrophobicContact CB-CD2 3.84Å; L96-L120 HydrophobicContact CD1-CD2 3.76Å; L96-L120 HydrophobicContact CG-CD2 4.46Å; I101-L120 HydrophobicContact CD1-CD2 4.16Å; F109-L120 HydrophobicContact CE2-CD1 4.44Å; F109-L120 HydrophobicContact CZ-CD1 4.1Å; F109-L120 HydrophobicContact CZ-CD2 4.33Å; L118-L120 HydrophobicContact CD1-CG 4.25Å; L118-L120 HydrophobicContact CD2-CD1 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.31Å; L118-L120 HydrophobicContact CG-CG 4.38Å; L120-N123 WeakPolarHBondContact O-CB 3.26Å; L120-N123 PolarHBondContact O-ND2 2.87Å; L120-I125 HydrophobicContact CB-CD1 3.95Å; L120-I125 HydrophobicContact CD1-CD1 4.26Å; L120-I125 HydrophobicContact CD2-CD1 4.33Å; L120-I125 HydrophobicContact CG-CD1 4.42Å; L120-D143 PolarHBondContact N-O 2.89Å; L120-L144 HydrophobicContact CB-CD2 4.09Å; L120-L144 HydrophobicContact CD1-CD2 3.84Å; L120-N147 PolarHBondContact O-ND2 3.21Å
121	S	98.6	Very high	97	Very high	11 Å²	11	51.7 Å²	51.7	8%	0.077	25%	0.246	C	C	.	.			trans	-71.1	162.1	-175.8	52.6	0	0	0	0	113.3	D97 H98 T119 N123 D143 S145	D97-S121 CarbonylContact C-O 3.47Å; D97-S121 WeakPolarHBondContact CA-O 3.49Å; D97-S121 VanDerWaalsContact CB-O 3.27Å; D97-S121 WeakPolarHBondContact CB-O 3.27Å; H98-S121 PolarHBondContact N-O 3.27Å; T119-S121 PolarHBondContact OG1-N 2.93Å; T119-S121 PolarHBondContact OG1-OG 3.49Å; S121-N123 PolarHBondContact O-ND2 3.43Å; S121-D143 WeakPolarHBondContact CB-OD2 3.33Å; S121-D143 PolarHBondContact OG-OD2 3.32Å; S121-S145 CarbonylContact C-O 3.5Å; S121-S145 WeakPolarHBondContact CA-O 3.4Å; S121-S145 WeakPolarHBondContact CB-O 3.48Å
122	S	98.6	Very high	97.2	Very high	36 Å²	36	47 Å²	47	25%	0.252	23%	0.226	S	C	.	.	S	Bend	trans	53.6	57.2	-174.6	-59.4	0	0	0	0	111.7	H98 N99 S145 Y146	H98-S122 VanDerWaalsContact CA-O 3.29Å; H98-S122 WeakPolarHBondContact CA-O 3.18Å; H98-S122 WeakPolarHBondContact CD2-CB 3.28Å; H98-S122 PolarHBondContact CD2-OG 2.94Å; H98-S122 PolarHBondContact N-O 3.33Å; H98-S122 WeakPolarHBondContact NE2-CB 3.31Å; H98-S122 PolarHBondContact NE2-OG 2.95Å; N99-S122 PolarHBondContact N-O 2.91Å; N99-S122 VanDerWaalsContact N-O 3.14Å; S122-S145 PolarHBondContact N-O 2.91Å; S122-Y146 VanDerWaalsContact CA-O 3.26Å; S122-Y146 WeakPolarHBondContact CA-O 3.42Å; S122-Y146 PolarHBondContact N-O 3.45Å
123	N	98.7	Very high	97.3	Very high	10 Å²	10	47 Å²	47	5%	0.053	23%	0.226	C	C	.	.	S	Bend	trans	-136.2	-168	-179.9	-88.6	-79.4	0	0	0	110	L96 N99 H100 I101 L120 S121 I125 Y146 N147	L96-N123 PolarHBondContact O-ND2 3.35Å; N99-N123 WeakPolarHBondContact CA-OD1 3.43Å; N99-N123 WeakPolarHBondContact CB-OD1 3.37Å; N99-N123 PolarHBondContact O-OD1 3.44Å; H100-N123 PolarHBondContact N-OD1 3.5Å; I101-N123 HydrophobicContact CB-CB 4.39Å; I101-N123 VanDerWaalsContact CB-OD1 3.25Å; I101-N123 WeakPolarHBondContact CB-OD1 3.4Å; I101-N123 VanDerWaalsContact CG1-OD1 3.32Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.42Å; I101-N123 PolarHBondContact N-OD1 3.37Å; L120-N123 WeakPolarHBondContact O-CB 3.26Å; L120-N123 PolarHBondContact O-ND2 2.87Å; S121-N123 PolarHBondContact O-ND2 3.43Å; N123-I125 HydrophobicContact CB-CG1 4.33Å; N123-Y146 PolarHBondContact N-O 2.87Å; N123-N147 WeakPolarHBondContact CB-OD1 3.22Å
124	Q	98.3	Very high	97.3	Very high	72 Å²	72	44 Å²	44	34%	0.336	22%	0.215	S	C	.	.			trans	-121.2	20.1	-174.3	-54.4	-158.3	54.5	0	0	113.2	I101 C102 T126 N147 K148	I101-Q124 CarbonylContact O-C 3.59Å; I101-Q124 VanDerWaalsContact O-CA 3.31Å; I101-Q124 WeakPolarHBondContact O-CA 3.47Å; I101-Q124 PolarHBondContact O-N 2.9Å; C102-Q124 HydrophobicContact CB-CB 4.22Å; Q124-T126 PolarHBondContact O-N 3.24Å; Q124-N147 PolarHBondContact N-OD1 3.39Å; Q124-K148 HydrophobicContact CB-CD 4.23Å
125	I	98.3	Very high	97.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.2	C	C	.	.			trans	-66.6	122.2	-172.5	-55.4	172.5	0	0	0	109.5	I101 V104 L120 N123 Q127 L128 N147 K148 L149	I101-I125 HydrophobicContact CB-CG1 4.4Å; I101-I125 HydrophobicContact CG2-CD1 4.32Å; I101-I125 HydrophobicContact CG2-CG1 4.07Å; I101-I125 VanDerWaalsContact O-CG1 3.28Å; I101-I125 WeakPolarHBondContact O-CG1 3.21Å; I101-I125 PolarHBondContact O-N 3.12Å; V104-I125 HydrophobicContact CG2-CD1 3.89Å; V104-I125 HydrophobicContact CG2-CG1 4.26Å; L120-I125 HydrophobicContact CB-CD1 3.95Å; L120-I125 HydrophobicContact CD1-CD1 4.26Å; L120-I125 HydrophobicContact CD2-CD1 4.33Å; L120-I125 HydrophobicContact CG-CD1 4.42Å; N123-I125 HydrophobicContact CB-CG1 4.33Å; I125-Q127 VanDerWaalsContact CG2-O 3.27Å; I125-Q127 WeakPolarHBondContact CG2-O 3.41Å; I125-L128 HydrophobicContact CG2-CD2 3.71Å; I125-L128 HydrophobicContact CG2-CG 3.98Å; I125-N147 VanDerWaalsContact CB-OD1 3.31Å; I125-N147 WeakPolarHBondContact CB-OD1 3.31Å; I125-N147 WeakPolarHBondContact CG1-OD1 3.34Å; I125-N147 PolarHBondContact N-OD1 2.98Å; I125-K148 CarbonylContact O-C 3.52Å; I125-K148 VanDerWaalsContact O-CA 3.31Å; I125-K148 WeakPolarHBondContact O-CA 3.06Å; I125-K148 PolarHBondContact O-N 2.87Å; I125-L149 HydrophobicContact CB-CD2 4.42Å; I125-L149 HydrophobicContact CG2-CD2 3.83Å; I125-L149 PolarHBondContact O-N 2.98Å; I125-L149 VanDerWaalsContact O-N 3.15Å
126	T	96.8	Very high	97.1	Very high	63 Å²	63	39.4 Å²	39.4	39%	0.387	20%	0.2	S	C	.	.			trans	-94.5	-29.4	-179	54.6	0	0	0	0	113.6	Q124 K148 L149 Q150	Q124-T126 PolarHBondContact O-N 3.24Å; T126-K148 WeakPolarHBondContact CA-O 3.44Å; T126-K148 HydrophobicContact CG2-CB 3.97Å; T126-L149 WeakPolarHBondContact O-CA 3.3Å; T126-Q150 PolarHBondContact O-N 3.46Å
127	Q	96	Very high	97	Very high	137 Å²	137	37.7 Å²	37.7	64%	0.64	20%	0.199	S	C	*	.			trans	-150.3	156.8	-179.6	-60.9	-174.2	4.4	0	0	110.4	I125	I125-Q127 VanDerWaalsContact CG2-O 3.27Å; I125-Q127 WeakPolarHBondContact CG2-O 3.41Å
128	L	97.1	Very high	97	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	19%	0.193	C	C	.	.			trans	-131.3	128	170.7	-70.9	176.8	0	0	0	110.3	V104 I125 T132 F133 L144 L149 L156	V104-L128 HydrophobicContact CB-CD2 3.79Å; V104-L128 HydrophobicContact CG1-CD2 4.19Å; V104-L128 HydrophobicContact CG2-CD2 3.91Å; I125-L128 HydrophobicContact CG2-CD2 3.71Å; I125-L128 HydrophobicContact CG2-CG 3.98Å; L128-T132 HydrophobicContact CD2-CG2 4.24Å; L128-F133 HydrophobicContact CD1-CE2 4.08Å; L128-F133 HydrophobicContact CD1-CZ 3.75Å; L128-L144 HydrophobicContact CD1-CD1 3.81Å; L128-L144 HydrophobicContact CD1-CD2 4.06Å; L128-L149 HydrophobicContact CG-CD2 4.2Å; L128-L156 HydrophobicContact CB-CD1 3.81Å; L128-L156 HydrophobicContact CB-CD2 4.18Å; L128-L156 HydrophobicContact CD1-CD2 4.43Å
129	P	95.4	Very high	97	Very high	48 Å²	48	36.2 Å²	36.2	31%	0.312	19%	0.193	S	C	.	.			trans	-70	151.6	178.4	27.1	-34	0	0	0	112.5	T131 T132 L156	P129-T131 PolarHBondContact O-N 3.3Å; P129-T132 VanDerWaalsContact CD-OG1 3.25Å; P129-T132 WeakPolarHBondContact CD-OG1 3.47Å; P129-T132 WeakPolarHBondContact CG-OG1 3.46Å; P129-T132 WeakPolarHBondContact O-CB 3.15Å; P129-T132 PolarHBondContact O-N 3.39Å; P129-T132 PolarHBondContact O-OG1 2.9Å; P129-L156 WeakPolarHBondContact O-CD1 3.49Å
130	N	95.1	Very high	97	Very high	51 Å²	51	42.1 Å²	42.1	27%	0.273	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-16.9	178.1	-86.3	-24.4	0	0	0	115	R134 A153 D155 L156	N130-R134 PolarHBondContact O-NE 2.87Å; N130-A153 WeakPolarHBondContact OD1-CB 3.42Å; N130-D155 HydrophobicContact CB-CB 4.31Å; N130-D155 WeakPolarHBondContact OD1-CA 3.25Å; N130-D155 PolarHBondContact OD1-N 3.25Å; N130-L156 PolarHBondContact OD1-N 2.92Å
131	T	94.2	Very high	97	Very high	58 Å²	58	43.2 Å²	43.2	36%	0.356	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-23.5	178.2	43.3	0	0	0	0	114	G106 P129 F133 R134 P135	G106-T131 VanDerWaalsContact CA-OG1 3.28Å; G106-T131 WeakPolarHBondContact CA-OG1 3.29Å; G106-T131 PolarHBondContact O-OG1 2.96Å; P129-T131 PolarHBondContact O-N 3.3Å; T131-F133 PolarHBondContact O-N 3.5Å; T131-F133 VanDerWaalsContact O-N 3.09Å; T131-R134 WeakPolarHBondContact O-CB 3.27Å; T131-R134 PolarHBondContact O-N 2.67Å; T131-P135 VanDerWaalsContact O-CD 3.26Å; T131-P135 WeakPolarHBondContact O-CD 3.03Å
132	T	96.3	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43	-52.3	-168.5	-52.2	0	0	0	0	114.4	V104 F109 L128 P129	V104-T132 HydrophobicContact CG1-CG2 4.11Å; F109-T132 HydrophobicContact CD2-CG2 3.75Å; F109-T132 HydrophobicContact CE2-CG2 3.64Å; L128-T132 HydrophobicContact CD2-CG2 4.24Å; P129-T132 VanDerWaalsContact CD-OG1 3.25Å; P129-T132 WeakPolarHBondContact CD-OG1 3.47Å; P129-T132 WeakPolarHBondContact CG-OG1 3.46Å; P129-T132 WeakPolarHBondContact O-CB 3.15Å; P129-T132 PolarHBondContact O-N 3.39Å; P129-T132 PolarHBondContact O-OG1 2.9Å
133	F	96.9	Very high	97	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-7.7	-174.4	-53.9	-53.7	0	0	0	114	L118 L128 T131 P135 M136 L139 V142 L144 L156 F157 L160	L118-F133 HydrophobicContact CD2-CD1 4.23Å; L118-F133 HydrophobicContact CD2-CE1 3.83Å; L128-F133 HydrophobicContact CD1-CE2 4.08Å; L128-F133 HydrophobicContact CD1-CZ 3.75Å; T131-F133 PolarHBondContact O-N 3.5Å; T131-F133 VanDerWaalsContact O-N 3.09Å; F133-P135 VanDerWaalsContact C-CD 3.46Å; F133-P135 VanDerWaalsContact C-N 3.34Å; F133-M136 HydrophobicContact CD1-CE 3.88Å; F133-M136 PolarHBondContact O-N 3.41Å; F133-L139 HydrophobicContact CB-CD1 4.24Å; F133-L139 HydrophobicContact CD1-CD1 4.2Å; F133-L139 HydrophobicContact CG-CD1 4.48Å; F133-V142 HydrophobicContact CE1-CG1 4.42Å; F133-V142 HydrophobicContact CZ-CG1 4.2Å; F133-L144 HydrophobicContact CE2-CD1 4.46Å; F133-L144 HydrophobicContact CZ-CD1 4.18Å; F133-L144 HydrophobicContact CZ-CD2 4.19Å; F133-L156 HydrophobicContact CD2-CD1 3.73Å; F133-L156 HydrophobicContact CD2-CG 3.9Å; F133-L156 WeakPolarHBondContact CD2-O 3.26Å; F133-L156 HydrophobicContact CE2-CD1 3.66Å; F133-L156 HydrophobicContact CE2-CD2 4.2Å; F133-L156 HydrophobicContact CE2-CG 3.77Å; F133-F157 AromaticContact CD2-CD1 3.87Å; F133-F157 HydrophobicContact CD2-CD1 3.87Å; F133-F157 AromaticContact CD2-CE1 3.91Å; F133-F157 HydrophobicContact CD2-CE1 3.91Å; F133-F157 HydrophobicContact CE2-CD1 4.07Å; F133-F157 AromaticContact CE2-CE1 3.6Å; F133-F157 HydrophobicContact CE2-CE1 3.6Å; F133-L160 HydrophobicContact CB-CD1 3.92Å; F133-L160 HydrophobicContact CB-CD2 4.21Å; F133-L160 HydrophobicContact CD2-CD1 4.49Å; F133-L160 HydrophobicContact CG-CD1 4.4Å
134	R	94.6	Very high	97	Very high	120 Å²	120	42.1 Å²	42.1	45%	0.453	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.2	-179.7	-61	-173.6	-176.8	-159.8	-7.7	113.8	N130 T131 M136 D155	N130-R134 PolarHBondContact O-NE 2.87Å; T131-R134 WeakPolarHBondContact O-CB 3.27Å; T131-R134 PolarHBondContact O-N 2.67Å; R134-M136 PolarHBondContact O-N 2.89Å; R134-D155 IonicContact NH2-OD2 2.87Å
135	P	95.1	Very high	97	Very high	24 Å²	24	39.1 Å²	39.1	16%	0.156	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.8	174	-25.3	36	0	0	0	115.7	F109 R113 T131 F133 P137	F109-P135 WeakPolarHBondContact O-CB 3.13Å; R113-P135 WeakPolarHBondContact CA-O 3.31Å; T131-P135 VanDerWaalsContact O-CD 3.26Å; T131-P135 WeakPolarHBondContact O-CD 3.03Å; F133-P135 VanDerWaalsContact C-CD 3.46Å; F133-P135 VanDerWaalsContact C-N 3.34Å; P135-P137 VanDerWaalsContact O-CD 3.23Å; P135-P137 WeakPolarHBondContact O-CD 3.06Å
136	M	96.9	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.			trans	-120.6	56.8	-168	-59.6	-179.1	-75.4	0	0	113.4	F109 L112 V115 L118 F133 R134 N138 L139	F109-M136 HydrophobicContact CB-CE 3.46Å; F109-M136 VanDerWaalsContact CB-CE 3.46Å; F109-M136 HydrophobicContact CB-CG 4.44Å; F109-M136 HydrophobicContact CB-SD 3.84Å; F109-M136 HydrophobicContact CD1-CE 4.25Å; F109-M136 HydrophobicContact CD1-SD 4.46Å; F109-M136 HydrophobicContact CD2-CE 3.64Å; F109-M136 HydrophobicContact CE2-CE 4.44Å; F109-M136 HydrophobicContact CG-CE 3.52Å; F109-M136 HydrophobicContact CG-SD 4.14Å; L112-M136 HydrophobicContact CB-CG 3.84Å; L112-M136 HydrophobicContact CB-SD 4.07Å; L112-M136 HydrophobicContact CD1-SD 4.29Å; V115-M136 HydrophobicContact CB-CG 4.46Å; V115-M136 HydrophobicContact CB-SD 4.15Å; V115-M136 HydrophobicContact CG1-SD 4.17Å; L118-M136 HydrophobicContact CD2-CE 3.83Å; L118-M136 HydrophobicContact CD2-SD 4.43Å; F133-M136 HydrophobicContact CD1-CE 3.88Å; F133-M136 PolarHBondContact O-N 3.41Å; R134-M136 PolarHBondContact O-N 2.89Å; M136-N138 PolarHBondContact O-N 3.11Å; M136-L139 HydrophobicContact CB-CD1 3.71Å; M136-L139 HydrophobicContact CB-CG 3.84Å; M136-L139 HydrophobicContact CE-CD1 4.22Å; M136-L139 WeakPolarHBondContact O-CG 3.44Å; M136-L139 PolarHBondContact O-N 3.01Å; M136-L139 VanDerWaalsContact O-N 3.13Å
137	P	96.3	Very high	97.1	Very high	58 Å²	58	43 Å²	43	38%	0.377	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	5.1	-175.7	32.3	-39.1	0	0	0	114.9	P135	P135-P137 VanDerWaalsContact O-CD 3.23Å; P135-P137 WeakPolarHBondContact O-CD 3.06Å
138	N	97.9	Very high	97.2	Very high	51 Å²	51	41.1 Å²	41.1	27%	0.273	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	4.2	175.8	-72.9	-61.6	0	0	0	114	R113 V115 M136 K162	R113-N138 PolarHBondContact O-ND2 3.29Å; V115-N138 CarbonylContact O-C 3.39Å; M136-N138 PolarHBondContact O-N 3.11Å; N138-K162 PolarHBondContact OD1-NZ 3.1Å
139	L	98.4	Very high	97.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.197	C	C	.	.			trans	-51.7	142.8	172.6	-78	166.6	0	0	0	112.1	V115 L118 F133 M136 V142 L160 K162 L163	V115-L139 HydrophobicContact CG1-CD2 3.98Å; V115-L139 PolarHBondContact O-N 3.31Å; L118-L139 HydrophobicContact CB-CD2 3.95Å; F133-L139 HydrophobicContact CB-CD1 4.24Å; F133-L139 HydrophobicContact CD1-CD1 4.2Å; F133-L139 HydrophobicContact CG-CD1 4.48Å; M136-L139 HydrophobicContact CB-CD1 3.71Å; M136-L139 HydrophobicContact CB-CG 3.84Å; M136-L139 HydrophobicContact CE-CD1 4.22Å; M136-L139 WeakPolarHBondContact O-CG 3.44Å; M136-L139 PolarHBondContact O-N 3.01Å; M136-L139 VanDerWaalsContact O-N 3.13Å; L139-V142 HydrophobicContact CB-CG2 4.34Å; L139-V142 HydrophobicContact CD1-CG2 3.82Å; L139-V142 HydrophobicContact CD2-CG2 3.92Å; L139-V142 HydrophobicContact CG-CG2 4.24Å; L139-L160 HydrophobicContact CD1-CD1 4.46Å; L139-L160 HydrophobicContact CD1-CD2 4.2Å; L139-K162 CarbonylContact O-C 3.03Å; L139-K162 WeakPolarHBondContact O-CB 3.24Å; L139-L163 HydrophobicContact CB-CD1 4.32Å; L139-L163 WeakPolarHBondContact O-CA 3.45Å; L139-L163 PolarHBondContact O-N 2.73Å; L139-L163 VanDerWaalsContact O-N 3.1Å
140	R	98.6	Very high	97.3	Very high	134 Å²	134	43.7 Å²	43.7	51%	0.506	21%	0.206	S	C	.	.			trans	-132.5	-40	-179	-62.9	-174.2	175.9	-157.9	-5.7	110.9	K116 T164 T165	K116-R140 HydrophobicContact CB-CG 4.28Å; K116-R140 WeakPolarHBondContact O-CA 3.35Å; K116-R140 WeakPolarHBondContact O-CB 3.38Å; K116-R140 PolarHBondContact O-N 2.98Å; R140-T164 WeakPolarHBondContact O-CA 3.24Å; R140-T164 PolarHBondContact O-N 2.99Å; R140-T164 PolarHBondContact O-OG1 2.79Å; R140-T165 PolarHBondContact O-N 3.19Å; R140-T165 PolarHBondContact O-OG1 3.44Å
141	S	98.8	Very high	97.4	Very high	23 Å²	23	43 Å²	43	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.4	170.2	-164.7	0	0	0	0	110.4	K116 E117 L118 T165	K116-S141 PolarHBondContact O-N 3Å; E117-S141 WeakPolarHBondContact CA-O 3.47Å; L118-S141 PolarHBondContact N-O 3.42Å; L118-S141 VanDerWaalsContact N-O 3.14Å; S141-T165 WeakPolarHBondContact CA-O 3.16Å; S141-T165 VanDerWaalsContact CA-OG1 3.26Å; S141-T165 WeakPolarHBondContact CA-OG1 3.46Å; S141-T165 WeakPolarHBondContact CB-OG1 3.37Å; S141-T165 PolarHBondContact OG-OG1 2.97Å
142	V	98.8	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.3	170.2	171.8	0	0	0	0	107.7	L118 F133 L139 L144 L163 T165 L166 H167	L118-V142 WeakPolarHBondContact O-CA 3.38Å; F133-V142 HydrophobicContact CE1-CG1 4.42Å; F133-V142 HydrophobicContact CZ-CG1 4.2Å; L139-V142 HydrophobicContact CB-CG2 4.34Å; L139-V142 HydrophobicContact CD1-CG2 3.82Å; L139-V142 HydrophobicContact CD2-CG2 3.92Å; L139-V142 HydrophobicContact CG-CG2 4.24Å; V142-L144 HydrophobicContact CG1-CD1 4.31Å; V142-L144 HydrophobicContact CG1-CD2 4.19Å; V142-L144 HydrophobicContact CG1-CG 3.94Å; V142-L163 HydrophobicContact CB-CD1 4.13Å; V142-L163 HydrophobicContact CG2-CD1 3.71Å; V142-T165 PolarHBondContact N-O 2.93Å; V142-T165 VanDerWaalsContact N-O 3.16Å; V142-L166 HydrophobicContact CB-CD1 3.92Å; V142-L166 HydrophobicContact CG1-CD1 3.87Å; V142-L166 WeakPolarHBondContact O-CA 3.36Å; V142-H167 PolarHBondContact O-N 3.15Å
143	D	98.8	Very high	97.5	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.2	176.2	175.5	26.2	0	0	0	110.7	L118 T119 L120 S121 S145 H167	L118-D143 PolarHBondContact O-N 2.98Å; T119-D143 PolarHBondContact OG1-OD2 3.22Å; T119-D143 VanDerWaalsContact OG1-OD2 3.04Å; L120-D143 PolarHBondContact N-O 2.89Å; S121-D143 WeakPolarHBondContact CB-OD2 3.33Å; S121-D143 PolarHBondContact OG-OD2 3.32Å; D143-S145 WeakPolarHBondContact OD1-CB 3.38Å; D143-S145 PolarHBondContact OD1-N 3.25Å; D143-S145 PolarHBondContact OD1-OG 3.03Å; D143-H167 HydrophobicContact CB-CB 4.3Å; D143-H167 WeakPolarHBondContact OD1-CB 3.34Å
144	L	98.7	Very high	97.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.226	C	C	.	.			trans	-119.9	15.6	179	-55	177.4	0	0	0	110.8	L120 L128 F133 V142 N147 L149 H167 M168 N171	L120-L144 HydrophobicContact CB-CD2 4.09Å; L120-L144 HydrophobicContact CD1-CD2 3.84Å; L128-L144 HydrophobicContact CD1-CD1 3.81Å; L128-L144 HydrophobicContact CD1-CD2 4.06Å; F133-L144 HydrophobicContact CE2-CD1 4.46Å; F133-L144 HydrophobicContact CZ-CD1 4.18Å; F133-L144 HydrophobicContact CZ-CD2 4.19Å; V142-L144 HydrophobicContact CG1-CD1 4.31Å; V142-L144 HydrophobicContact CG1-CD2 4.19Å; V142-L144 HydrophobicContact CG1-CG 3.94Å; L144-N147 WeakPolarHBondContact O-CB 3.31Å; L144-N147 PolarHBondContact O-ND2 3.06Å; L144-N147 VanDerWaalsContact O-ND2 3.13Å; L144-L149 HydrophobicContact CB-CD1 4.09Å; L144-L149 HydrophobicContact CD1-CD1 4.12Å; L144-H167 PolarHBondContact N-O 2.99Å; L144-M168 HydrophobicContact CB-CG 4.4Å; L144-M168 HydrophobicContact CD1-CG 4.33Å; L144-N171 PolarHBondContact O-ND2 3.15Å
145	S	98.8	Very high	97.4	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.063	22%	0.223	C	C	.	.			trans	-64.7	155.7	-173.9	-50.1	0	0	0	0	112.3	S121 S122 D143 N147 H167 R169	S121-S145 CarbonylContact C-O 3.5Å; S121-S145 WeakPolarHBondContact CA-O 3.4Å; S121-S145 WeakPolarHBondContact CB-O 3.48Å; S122-S145 PolarHBondContact N-O 2.91Å; D143-S145 WeakPolarHBondContact OD1-CB 3.38Å; D143-S145 PolarHBondContact OD1-N 3.25Å; D143-S145 PolarHBondContact OD1-OG 3.03Å; S145-N147 PolarHBondContact O-N 2.96Å; S145-N147 PolarHBondContact O-ND2 2.6Å; S145-H167 VanDerWaalsContact OG-CB 3.29Å; S145-H167 WeakPolarHBondContact OG-CB 3.43Å; S145-R169 CarbonylContact C-O 3.18Å; S145-R169 WeakPolarHBondContact CA-O 3.31Å
146	Y	98.6	Very high	97.5	Very high	133 Å²	133	42.2 Å²	42.2	52%	0.522	22%	0.217	S	C	.	.	S	Bend	trans	54.2	56.8	178.4	-54.2	-82.9	0	0	0	111.8	S122 N123 R169 A170	S122-Y146 VanDerWaalsContact CA-O 3.26Å; S122-Y146 WeakPolarHBondContact CA-O 3.42Å; S122-Y146 PolarHBondContact N-O 3.45Å; N123-Y146 PolarHBondContact N-O 2.87Å; Y146-R169 PolarHBondContact N-O 3.23Å; Y146-A170 VanDerWaalsContact CA-O 3.24Å; Y146-A170 WeakPolarHBondContact CA-O 3.35Å; Y146-A170 HydrophobicContact CD1-CB 3.4Å; Y146-A170 VanDerWaalsContact CD1-CB 3.4Å; Y146-A170 HydrophobicContact CE1-CB 3.55Å; Y146-A170 HydrophobicContact CG-CB 3.98Å; Y146-A170 PolarHBondContact N-O 3.04Å
147	N	98.8	Very high	97.5	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	-129.9	-168.6	176.2	-90.1	-81.9	0	0	0	109.6	L120 N123 Q124 I125 L144 S145 L149 A170 N171	L120-N147 PolarHBondContact O-ND2 3.21Å; N123-N147 WeakPolarHBondContact CB-OD1 3.22Å; Q124-N147 PolarHBondContact N-OD1 3.39Å; I125-N147 VanDerWaalsContact CB-OD1 3.31Å; I125-N147 WeakPolarHBondContact CB-OD1 3.31Å; I125-N147 WeakPolarHBondContact CG1-OD1 3.34Å; I125-N147 PolarHBondContact N-OD1 2.98Å; L144-N147 WeakPolarHBondContact O-CB 3.31Å; L144-N147 PolarHBondContact O-ND2 3.06Å; L144-N147 VanDerWaalsContact O-ND2 3.13Å; S145-N147 PolarHBondContact O-N 2.96Å; S145-N147 PolarHBondContact O-ND2 2.6Å; N147-L149 HydrophobicContact CB-CG 4.39Å; N147-A170 PolarHBondContact N-O 3.2Å; N147-N171 WeakPolarHBondContact CA-OD1 3.27Å; N147-N171 WeakPolarHBondContact CB-OD1 3.49Å; N147-N171 PolarHBondContact O-OD1 2.99Å
148	K	98.3	Very high	97.6	Very high	98 Å²	98	44.5 Å²	44.5	43%	0.426	22%	0.222	S	C	.	.			trans	-117.1	23.6	-175.9	-61.5	179.1	178.5	178.4	0	112.1	Q124 I125 T126 Q150 N171	Q124-K148 HydrophobicContact CB-CD 4.23Å; I125-K148 CarbonylContact O-C 3.52Å; I125-K148 VanDerWaalsContact O-CA 3.31Å; I125-K148 WeakPolarHBondContact O-CA 3.06Å; I125-K148 PolarHBondContact O-N 2.87Å; T126-K148 WeakPolarHBondContact CA-O 3.44Å; T126-K148 HydrophobicContact CG2-CB 3.97Å; K148-Q150 PolarHBondContact O-N 3.13Å; K148-N171 PolarHBondContact N-OD1 3.4Å
149	L	98.2	Very high	97.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.22	C	C	.	.			trans	-64	116.9	-175.2	-62.1	172.3	0	0	0	110.6	I125 T126 L128 L144 N147 N171 A172 I173	I125-L149 HydrophobicContact CB-CD2 4.42Å; I125-L149 HydrophobicContact CG2-CD2 3.83Å; I125-L149 PolarHBondContact O-N 2.98Å; I125-L149 VanDerWaalsContact O-N 3.15Å; T126-L149 WeakPolarHBondContact O-CA 3.3Å; L128-L149 HydrophobicContact CG-CD2 4.2Å; L144-L149 HydrophobicContact CB-CD1 4.09Å; L144-L149 HydrophobicContact CD1-CD1 4.12Å; N147-L149 HydrophobicContact CB-CG 4.39Å; L149-N171 HydrophobicContact CB-CB 4.24Å; L149-N171 VanDerWaalsContact CB-OD1 3.24Å; L149-N171 WeakPolarHBondContact CB-OD1 3.22Å; L149-N171 VanDerWaalsContact CG-OD1 3.32Å; L149-N171 WeakPolarHBondContact CG-OD1 3.23Å; L149-N171 PolarHBondContact N-OD1 2.99Å; L149-A172 CarbonylContact O-C 3.17Å; L149-A172 VanDerWaalsContact O-CA 3.3Å; L149-A172 WeakPolarHBondContact O-CA 3.3Å; L149-A172 PolarHBondContact O-N 3.3Å; L149-I173 HydrophobicContact CB-CG1 4.21Å; L149-I173 WeakPolarHBondContact O-CG1 3.31Å; L149-I173 PolarHBondContact O-N 2.89Å; L149-I173 VanDerWaalsContact O-N 3.08Å
150	Q	96.3	Very high	97.4	Very high	108 Å²	108	43.2 Å²	43.2	51%	0.505	22%	0.221	S	C	.	.			trans	-93.7	-28.8	-179.9	-66	176.5	5.3	0	0	113.1	T126 K148 A172 I173 Q174	T126-Q150 PolarHBondContact O-N 3.46Å; K148-Q150 PolarHBondContact O-N 3.13Å; Q150-A172 WeakPolarHBondContact CA-O 3.39Å; Q150-A172 HydrophobicContact CG-CB 4.03Å; Q150-I173 WeakPolarHBondContact O-CA 3.42Å; Q150-Q174 PolarHBondContact O-N 2.93Å
151	A	95.8	Very high	97.4	Very high	36 Å²	36	43.5 Å²	43.5	30%	0.298	22%	0.222	S	C	.	.			trans	-146.8	152.1	-179.4	0	0	0	0	0	110.2	F175	A151-F175 HydrophobicContact CB-CE1 3.91Å; A151-F175 HydrophobicContact CB-CZ 3.71Å
152	L	97.1	Very high	97.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.235	C	C	.	.			trans	-102.7	133.4	172.6	-58	176.6	0	0	0	109.3	L156 M168 I173 P177 I180	L152-L156 HydrophobicContact CD2-CD2 4.33Å; L152-M168 HydrophobicContact CD1-CE 3.87Å; L152-M168 HydrophobicContact CD1-SD 3.92Å; L152-M168 HydrophobicContact CD2-SD 3.9Å; L152-I173 HydrophobicContact CD1-CD1 4.28Å; L152-I173 HydrophobicContact CD1-CG2 4.46Å; L152-I173 HydrophobicContact CD2-CD1 3.94Å; L152-I173 HydrophobicContact CD2-CG1 4.48Å; L152-I173 HydrophobicContact CG-CD1 4.16Å; L152-I173 HydrophobicContact CG-CG2 4.25Å; L152-P177 HydrophobicContact CB-CG 4.26Å; L152-P177 VanDerWaalsContact O-CG 3.29Å; L152-P177 WeakPolarHBondContact O-CG 3.42Å; L152-I180 HydrophobicContact CB-CD1 3.5Å; L152-I180 HydrophobicContact CD1-CD1 3.97Å; L152-I180 HydrophobicContact CG-CD1 4.37Å
153	A	95.9	Very high	97.3	Very high	24 Å²	24	47.2 Å²	47.2	20%	0.198	24%	0.235	C	C	.	.			trans	-73.1	137.8	176.4	0	0	0	0	0	110.3	N130 D155 L156	N130-A153 WeakPolarHBondContact OD1-CB 3.42Å; A153-D155 VanDerWaalsContact C-N 3.3Å; A153-D155 PolarHBondContact O-N 3.23Å; A153-D155 VanDerWaalsContact O-N 3.12Å; A153-L156 HydrophobicContact CB-CB 4.38Å; A153-L156 WeakPolarHBondContact O-CB 3.42Å; A153-L156 PolarHBondContact O-N 3.31Å
154	P	94.1	Very high	97.3	Very high	80 Å²	80	48 Å²	48	52%	0.519	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.5	-165.7	-29.2	36.4	0	0	0	116.7
155	D	95.4	Very high	97.3	Very high	74 Å²	74	49.8 Å²	49.8	40%	0.396	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.6	179.6	-62.3	-41.4	0	0	0	112.8	N130 R134 A153 F157 H158	N130-D155 HydrophobicContact CB-CB 4.31Å; N130-D155 WeakPolarHBondContact OD1-CA 3.25Å; N130-D155 PolarHBondContact OD1-N 3.25Å; R134-D155 IonicContact NH2-OD2 2.87Å; A153-D155 VanDerWaalsContact C-N 3.3Å; A153-D155 PolarHBondContact O-N 3.23Å; A153-D155 VanDerWaalsContact O-N 3.12Å; D155-F157 PolarHBondContact O-N 3.15Å; D155-F157 VanDerWaalsContact O-N 3.16Å; D155-H158 HydrophobicContact CB-CB 4.1Å; D155-H158 WeakPolarHBondContact O-CB 3.4Å; D155-H158 PolarHBondContact O-N 2.92Å
156	L	97.4	Very high	97.3	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.7	-171.6	-178.9	60.7	0	0	0	112.7	L128 P129 N130 F133 L152 A153	L128-L156 HydrophobicContact CB-CD1 3.81Å; L128-L156 HydrophobicContact CB-CD2 4.18Å; L128-L156 HydrophobicContact CD1-CD2 4.43Å; P129-L156 WeakPolarHBondContact O-CD1 3.49Å; N130-L156 PolarHBondContact OD1-N 2.92Å; F133-L156 HydrophobicContact CD2-CD1 3.73Å; F133-L156 HydrophobicContact CD2-CG 3.9Å; F133-L156 WeakPolarHBondContact CD2-O 3.26Å; F133-L156 HydrophobicContact CE2-CD1 3.66Å; F133-L156 HydrophobicContact CE2-CD2 4.2Å; F133-L156 HydrophobicContact CE2-CG 3.77Å; L152-L156 HydrophobicContact CD2-CD2 4.33Å; A153-L156 HydrophobicContact CB-CB 4.38Å; A153-L156 WeakPolarHBondContact O-CB 3.42Å; A153-L156 PolarHBondContact O-N 3.31Å
157	F	97.7	Very high	97.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	14.8	179.3	-51.6	-56.3	0	0	0	113.8	F133 D155 G159 L160 L166 M168 I180 F181	F133-F157 AromaticContact CD2-CD1 3.87Å; F133-F157 HydrophobicContact CD2-CD1 3.87Å; F133-F157 AromaticContact CD2-CE1 3.91Å; F133-F157 HydrophobicContact CD2-CE1 3.91Å; F133-F157 HydrophobicContact CE2-CD1 4.07Å; F133-F157 AromaticContact CE2-CE1 3.6Å; F133-F157 HydrophobicContact CE2-CE1 3.6Å; D155-F157 PolarHBondContact O-N 3.15Å; D155-F157 VanDerWaalsContact O-N 3.16Å; F157-G159 PolarHBondContact O-N 3.03Å; F157-L160 HydrophobicContact CB-CD1 4.06Å; F157-L160 HydrophobicContact CD1-CD1 3.9Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.43Å; F157-L160 WeakPolarHBondContact O-CG 3.47Å; F157-L160 PolarHBondContact O-N 3.37Å; F157-L166 HydrophobicContact CD2-CD2 4.21Å; F157-L166 HydrophobicContact CE1-CD1 4.1Å; F157-L166 HydrophobicContact CE1-CD2 4.17Å; F157-L166 HydrophobicContact CE2-CD2 3.83Å; F157-L166 HydrophobicContact CZ-CD1 4.12Å; F157-L166 HydrophobicContact CZ-CD2 3.81Å; F157-M168 HydrophobicContact CE2-CE 4.43Å; F157-M168 HydrophobicContact CE2-SD 4Å; F157-M168 HydrophobicContact CZ-SD 3.68Å; F157-I180 HydrophobicContact CD2-CD1 4.02Å; F157-I180 HydrophobicContact CD2-CG1 3.95Å; F157-I180 HydrophobicContact CE2-CD1 4.06Å; F157-I180 HydrophobicContact CE2-CG1 4.49Å; F157-F181 AromaticContact CD2-CD1 4Å; F157-F181 HydrophobicContact CD2-CD1 4Å; F157-F181 AromaticContact CD2-CE1 3.72Å; F157-F181 HydrophobicContact CD2-CE1 3.72Å; F157-F181 AromaticContact CE2-CE1 3.82Å; F157-F181 HydrophobicContact CE2-CE1 3.82Å
158	H	96.4	Very high	97.3	Very high	106 Å²	106	44.7 Å²	44.7	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	129	-179.4	178.1	-80.6	0	0	0	111.9	D155 L160	D155-H158 HydrophobicContact CB-CB 4.1Å; D155-H158 WeakPolarHBondContact O-CB 3.4Å; D155-H158 PolarHBondContact O-N 2.92Å; H158-L160 VanDerWaalsContact C-N 3.32Å; H158-L160 PolarHBondContact O-N 2.86Å
159	G	95.4	Very high	97.3	Very high	23 Å²	23	42.3 Å²	42.3	24%	0.237	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-1.5	178.5	0	0	0	0	0	115.8	F157 R161 D183	F157-G159 PolarHBondContact O-N 3.03Å; G159-R161 PolarHBondContact O-N 3.09Å; G159-D183 WeakPolarHBondContact CA-OD2 3.4Å
160	L	97.6	Very high	97.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.228	C	C	.	.			trans	-76.3	50.1	-179.1	-58.9	-173.2	0	0	0	113.6	F133 L139 F157 H158 K162 L163	F133-L160 HydrophobicContact CB-CD1 3.92Å; F133-L160 HydrophobicContact CB-CD2 4.21Å; F133-L160 HydrophobicContact CD2-CD1 4.49Å; F133-L160 HydrophobicContact CG-CD1 4.4Å; L139-L160 HydrophobicContact CD1-CD1 4.46Å; L139-L160 HydrophobicContact CD1-CD2 4.2Å; F157-L160 HydrophobicContact CB-CD1 4.06Å; F157-L160 HydrophobicContact CD1-CD1 3.9Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.43Å; F157-L160 WeakPolarHBondContact O-CG 3.47Å; F157-L160 PolarHBondContact O-N 3.37Å; H158-L160 VanDerWaalsContact C-N 3.32Å; H158-L160 PolarHBondContact O-N 2.86Å; L160-K162 PolarHBondContact O-N 3.1Å; L160-L163 HydrophobicContact CB-CB 4.18Å; L160-L163 HydrophobicContact CB-CD2 4.5Å; L160-L163 HydrophobicContact CD1-CD2 4.31Å; L160-L163 VanDerWaalsContact O-CB 3.27Å; L160-L163 WeakPolarHBondContact O-CB 3.29Å; L160-L163 PolarHBondContact O-N 3.41Å
161	R	97.7	Very high	97.5	Very high	140 Å²	140	38.9 Å²	38.9	53%	0.528	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.9	-174.2	-64.1	174.9	-174.8	179.9	3.4	115.4	G159 D183 S186	G159-R161 PolarHBondContact O-N 3.09Å; R161-D183 VanDerWaalsContact CA-O 3.28Å; R161-D183 WeakPolarHBondContact CA-O 3.46Å; R161-D183 HydrophobicContact CG-CB 4.48Å; R161-D183 WeakPolarHBondContact CG-O 3.27Å; R161-D183 IonicContact CZ-OD1 3.43Å; R161-D183 IonicContact CZ-OD2 2.74Å; R161-D183 VanDerWaalsContact CZ-OD2 3.26Å; R161-D183 IonicContact NE-OD1 2.72Å; R161-D183 PolarHBondContact NE-OD1 2.87Å; R161-D183 IonicContact NE-OD2 3.58Å; R161-D183 PolarHBondContact NE-OD2 3.2Å; R161-D183 IonicContact NH2-OD1 3.36Å; R161-D183 IonicContact NH2-OD2 3.89Å; R161-D183 PolarHBondContact NH2-OD2 2.96Å; R161-S186 VanDerWaalsContact O-CB 3.29Å; R161-S186 WeakPolarHBondContact O-CB 3.5Å; R161-S186 PolarHBondContact O-OG 3.14Å
162	K	98.3	Very high	97.6	Very high	102 Å²	102	38.1 Å²	38.1	44%	0.443	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-3.9	-179.7	-64.7	178.5	-173	176.4	0	113.6	N138 L139 L160 T164	N138-K162 PolarHBondContact OD1-NZ 3.1Å; L139-K162 CarbonylContact O-C 3.03Å; L139-K162 WeakPolarHBondContact O-CB 3.24Å; L160-K162 PolarHBondContact O-N 3.1Å; K162-T164 PolarHBondContact O-N 2.66Å
163	L	98.6	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.			trans	-61	131.9	176.8	-164.8	66.8	0	0	0	109.3	L139 V142 L160 L166 S186 L187	L139-L163 HydrophobicContact CB-CD1 4.32Å; L139-L163 WeakPolarHBondContact O-CA 3.45Å; L139-L163 PolarHBondContact O-N 2.73Å; L139-L163 VanDerWaalsContact O-N 3.1Å; V142-L163 HydrophobicContact CB-CD1 4.13Å; V142-L163 HydrophobicContact CG2-CD1 3.71Å; L160-L163 HydrophobicContact CB-CB 4.18Å; L160-L163 HydrophobicContact CB-CD2 4.5Å; L160-L163 HydrophobicContact CD1-CD2 4.31Å; L160-L163 VanDerWaalsContact O-CB 3.27Å; L160-L163 WeakPolarHBondContact O-CB 3.29Å; L160-L163 PolarHBondContact O-N 3.41Å; L163-L166 HydrophobicContact CD2-CB 4.18Å; L163-L166 HydrophobicContact CD2-CD2 4.3Å; L163-S186 CarbonylContact O-C 3.03Å; L163-S186 WeakPolarHBondContact O-CB 3.18Å; L163-L187 HydrophobicContact CB-CD1 4.37Å; L163-L187 HydrophobicContact CD2-CD1 3.99Å; L163-L187 HydrophobicContact CG-CD1 3.78Å; L163-L187 VanDerWaalsContact O-CA 3.29Å; L163-L187 WeakPolarHBondContact O-CA 3.13Å; L163-L187 PolarHBondContact O-N 3.08Å
164	T	98.7	Very high	97.7	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	21%	0.212	S	C	.	.			trans	-120.8	-29.9	-177.9	49.9	0	0	0	0	112.9	R140 K162 K188 F189	R140-T164 WeakPolarHBondContact O-CA 3.24Å; R140-T164 PolarHBondContact O-N 2.99Å; R140-T164 PolarHBondContact O-OG1 2.79Å; K162-T164 PolarHBondContact O-N 2.66Å; T164-K188 PolarHBondContact O-N 3.44Å; T164-F189 PolarHBondContact O-N 2.81Å
165	T	98.8	Very high	97.8	Very high	39 Å²	39	42.5 Å²	42.5	24%	0.239	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.2	179	45	0	0	0	0	109	R140 S141 V142 F189	R140-T165 PolarHBondContact O-N 3.19Å; R140-T165 PolarHBondContact O-OG1 3.44Å; S141-T165 WeakPolarHBondContact CA-O 3.16Å; S141-T165 VanDerWaalsContact CA-OG1 3.26Å; S141-T165 WeakPolarHBondContact CA-OG1 3.46Å; S141-T165 WeakPolarHBondContact CB-OG1 3.37Å; S141-T165 PolarHBondContact OG-OG1 2.97Å; V142-T165 PolarHBondContact N-O 2.93Å; V142-T165 VanDerWaalsContact N-O 3.16Å; T165-F189 HydrophobicContact CG2-CB 4.12Å
166	L	98.8	Very high	97.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.6	175	176.4	58.2	0	0	0	109.5	V142 F157 L163 M168 F181 L187 F189 L190 D191	V142-L166 HydrophobicContact CB-CD1 3.92Å; V142-L166 HydrophobicContact CG1-CD1 3.87Å; V142-L166 WeakPolarHBondContact O-CA 3.36Å; F157-L166 HydrophobicContact CD2-CD2 4.21Å; F157-L166 HydrophobicContact CE1-CD1 4.1Å; F157-L166 HydrophobicContact CE1-CD2 4.17Å; F157-L166 HydrophobicContact CE2-CD2 3.83Å; F157-L166 HydrophobicContact CZ-CD1 4.12Å; F157-L166 HydrophobicContact CZ-CD2 3.81Å; L163-L166 HydrophobicContact CD2-CB 4.18Å; L163-L166 HydrophobicContact CD2-CD2 4.3Å; L166-M168 HydrophobicContact CD1-CG 4.07Å; L166-M168 HydrophobicContact CD1-SD 4.37Å; L166-M168 HydrophobicContact CD2-CE 4.04Å; L166-M168 HydrophobicContact CD2-SD 4.27Å; L166-M168 HydrophobicContact CG-CE 4.35Å; L166-M168 HydrophobicContact CG-CG 4.21Å; L166-M168 HydrophobicContact CG-SD 4.39Å; L166-F181 HydrophobicContact CD2-CD1 4.41Å; L166-F181 HydrophobicContact CD2-CE1 3.69Å; L166-L187 HydrophobicContact CB-CD1 3.85Å; L166-L187 HydrophobicContact CB-CD2 4.47Å; L166-F189 PolarHBondContact N-O 3.07Å; L166-F189 VanDerWaalsContact N-O 3.07Å; L166-L190 HydrophobicContact CB-CD1 4.09Å; L166-L190 HydrophobicContact CD2-CD1 3.89Å; L166-L190 HydrophobicContact CG-CD1 4Å; L166-L190 WeakPolarHBondContact O-CA 3.43Å; L166-D191 PolarHBondContact O-N 3.36Å
167	H	98.8	Very high	97.8	Very high	49 Å²	49	39.8 Å²	39.8	23%	0.227	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	179	-51.6	-102.4	0	0	0	109.5	V142 D143 L144 S145 F189	V142-H167 PolarHBondContact O-N 3.15Å; D143-H167 HydrophobicContact CB-CB 4.3Å; D143-H167 WeakPolarHBondContact OD1-CB 3.34Å; L144-H167 PolarHBondContact N-O 2.99Å; S145-H167 VanDerWaalsContact OG-CB 3.29Å; S145-H167 WeakPolarHBondContact OG-CB 3.43Å; H167-F189 AromaticContact CE1-CD1 3.57Å; H167-F189 AromaticContact CE1-CE1 3.3Å; H167-F189 WeakPolarHBondContact CE1-CE1 3.1Å; H167-F189 AromaticContact ND1-CD1 4Å; H167-F189 AromaticContact ND1-CE1 3.42Å; H167-F189 WeakPolarHBondContact ND1-CE1 3.1Å
168	M	98.4	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.			trans	-134.2	24.4	177	-59.2	-174.1	-65.2	0	0	110.5	L144 L152 F157 L166 N171 I173 F181 L190 D191 I192 N195	L144-M168 HydrophobicContact CB-CG 4.4Å; L144-M168 HydrophobicContact CD1-CG 4.33Å; L152-M168 HydrophobicContact CD1-CE 3.87Å; L152-M168 HydrophobicContact CD1-SD 3.92Å; L152-M168 HydrophobicContact CD2-SD 3.9Å; F157-M168 HydrophobicContact CE2-CE 4.43Å; F157-M168 HydrophobicContact CE2-SD 4Å; F157-M168 HydrophobicContact CZ-SD 3.68Å; L166-M168 HydrophobicContact CD1-CG 4.07Å; L166-M168 HydrophobicContact CD1-SD 4.37Å; L166-M168 HydrophobicContact CD2-CE 4.04Å; L166-M168 HydrophobicContact CD2-SD 4.27Å; L166-M168 HydrophobicContact CG-CE 4.35Å; L166-M168 HydrophobicContact CG-CG 4.21Å; L166-M168 HydrophobicContact CG-SD 4.39Å; M168-N171 PolarHBondContact O-ND2 3.35Å; M168-N171 VanDerWaalsContact O-ND2 3.11Å; M168-I173 HydrophobicContact CB-CD1 4.12Å; M168-I173 HydrophobicContact SD-CD1 4.48Å; M168-F181 HydrophobicContact CE-CE1 4.35Å; M168-F181 HydrophobicContact CE-CZ 4.01Å; M168-L190 HydrophobicContact CE-CD1 4.14Å; M168-D191 CarbonylContact C-O 3.24Å; M168-D191 WeakPolarHBondContact CA-O 3.47Å; M168-D191 PolarHBondContact N-O 3.34Å; M168-I192 HydrophobicContact CE-CD1 3.8Å; M168-I192 HydrophobicContact CE-CG1 3.86Å; M168-I192 HydrophobicContact CE-CG2 4.39Å; M168-N195 PolarHBondContact O-ND2 3.28Å
169	R	98.5	Very high	97.5	Very high	47 Å²	47	45.1 Å²	45.1	18%	0.177	22%	0.219	C	C	.	.			trans	-59.1	151	-178.2	-164.2	-175	-168.3	75.1	2.4	111.5	S145 Y146 N171 D191 G193 E217	S145-R169 CarbonylContact C-O 3.18Å; S145-R169 WeakPolarHBondContact CA-O 3.31Å; Y146-R169 PolarHBondContact N-O 3.23Å; R169-N171 PolarHBondContact O-ND2 3.1Å; R169-N171 VanDerWaalsContact O-ND2 3.12Å; R169-D191 WeakPolarHBondContact CB-OD2 3.3Å; R169-D191 WeakPolarHBondContact CD-OD2 3.24Å; R169-D191 IonicContact CZ-OD2 2.7Å; R169-D191 IonicContact NE-OD2 2.67Å; R169-D191 IonicContact NH1-OD1 3.15Å; R169-D191 PolarHBondContact NH1-OD1 3.25Å; R169-D191 IonicContact NH1-OD2 3.18Å; R169-D191 PolarHBondContact NH1-OD2 3.02Å; R169-G193 VanDerWaalsContact CA-O 3.28Å; R169-G193 WeakPolarHBondContact CA-O 3.3Å; R169-E217 IonicContact CZ-OE1 3.43Å; R169-E217 VanDerWaalsContact CZ-OE1 3.22Å; R169-E217 IonicContact NH1-OE1 3.16Å; R169-E217 PolarHBondContact NH1-OE1 3.27Å; R169-E217 IonicContact NH2-OE1 2.81Å; R169-E217 PolarHBondContact NH2-OE1 2.96Å
170	A	98.6	Very high	97.6	Very high	23 Å²	23	44.3 Å²	44.3	19%	0.19	21%	0.209	C	C	.	.	S	Bend	trans	54.6	60.7	172.1	0	0	0	0	0	111.7	Y146 N147 G193 Y194	Y146-A170 VanDerWaalsContact CA-O 3.24Å; Y146-A170 WeakPolarHBondContact CA-O 3.35Å; Y146-A170 HydrophobicContact CD1-CB 3.4Å; Y146-A170 VanDerWaalsContact CD1-CB 3.4Å; Y146-A170 HydrophobicContact CE1-CB 3.55Å; Y146-A170 HydrophobicContact CG-CB 3.98Å; Y146-A170 PolarHBondContact N-O 3.04Å; N147-A170 PolarHBondContact N-O 3.2Å; A170-G193 PolarHBondContact N-O 3.12Å; A170-G193 VanDerWaalsContact N-O 3.08Å; A170-Y194 CarbonylContact C-O 3.53Å; A170-Y194 WeakPolarHBondContact CA-O 3.32Å; A170-Y194 PolarHBondContact N-O 3.2Å; A170-Y194 VanDerWaalsContact N-O 3.12Å
171	N	98.7	Very high	97.6	Very high	16 Å²	16	44.2 Å²	44.2	9%	0.086	21%	0.208	C	C	.	.	S	Bend	trans	-131.3	-169.7	175.2	-86.9	-83.7	0	0	0	108.7	L144 N147 K148 L149 M168 R169 I173 Y194 N195	L144-N171 PolarHBondContact O-ND2 3.15Å; N147-N171 WeakPolarHBondContact CA-OD1 3.27Å; N147-N171 WeakPolarHBondContact CB-OD1 3.49Å; N147-N171 PolarHBondContact O-OD1 2.99Å; K148-N171 PolarHBondContact N-OD1 3.4Å; L149-N171 HydrophobicContact CB-CB 4.24Å; L149-N171 VanDerWaalsContact CB-OD1 3.24Å; L149-N171 WeakPolarHBondContact CB-OD1 3.22Å; L149-N171 VanDerWaalsContact CG-OD1 3.32Å; L149-N171 WeakPolarHBondContact CG-OD1 3.23Å; L149-N171 PolarHBondContact N-OD1 2.99Å; M168-N171 PolarHBondContact O-ND2 3.35Å; M168-N171 VanDerWaalsContact O-ND2 3.11Å; R169-N171 PolarHBondContact O-ND2 3.1Å; R169-N171 VanDerWaalsContact O-ND2 3.12Å; N171-I173 HydrophobicContact CB-CD1 4.23Å; N171-I173 HydrophobicContact CB-CG1 4.1Å; N171-Y194 PolarHBondContact N-O 2.95Å; N171-N195 WeakPolarHBondContact CA-OD1 3.14Å; N171-N195 WeakPolarHBondContact CB-OD1 3.45Å; N171-N195 PolarHBondContact O-OD1 2.89Å
172	A	98.2	Very high	97.5	Very high	20 Å²	20	41.4 Å²	41.4	17%	0.165	20%	0.201	C	C	.	.			trans	-115.1	27.4	179.7	0	0	0	0	0	112.1	L149 Q150 Q174 N195	L149-A172 CarbonylContact O-C 3.17Å; L149-A172 VanDerWaalsContact O-CA 3.3Å; L149-A172 WeakPolarHBondContact O-CA 3.3Å; L149-A172 PolarHBondContact O-N 3.3Å; Q150-A172 WeakPolarHBondContact CA-O 3.39Å; Q150-A172 HydrophobicContact CG-CB 4.03Å; A172-Q174 PolarHBondContact O-N 3.07Å; A172-N195 PolarHBondContact N-OD1 3.08Å
173	I	98.3	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.			trans	-68.5	119.1	-170.9	-57.8	166.1	0	0	0	109.4	L149 Q150 L152 M168 N171 F175 I192 N195 Q196 L197	L149-I173 HydrophobicContact CB-CG1 4.21Å; L149-I173 WeakPolarHBondContact O-CG1 3.31Å; L149-I173 PolarHBondContact O-N 2.89Å; L149-I173 VanDerWaalsContact O-N 3.08Å; Q150-I173 WeakPolarHBondContact O-CA 3.42Å; L152-I173 HydrophobicContact CD1-CD1 4.28Å; L152-I173 HydrophobicContact CD1-CG2 4.46Å; L152-I173 HydrophobicContact CD2-CD1 3.94Å; L152-I173 HydrophobicContact CD2-CG1 4.48Å; L152-I173 HydrophobicContact CG-CD1 4.16Å; L152-I173 HydrophobicContact CG-CG2 4.25Å; M168-I173 HydrophobicContact CB-CD1 4.12Å; M168-I173 HydrophobicContact SD-CD1 4.48Å; N171-I173 HydrophobicContact CB-CD1 4.23Å; N171-I173 HydrophobicContact CB-CG1 4.1Å; I173-F175 VanDerWaalsContact CG2-O 3.32Å; I173-F175 WeakPolarHBondContact CG2-O 3.42Å; I173-I192 HydrophobicContact CD1-CG2 4.09Å; I173-N195 HydrophobicContact CB-CB 4.43Å; I173-N195 VanDerWaalsContact CB-OD1 3.24Å; I173-N195 WeakPolarHBondContact CB-OD1 3.26Å; I173-N195 VanDerWaalsContact CG1-OD1 3.29Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.46Å; I173-N195 PolarHBondContact N-OD1 3.22Å; I173-Q196 CarbonylContact O-C 3.15Å; I173-Q196 VanDerWaalsContact O-C 3.27Å; I173-Q196 WeakPolarHBondContact O-CA 3.46Å; I173-Q196 PolarHBondContact O-N 2.69Å; I173-L197 HydrophobicContact CG2-CD2 4.05Å; I173-L197 WeakPolarHBondContact O-CD2 3.47Å; I173-L197 PolarHBondContact O-N 2.92Å
174	Q	96.7	Very high	97.3	Very high	93 Å²	93	37.3 Å²	37.3	44%	0.435	18%	0.184	S	C	.	.			trans	-92.6	-22.2	-176.7	-63.2	-179.9	10.7	0	0	113.8	Q150 A172 Q196	Q150-Q174 PolarHBondContact O-N 2.93Å; A172-Q174 PolarHBondContact O-N 3.07Å; Q174-Q196 WeakPolarHBondContact CA-O 3.41Å; Q174-Q196 HydrophobicContact CG-CB 3.97Å
175	F	95.9	Very high	97.2	Very high	108 Å²	108	40.7 Å²	40.7	47%	0.474	19%	0.192	S	C	.	.			trans	-150	147.3	179.6	60.6	-86.7	0	0	0	112.1	A151 I173 P177	A151-F175 HydrophobicContact CB-CE1 3.91Å; A151-F175 HydrophobicContact CB-CZ 3.71Å; I173-F175 VanDerWaalsContact CG2-O 3.32Å; I173-F175 WeakPolarHBondContact CG2-O 3.42Å; F175-P177 HydrophobicContact CD2-CG 4.14Å; F175-P177 HydrophobicContact CE2-CG 4.05Å
176	V	96.9	Very high	97.2	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	19%	0.192	C	C	.	.			trans	-101	111	171	-178.1	0	0	0	0	109	I180 F181 I192 L197 S204	V176-I180 HydrophobicContact CG1-CG2 3.95Å; V176-F181 HydrophobicContact CG1-CE2 3.72Å; V176-F181 HydrophobicContact CG1-CZ 4.37Å; V176-I192 HydrophobicContact CG2-CD1 4.07Å; V176-L197 HydrophobicContact CG2-CD1 3.98Å; V176-L197 HydrophobicContact CG2-CD2 3.8Å; V176-S204 PolarHBondContact O-OG 3.01Å
177	P	96.1	Very high	97.1	Very high	14 Å²	14	40.4 Å²	40.4	9%	0.091	19%	0.192	C	C	.	.			trans	-59.5	141.2	-177.1	-21	30.2	0	0	0	113	L152 F175 R179 I180	L152-P177 HydrophobicContact CB-CG 4.26Å; L152-P177 VanDerWaalsContact O-CG 3.29Å; L152-P177 WeakPolarHBondContact O-CG 3.42Å; F175-P177 HydrophobicContact CD2-CG 4.14Å; F175-P177 HydrophobicContact CE2-CG 4.05Å; P177-R179 PolarHBondContact O-N 3.32Å; P177-I180 HydrophobicContact CB-CB 4.24Å; P177-I180 HydrophobicContact CG-CD1 4.13Å; P177-I180 WeakPolarHBondContact O-CB 3.25Å; P177-I180 VanDerWaalsContact O-CG2 3.29Å; P177-I180 WeakPolarHBondContact O-CG2 3.28Å; P177-I180 PolarHBondContact O-N 2.95Å
178	V	95.1	Very high	97.1	Very high	62 Å²	62	43.5 Å²	43.5	38%	0.376	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	130.8	178.5	172.5	0	0	0	0	110.3	I180 A201 N203	V178-I180 VanDerWaalsContact C-N 3.26Å; V178-I180 PolarHBondContact O-N 3.34Å; V178-A201 HydrophobicContact CG2-CB 3.68Å; V178-N203 HydrophobicContact CG1-CB 4.25Å
179	R	94.4	Very high	97.2	Very high	155 Å²	155	45.4 Å²	45.4	59%	0.585	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	13.1	-178.4	-63.5	178.9	-57.9	-105.7	-1.9	116.6	P177 F181 Q182 N203 A206	P177-R179 PolarHBondContact O-N 3.32Å; R179-F181 PolarHBondContact O-N 3.15Å; R179-Q182 HydrophobicContact CB-CB 4.07Å; R179-Q182 WeakPolarHBondContact O-CB 3.26Å; R179-Q182 PolarHBondContact O-N 3.1Å; R179-N203 PolarHBondContact N-O 3.33Å; R179-A206 HydrophobicContact CG-CB 4.41Å
180	I	96.8	Very high	97.2	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.1	177.1	-167	175.2	0	0	0	113.1	L152 F157 V176 P177 V178	L152-I180 HydrophobicContact CB-CD1 3.5Å; L152-I180 HydrophobicContact CD1-CD1 3.97Å; L152-I180 HydrophobicContact CG-CD1 4.37Å; F157-I180 HydrophobicContact CD2-CD1 4.02Å; F157-I180 HydrophobicContact CD2-CG1 3.95Å; F157-I180 HydrophobicContact CE2-CD1 4.06Å; F157-I180 HydrophobicContact CE2-CG1 4.49Å; V176-I180 HydrophobicContact CG1-CG2 3.95Å; P177-I180 HydrophobicContact CB-CB 4.24Å; P177-I180 HydrophobicContact CG-CD1 4.13Å; P177-I180 WeakPolarHBondContact O-CB 3.25Å; P177-I180 VanDerWaalsContact O-CG2 3.29Å; P177-I180 WeakPolarHBondContact O-CG2 3.28Å; P177-I180 PolarHBondContact O-N 2.95Å; V178-I180 VanDerWaalsContact C-N 3.26Å; V178-I180 PolarHBondContact O-N 3.34Å
181	F	96.9	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.8	178.7	-54.9	-58.4	0	0	0	114.9	F157 L166 M168 V176 R179 D183 C184 L190 I192 S204 F205 A206 L208	F157-F181 AromaticContact CD2-CD1 4Å; F157-F181 HydrophobicContact CD2-CD1 4Å; F157-F181 AromaticContact CD2-CE1 3.72Å; F157-F181 HydrophobicContact CD2-CE1 3.72Å; F157-F181 AromaticContact CE2-CE1 3.82Å; F157-F181 HydrophobicContact CE2-CE1 3.82Å; L166-F181 HydrophobicContact CD2-CD1 4.41Å; L166-F181 HydrophobicContact CD2-CE1 3.69Å; M168-F181 HydrophobicContact CE-CE1 4.35Å; M168-F181 HydrophobicContact CE-CZ 4.01Å; V176-F181 HydrophobicContact CG1-CE2 3.72Å; V176-F181 HydrophobicContact CG1-CZ 4.37Å; R179-F181 PolarHBondContact O-N 3.15Å; F181-D183 PolarHBondContact O-N 3.43Å; F181-C184 HydrophobicContact CB-CB 4.37Å; F181-C184 WeakPolarHBondContact O-CB 3.38Å; F181-C184 PolarHBondContact O-N 2.82Å; F181-L190 HydrophobicContact CD2-CD2 4.29Å; F181-L190 HydrophobicContact CE1-CD1 4.33Å; F181-L190 HydrophobicContact CE1-CD2 4.46Å; F181-L190 HydrophobicContact CE2-CD2 3.82Å; F181-L190 HydrophobicContact CZ-CD1 4.12Å; F181-L190 HydrophobicContact CZ-CD2 3.92Å; F181-I192 HydrophobicContact CE2-CD1 4.38Å; F181-I192 HydrophobicContact CZ-CD1 4.14Å; F181-S204 WeakPolarHBondContact CD2-O 3.13Å; F181-F205 HydrophobicContact CD2-CD1 4.19Å; F181-F205 HydrophobicContact CE2-CD1 4.09Å; F181-F205 HydrophobicContact CE2-CE1 4.18Å; F181-A206 CarbonylContact C-O 3.56Å; F181-A206 VanDerWaalsContact C-O 3.24Å; F181-L208 HydrophobicContact CB-CD1 3.96Å; F181-L208 HydrophobicContact CB-CD2 3.7Å; F181-L208 HydrophobicContact CB-CG 3.74Å; F181-L208 HydrophobicContact CD2-CD1 3.86Å; F181-L208 HydrophobicContact CG-CD1 4.02Å; F181-L208 HydrophobicContact CG-CD2 4.3Å; F181-L208 HydrophobicContact CG-CG 4.34Å
182	Q	95.8	Very high	97.1	Very high	81 Å²	81	41.8 Å²	41.8	38%	0.379	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.8	-170.5	-177.8	66.1	41.8	0	0	114.4	R179 A206	R179-Q182 HydrophobicContact CB-CB 4.07Å; R179-Q182 WeakPolarHBondContact O-CB 3.26Å; R179-Q182 PolarHBondContact O-N 3.1Å; Q182-A206 WeakPolarHBondContact CA-O 3.28Å; Q182-A206 PolarHBondContact N-O 3.28Å
183	D	96.4	Very high	97.2	Very high	16 Å²	16	40.9 Å²	40.9	9%	0.086	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.8	180	-125.3	22.9	0	0	0	114.2	G159 R161 F181 R185	G159-D183 WeakPolarHBondContact CA-OD2 3.4Å; R161-D183 VanDerWaalsContact CA-O 3.28Å; R161-D183 WeakPolarHBondContact CA-O 3.46Å; R161-D183 HydrophobicContact CG-CB 4.48Å; R161-D183 WeakPolarHBondContact CG-O 3.27Å; R161-D183 IonicContact CZ-OD1 3.43Å; R161-D183 IonicContact CZ-OD2 2.74Å; R161-D183 VanDerWaalsContact CZ-OD2 3.26Å; R161-D183 IonicContact NE-OD1 2.72Å; R161-D183 PolarHBondContact NE-OD1 2.87Å; R161-D183 IonicContact NE-OD2 3.58Å; R161-D183 PolarHBondContact NE-OD2 3.2Å; R161-D183 IonicContact NH2-OD1 3.36Å; R161-D183 IonicContact NH2-OD2 3.89Å; R161-D183 PolarHBondContact NH2-OD2 2.96Å; F181-D183 PolarHBondContact O-N 3.43Å; D183-R185 PolarHBondContact O-N 3.02Å; D183-R185 IonicContact OD1-CZ 3.16Å; D183-R185 IonicContact OD1-NE 3.67Å; D183-R185 PolarHBondContact OD1-NE 2.62Å; D183-R185 VanDerWaalsContact OD1-NE 3.16Å; D183-R185 IonicContact OD1-NH2 3.63Å; D183-R185 PolarHBondContact OD1-NH2 3.49Å
184	C	97.1	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.204	C	C	.	.			trans	-78.9	43.3	178.5	-67.1	0	0	0	0	113	F181 S186 L187 L208	F181-C184 HydrophobicContact CB-CB 4.37Å; F181-C184 WeakPolarHBondContact O-CB 3.38Å; F181-C184 PolarHBondContact O-N 2.82Å; C184-S186 PolarHBondContact O-N 2.82Å; C184-L187 HydrophobicContact CB-CB 4.31Å; C184-L187 VanDerWaalsContact O-CB 3.31Å; C184-L187 WeakPolarHBondContact O-CB 3.27Å; C184-L187 PolarHBondContact O-N 3.07Å; C184-L208 HydrophobicContact CB-CD2 4.02Å
185	R	96.1	Very high	97.3	Very high	119 Å²	119	41.7 Å²	41.7	45%	0.449	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-0.2	-167.7	-49.8	-179.8	-156.1	-169.1	3.6	115.8	D183	D183-R185 PolarHBondContact O-N 3.02Å; D183-R185 IonicContact OD1-CZ 3.16Å; D183-R185 IonicContact OD1-NE 3.67Å; D183-R185 PolarHBondContact OD1-NE 2.62Å; D183-R185 VanDerWaalsContact OD1-NE 3.16Å; D183-R185 IonicContact OD1-NH2 3.63Å; D183-R185 PolarHBondContact OD1-NH2 3.49Å
186	S	98	Very high	97.4	Very high	33 Å²	33	40.3 Å²	40.3	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-2.4	175.6	-61.6	0	0	0	0	113.5	R161 L163 C184	R161-S186 VanDerWaalsContact O-CB 3.29Å; R161-S186 WeakPolarHBondContact O-CB 3.5Å; R161-S186 PolarHBondContact O-OG 3.14Å; L163-S186 CarbonylContact O-C 3.03Å; L163-S186 WeakPolarHBondContact O-CB 3.18Å; C184-S186 PolarHBondContact O-N 2.82Å
187	L	98.5	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.			trans	-65.4	135.4	-174.8	-163.3	74.2	0	0	0	110.2	L163 L166 C184 L190 L208 K210 L211	L163-L187 HydrophobicContact CB-CD1 4.37Å; L163-L187 HydrophobicContact CD2-CD1 3.99Å; L163-L187 HydrophobicContact CG-CD1 3.78Å; L163-L187 VanDerWaalsContact O-CA 3.29Å; L163-L187 WeakPolarHBondContact O-CA 3.13Å; L163-L187 PolarHBondContact O-N 3.08Å; L166-L187 HydrophobicContact CB-CD1 3.85Å; L166-L187 HydrophobicContact CB-CD2 4.47Å; C184-L187 HydrophobicContact CB-CB 4.31Å; C184-L187 VanDerWaalsContact O-CB 3.31Å; C184-L187 WeakPolarHBondContact O-CB 3.27Å; C184-L187 PolarHBondContact O-N 3.07Å; L187-L190 HydrophobicContact CD2-CB 3.99Å; L187-L190 HydrophobicContact CD2-CD1 4.34Å; L187-L190 HydrophobicContact CD2-CD2 4.25Å; L187-L190 HydrophobicContact CD2-CG 4.43Å; L187-L208 HydrophobicContact CB-CD2 3.8Å; L187-L208 HydrophobicContact CD2-CD1 4.46Å; L187-L208 HydrophobicContact CD2-CD2 3.54Å; L187-L208 HydrophobicContact CG-CD2 4.29Å; L187-K210 CarbonylContact O-C 3.18Å; L187-L211 HydrophobicContact CD2-CD1 4.09Å; L187-L211 HydrophobicContact CG-CD1 4.16Å; L187-L211 WeakPolarHBondContact O-CA 3.44Å; L187-L211 PolarHBondContact O-N 2.93Å; L187-L211 VanDerWaalsContact O-N 3.08Å
188	K	98.5	Very high	97.4	Very high	114 Å²	114	45.6 Å²	45.6	50%	0.496	20%	0.203	S	C	.	.			trans	-117.5	-38.4	-179.6	-65.4	-168.6	173	-165.1	0	112.4	T164 L211 T212 E213	T164-K188 PolarHBondContact O-N 3.44Å; K188-L211 WeakPolarHBondContact O-CD1 3.43Å; K188-T212 PolarHBondContact O-N 2.91Å; K188-T212 PolarHBondContact O-OG1 3.07Å; K188-E213 PolarHBondContact O-N 3.43Å
189	F	98.8	Very high	97.4	Very high	40 Å²	40	46.7 Å²	46.7	18%	0.175	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.9	-179.4	-176.6	-84.9	0	0	0	109.5	T164 T165 L166 H167 D191 E213 H215	T164-F189 PolarHBondContact O-N 2.81Å; T165-F189 HydrophobicContact CG2-CB 4.12Å; L166-F189 PolarHBondContact N-O 3.07Å; L166-F189 VanDerWaalsContact N-O 3.07Å; H167-F189 AromaticContact CE1-CD1 3.57Å; H167-F189 AromaticContact CE1-CE1 3.3Å; H167-F189 WeakPolarHBondContact CE1-CE1 3.1Å; H167-F189 AromaticContact ND1-CD1 4Å; H167-F189 AromaticContact ND1-CE1 3.42Å; H167-F189 WeakPolarHBondContact ND1-CE1 3.1Å; F189-D191 HydrophobicContact CE1-CB 3.57Å; F189-D191 HydrophobicContact CZ-CB 4.01Å; F189-E213 HydrophobicContact CD2-CB 3.94Å; F189-E213 HydrophobicContact CD2-CG 3.86Å; F189-E213 HydrophobicContact CE2-CB 4.47Å; F189-E213 HydrophobicContact CE2-CG 3.88Å; F189-H215 AromaticContact CE2-CD2 3.55Å; F189-H215 AromaticContact CE2-NE2 3.68Å; F189-H215 AromaticContact CZ-CD2 3.57Å; F189-H215 AromaticContact CZ-NE2 3.93Å
190	L	98.8	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.5	176.9	177.6	54.4	0	0	0	109.5	L166 M168 F181 L187 I192 F205 L208 L211 E213 L214 H215	L166-L190 HydrophobicContact CB-CD1 4.09Å; L166-L190 HydrophobicContact CD2-CD1 3.89Å; L166-L190 HydrophobicContact CG-CD1 4Å; L166-L190 WeakPolarHBondContact O-CA 3.43Å; M168-L190 HydrophobicContact CE-CD1 4.14Å; F181-L190 HydrophobicContact CD2-CD2 4.29Å; F181-L190 HydrophobicContact CE1-CD1 4.33Å; F181-L190 HydrophobicContact CE1-CD2 4.46Å; F181-L190 HydrophobicContact CE2-CD2 3.82Å; F181-L190 HydrophobicContact CZ-CD1 4.12Å; F181-L190 HydrophobicContact CZ-CD2 3.92Å; L187-L190 HydrophobicContact CD2-CB 3.99Å; L187-L190 HydrophobicContact CD2-CD1 4.34Å; L187-L190 HydrophobicContact CD2-CD2 4.25Å; L187-L190 HydrophobicContact CD2-CG 4.43Å; L190-I192 HydrophobicContact CD1-CD1 4.1Å; L190-I192 HydrophobicContact CD1-CG1 3.89Å; L190-I192 HydrophobicContact CD2-CD1 4.24Å; L190-I192 HydrophobicContact CG-CD1 4.17Å; L190-I192 HydrophobicContact CG-CG1 4.02Å; L190-F205 HydrophobicContact CD2-CD1 4.02Å; L190-F205 HydrophobicContact CD2-CE1 3.97Å; L190-L208 HydrophobicContact CD2-CD1 3.74Å; L190-L211 HydrophobicContact CB-CD1 3.67Å; L190-E213 PolarHBondContact N-O 3.12Å; L190-E213 VanDerWaalsContact N-O 3.17Å; L190-L214 HydrophobicContact CB-CD1 4.08Å; L190-L214 HydrophobicContact CD2-CD1 3.99Å; L190-L214 HydrophobicContact CG-CD1 3.96Å; L190-H215 PolarHBondContact O-N 2.96Å
191	D	98.8	Very high	97.3	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.1	175.1	-177.5	-0.7	0	0	0	111.5	L166 M168 R169 F189 G193 H215	L166-D191 PolarHBondContact O-N 3.36Å; M168-D191 CarbonylContact C-O 3.24Å; M168-D191 WeakPolarHBondContact CA-O 3.47Å; M168-D191 PolarHBondContact N-O 3.34Å; R169-D191 WeakPolarHBondContact CB-OD2 3.3Å; R169-D191 WeakPolarHBondContact CD-OD2 3.24Å; R169-D191 IonicContact CZ-OD2 2.7Å; R169-D191 IonicContact NE-OD2 2.67Å; R169-D191 IonicContact NH1-OD1 3.15Å; R169-D191 PolarHBondContact NH1-OD1 3.25Å; R169-D191 IonicContact NH1-OD2 3.18Å; R169-D191 PolarHBondContact NH1-OD2 3.02Å; F189-D191 HydrophobicContact CE1-CB 3.57Å; F189-D191 HydrophobicContact CZ-CB 4.01Å; D191-G193 PolarHBondContact OD1-N 2.95Å; D191-H215 HydrophobicContact CB-CB 3.98Å
192	I	98.2	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.			trans	-127.9	24.8	171.5	-28.9	-178.4	0	0	0	109.4	M168 I173 V176 F181 L190 N195 L197 F205 H215 L216 N219	M168-I192 HydrophobicContact CE-CD1 3.8Å; M168-I192 HydrophobicContact CE-CG1 3.86Å; M168-I192 HydrophobicContact CE-CG2 4.39Å; I173-I192 HydrophobicContact CD1-CG2 4.09Å; V176-I192 HydrophobicContact CG2-CD1 4.07Å; F181-I192 HydrophobicContact CE2-CD1 4.38Å; F181-I192 HydrophobicContact CZ-CD1 4.14Å; L190-I192 HydrophobicContact CD1-CD1 4.1Å; L190-I192 HydrophobicContact CD1-CG1 3.89Å; L190-I192 HydrophobicContact CD2-CD1 4.24Å; L190-I192 HydrophobicContact CG-CD1 4.17Å; L190-I192 HydrophobicContact CG-CG1 4.02Å; I192-N195 PolarHBondContact O-ND2 3.49Å; I192-L197 HydrophobicContact CG2-CD1 4.16Å; I192-F205 HydrophobicContact CD1-CE1 4.24Å; I192-H215 CarbonylContact C-O 3.57Å; I192-H215 PolarHBondContact N-O 3.4Å; I192-L216 HydrophobicContact CB-CD2 4.21Å; I192-N219 PolarHBondContact O-ND2 3.49Å
193	G	98.4	Very high	96.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.229	C	C	.	.			trans	-68.8	161.6	173.3	0	0	0	0	0	112	R169 A170 D191 N195 H215 E217	R169-G193 VanDerWaalsContact CA-O 3.28Å; R169-G193 WeakPolarHBondContact CA-O 3.3Å; A170-G193 PolarHBondContact N-O 3.12Å; A170-G193 VanDerWaalsContact N-O 3.08Å; D191-G193 PolarHBondContact OD1-N 2.95Å; G193-N195 PolarHBondContact O-ND2 3.11Å; G193-H215 PolarHBondContact N-O 3.37Å; G193-E217 CarbonylContact C-O 3.53Å; G193-E217 WeakPolarHBondContact CA-O 3.49Å
194	Y	98.6	Very high	96.5	Very high	99 Å²	99	47.4 Å²	47.4	39%	0.388	23%	0.225	S	C	.	.	S	Bend	trans	55.5	59.3	-177.1	-68.1	-115.6	0	0	0	110.7	A170 N171 E217 H218	A170-Y194 CarbonylContact C-O 3.53Å; A170-Y194 WeakPolarHBondContact CA-O 3.32Å; A170-Y194 PolarHBondContact N-O 3.2Å; A170-Y194 VanDerWaalsContact N-O 3.12Å; N171-Y194 PolarHBondContact N-O 2.95Å; Y194-E217 HydrophobicContact CD2-CG 4.28Å; Y194-E217 HydrophobicContact CE2-CG 4Å; Y194-E217 PolarHBondContact N-O 3.23Å; Y194-H218 CarbonylContact C-O 3.48Å; Y194-H218 WeakPolarHBondContact CA-O 3.19Å; Y194-H218 HydrophobicContact CD1-CB 4.12Å; Y194-H218 HydrophobicContact CD2-CB 3.63Å; Y194-H218 AromaticContact CD2-CG 3.91Å; Y194-H218 HydrophobicContact CE1-CB 4.33Å; Y194-H218 AromaticContact CE1-CE1 3.96Å; Y194-H218 AromaticContact CE1-CG 3.91Å; Y194-H218 AromaticContact CE1-ND1 3.75Å; Y194-H218 HydrophobicContact CE2-CB 3.81Å; Y194-H218 AromaticContact CE2-CD2 3.31Å; Y194-H218 WeakPolarHBondContact CE2-CD2 3.12Å; Y194-H218 AromaticContact CE2-CG 3.54Å; Y194-H218 AromaticContact CE2-NE2 3.86Å; Y194-H218 HydrophobicContact CG-CB 3.77Å; Y194-H218 AromaticContact CZ-CD2 3.43Å; Y194-H218 VanDerWaalsContact CZ-CD2 3.43Å; Y194-H218 AromaticContact CZ-CE1 3.63Å; Y194-H218 AromaticContact CZ-CG 3.55Å; Y194-H218 AromaticContact CZ-ND1 3.69Å; Y194-H218 AromaticContact CZ-NE2 3.49Å; Y194-H218 PolarHBondContact N-O 3Å; Y194-H218 VanDerWaalsContact N-O 3.16Å; Y194-H218 PolarHBondContact OH-CD2 2.73Å; Y194-H218 PolarHBondContact OH-CE1 3.35Å; Y194-H218 PolarHBondContact OH-NE2 3.06Å
195	N	98.7	Very high	96.4	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.059	23%	0.225	C	C	.	.	S	Bend	trans	-137.5	-166.8	179.7	-87.9	-81.7	0	0	0	109.8	M168 N171 A172 I173 I192 G193 L197 H218 N219	M168-N195 PolarHBondContact O-ND2 3.28Å; N171-N195 WeakPolarHBondContact CA-OD1 3.14Å; N171-N195 WeakPolarHBondContact CB-OD1 3.45Å; N171-N195 PolarHBondContact O-OD1 2.89Å; A172-N195 PolarHBondContact N-OD1 3.08Å; I173-N195 HydrophobicContact CB-CB 4.43Å; I173-N195 VanDerWaalsContact CB-OD1 3.24Å; I173-N195 WeakPolarHBondContact CB-OD1 3.26Å; I173-N195 VanDerWaalsContact CG1-OD1 3.29Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.46Å; I173-N195 PolarHBondContact N-OD1 3.22Å; I192-N195 PolarHBondContact O-ND2 3.49Å; G193-N195 PolarHBondContact O-ND2 3.11Å; N195-L197 HydrophobicContact CB-CG 4.49Å; N195-H218 PolarHBondContact N-O 2.73Å; N195-N219 WeakPolarHBondContact CA-OD1 3.42Å; N195-N219 WeakPolarHBondContact CB-OD1 3.12Å; N195-N219 PolarHBondContact O-OD1 2.95Å
196	Q	97.9	Very high	96.3	Very high	80 Å²	80	42.2 Å²	42.2	37%	0.374	21%	0.208	S	C	.	.			trans	-120.1	29.9	-174.4	-63.5	-178.6	-6.1	0	0	112	I173 Q174 K198 N219	I173-Q196 CarbonylContact O-C 3.15Å; I173-Q196 VanDerWaalsContact O-C 3.27Å; I173-Q196 WeakPolarHBondContact O-CA 3.46Å; I173-Q196 PolarHBondContact O-N 2.69Å; Q174-Q196 WeakPolarHBondContact CA-O 3.41Å; Q174-Q196 HydrophobicContact CG-CB 3.97Å; Q196-K198 PolarHBondContact O-N 3.41Å; Q196-N219 PolarHBondContact N-OD1 3.08Å
197	L	98	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.			trans	-69.4	110.9	-177.4	-61.1	176.5	0	0	0	110.4	I173 V176 I192 N195 L200 L216 N219 D220 L221	I173-L197 HydrophobicContact CG2-CD2 4.05Å; I173-L197 WeakPolarHBondContact O-CD2 3.47Å; I173-L197 PolarHBondContact O-N 2.92Å; V176-L197 HydrophobicContact CG2-CD1 3.98Å; V176-L197 HydrophobicContact CG2-CD2 3.8Å; I192-L197 HydrophobicContact CG2-CD1 4.16Å; N195-L197 HydrophobicContact CB-CG 4.49Å; L197-L200 HydrophobicContact CD1-CD2 4.46Å; L197-L216 HydrophobicContact CD1-CD2 3.98Å; L197-N219 HydrophobicContact CB-CB 4.19Å; L197-N219 VanDerWaalsContact CB-OD1 3.25Å; L197-N219 WeakPolarHBondContact CB-OD1 3.36Å; L197-N219 VanDerWaalsContact CG-OD1 3.27Å; L197-N219 WeakPolarHBondContact CG-OD1 3.29Å; L197-N219 PolarHBondContact N-OD1 3.04Å; L197-D220 CarbonylContact O-C 3.53Å; L197-D220 WeakPolarHBondContact O-CA 3.24Å; L197-D220 PolarHBondContact O-N 2.82Å; L197-L221 HydrophobicContact CB-CD2 4.13Å; L197-L221 WeakPolarHBondContact O-CD2 3.41Å; L197-L221 PolarHBondContact O-N 2.99Å; L197-L221 VanDerWaalsContact O-N 3.13Å
198	K	95.9	Very high	96	Very high	132 Å²	132	40.8 Å²	40.8	57%	0.574	20%	0.198	S	C	*	.			trans	-87.6	-25.6	178.7	-64.4	176.9	-177	178.7	0	113.4	Q196 D220	Q196-K198 PolarHBondContact O-N 3.41Å; K198-D220 HydrophobicContact CB-CB 4.47Å; K198-D220 HydrophobicContact CG-CB 3.75Å
199	S	95.3	Very high	95.7	Very high	84 Å²	84	39.1 Å²	39.1	59%	0.587	19%	0.191	S	C	*	.			trans	-154.9	165.2	178.1	64.3	0	0	0	0	111.2
200	L	94.9	Very high	95.6	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.084	21%	0.207	C	C	.	.			trans	-118.3	133.7	174.5	-59.6	172.4	0	0	0	108.4	L197 F205 L216 L221 H228 F229	L197-L200 HydrophobicContact CD1-CD2 4.46Å; L200-F205 HydrophobicContact CD1-CE2 4.12Å; L200-F205 HydrophobicContact CD2-CE2 3.92Å; L200-F205 HydrophobicContact CD2-CZ 4.14Å; L200-F205 HydrophobicContact CG-CE2 4.47Å; L200-L216 HydrophobicContact CD1-CD1 4.18Å; L200-L221 HydrophobicContact CD1-CD1 4.09Å; L200-L221 HydrophobicContact CD1-CD2 4.45Å; L200-L221 HydrophobicContact CD2-CD2 4.19Å; L200-L221 HydrophobicContact CG-CD1 4.32Å; L200-L221 HydrophobicContact CG-CD2 3.83Å; L200-H228 HydrophobicContact CB-CB 4.19Å; L200-H228 PolarHBondContact O-CE1 3.05Å; L200-H228 VanDerWaalsContact O-CE1 3.31Å; L200-H228 PolarHBondContact O-ND1 2.79Å; L200-H228 VanDerWaalsContact O-ND1 3.15Å; L200-F229 HydrophobicContact CD1-CE1 3.87Å; L200-F229 HydrophobicContact CD1-CE2 4.31Å; L200-F229 HydrophobicContact CD1-CZ 3.46Å; L200-F229 VanDerWaalsContact CD1-CZ 3.46Å
201	A	92.9	Very high	95.6	Very high	43 Å²	43	42.7 Å²	42.7	36%	0.355	21%	0.207	S	C	.	.			trans	-88	147.4	176	0	0	0	0	0	111	V178 N203 S204	V178-A201 HydrophobicContact CG2-CB 3.68Å; A201-N203 PolarHBondContact O-N 3.39Å; A201-S204 PolarHBondContact N-OG 3.42Å; A201-S204 WeakPolarHBondContact O-CB 3.45Å; A201-S204 PolarHBondContact O-N 3.06Å; A201-S204 PolarHBondContact O-OG 3.24Å
202	R	88.6	Confident	95.5	Very high	151 Å²	151	44.6 Å²	44.6	57%	0.57	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	126.1	172.7	-163.9	176.9	-172.6	169.3	3.9	109
203	N	90	Very high	95.5	Very high	63 Å²	63	47.8 Å²	47.8	34%	0.337	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	16.5	-174.6	-43.6	-69.7	0	0	0	116.8	V178 R179 A201 F205 A206 P230	V178-N203 HydrophobicContact CG1-CB 4.25Å; R179-N203 PolarHBondContact N-O 3.33Å; A201-N203 PolarHBondContact O-N 3.39Å; N203-F205 VanDerWaalsContact C-N 3.27Å; N203-F205 PolarHBondContact O-N 3.15Å; N203-A206 HydrophobicContact CB-CB 4Å; N203-A206 WeakPolarHBondContact O-CB 3.31Å; N203-A206 PolarHBondContact O-N 3.08Å; N203-P230 HydrophobicContact CB-CG 4.43Å; N203-P230 WeakPolarHBondContact OD1-CG 3.43Å
204	S	94.3	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-40.1	165.4	-71.5	0	0	0	0	112	V176 F181 A201	V176-S204 PolarHBondContact O-OG 3.01Å; F181-S204 WeakPolarHBondContact CD2-O 3.13Å; A201-S204 PolarHBondContact N-OG 3.42Å; A201-S204 WeakPolarHBondContact O-CB 3.45Å; A201-S204 PolarHBondContact O-N 3.06Å; A201-S204 PolarHBondContact O-OG 3.24Å
205	F	95.4	Very high	95.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.2	179.7	-59.6	-72.2	0	0	0	114.7	F181 L190 I192 L200 N203 L208 L214 L216 F229 L232	F181-F205 HydrophobicContact CD2-CD1 4.19Å; F181-F205 HydrophobicContact CE2-CD1 4.09Å; F181-F205 HydrophobicContact CE2-CE1 4.18Å; L190-F205 HydrophobicContact CD2-CD1 4.02Å; L190-F205 HydrophobicContact CD2-CE1 3.97Å; I192-F205 HydrophobicContact CD1-CE1 4.24Å; L200-F205 HydrophobicContact CD1-CE2 4.12Å; L200-F205 HydrophobicContact CD2-CE2 3.92Å; L200-F205 HydrophobicContact CD2-CZ 4.14Å; L200-F205 HydrophobicContact CG-CE2 4.47Å; N203-F205 VanDerWaalsContact C-N 3.27Å; N203-F205 PolarHBondContact O-N 3.15Å; F205-L208 HydrophobicContact CB-CD1 4.1Å; F205-L208 HydrophobicContact CD1-CD1 3.95Å; F205-L208 WeakPolarHBondContact O-CB 3.05Å; F205-L208 WeakPolarHBondContact O-CG 3.32Å; F205-L214 HydrophobicContact CD1-CD2 4.47Å; F205-L214 HydrophobicContact CE1-CD1 4.06Å; F205-L214 HydrophobicContact CE1-CD2 4.35Å; F205-L214 HydrophobicContact CZ-CD2 4.45Å; F205-L216 HydrophobicContact CZ-CD1 4.22Å; F205-L216 HydrophobicContact CZ-CD2 4.18Å; F205-F229 AromaticContact CD2-CD1 3.61Å; F205-F229 HydrophobicContact CD2-CD1 3.61Å; F205-F229 AromaticContact CD2-CE1 3.82Å; F205-F229 HydrophobicContact CD2-CE1 3.82Å; F205-F229 AromaticContact CE2-CD1 3.93Å; F205-F229 HydrophobicContact CE2-CD1 3.93Å; F205-F229 AromaticContact CE2-CE1 3.61Å; F205-F229 HydrophobicContact CE2-CE1 3.61Å; F205-F229 HydrophobicContact CG-CD1 4.37Å; F205-F229 HydrophobicContact CZ-CE1 4.42Å; F205-L232 HydrophobicContact CB-CD1 4.38Å; F205-L232 HydrophobicContact CB-CD2 4.3Å
206	A	93.8	Very high	95.5	Very high	10 Å²	10	44.2 Å²	44.2	8%	0.083	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	144.1	179.3	0	0	0	0	0	112.4	R179 F181 Q182 N203	R179-A206 HydrophobicContact CG-CB 4.41Å; F181-A206 CarbonylContact C-O 3.56Å; F181-A206 VanDerWaalsContact C-O 3.24Å; Q182-A206 WeakPolarHBondContact CA-O 3.28Å; Q182-A206 PolarHBondContact N-O 3.28Å; N203-A206 HydrophobicContact CB-CB 4Å; N203-A206 WeakPolarHBondContact O-CB 3.31Å; N203-A206 PolarHBondContact O-N 3.08Å
207	G	93.4	Very high	95.5	Very high	2 Å²	2	41 Å²	41	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-14.3	-177.2	0	0	0	0	0	115.1	F209	G207-F209 WeakPolarHBondContact O-CD2 3.45Å; G207-F209 PolarHBondContact O-N 3.06Å
208	L	96.2	Very high	95.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.217	C	C	.	.			trans	-83.7	41.8	-172.4	-65.2	-174.9	0	0	0	114.6	F181 C184 L187 L190 F205 K210 L211 L232	F181-L208 HydrophobicContact CB-CD1 3.96Å; F181-L208 HydrophobicContact CB-CD2 3.7Å; F181-L208 HydrophobicContact CB-CG 3.74Å; F181-L208 HydrophobicContact CD2-CD1 3.86Å; F181-L208 HydrophobicContact CG-CD1 4.02Å; F181-L208 HydrophobicContact CG-CD2 4.3Å; F181-L208 HydrophobicContact CG-CG 4.34Å; C184-L208 HydrophobicContact CB-CD2 4.02Å; L187-L208 HydrophobicContact CB-CD2 3.8Å; L187-L208 HydrophobicContact CD2-CD1 4.46Å; L187-L208 HydrophobicContact CD2-CD2 3.54Å; L187-L208 HydrophobicContact CG-CD2 4.29Å; L190-L208 HydrophobicContact CD2-CD1 3.74Å; F205-L208 HydrophobicContact CB-CD1 4.1Å; F205-L208 HydrophobicContact CD1-CD1 3.95Å; F205-L208 WeakPolarHBondContact O-CB 3.05Å; F205-L208 WeakPolarHBondContact O-CG 3.32Å; L208-K210 PolarHBondContact O-N 3.42Å; L208-L211 HydrophobicContact CB-CB 4.09Å; L208-L211 HydrophobicContact CB-CD2 4.48Å; L208-L211 HydrophobicContact CD1-CD2 4.13Å; L208-L211 VanDerWaalsContact O-CB 3.3Å; L208-L211 WeakPolarHBondContact O-CB 3.46Å; L208-L211 PolarHBondContact O-N 3.18Å; L208-L232 HydrophobicContact CB-CD2 3.67Å
209	F	93.6	Very high	95.7	Very high	79 Å²	79	37.8 Å²	37.8	35%	0.346	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.7	-172.6	-48.5	-67.7	0	0	0	115.4	G207 R231 S234	G207-F209 WeakPolarHBondContact O-CD2 3.45Å; G207-F209 PolarHBondContact O-N 3.06Å; F209-R231 HydrophobicContact CD1-CB 4.32Å; F209-R231 HydrophobicContact CE1-CB 4.26Å; F209-S234 WeakPolarHBondContact O-CB 3.19Å; F209-S234 PolarHBondContact O-OG 3.01Å
210	K	96.6	Very high	95.8	Very high	115 Å²	115	35.9 Å²	35.9	50%	0.5	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	5.9	-179.7	-66.9	-171.7	-178.7	174.5	0	113.9	L187 L208 T212	L187-K210 CarbonylContact O-C 3.18Å; L208-K210 PolarHBondContact O-N 3.42Å; K210-T212 PolarHBondContact O-N 3.18Å
211	L	97.8	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.			trans	-65.6	122.6	179.4	-166.6	76.4	0	0	0	109.2	L187 K188 L190 L208 L214 L232 S234 L235	L187-L211 HydrophobicContact CD2-CD1 4.09Å; L187-L211 HydrophobicContact CG-CD1 4.16Å; L187-L211 WeakPolarHBondContact O-CA 3.44Å; L187-L211 PolarHBondContact O-N 2.93Å; L187-L211 VanDerWaalsContact O-N 3.08Å; K188-L211 WeakPolarHBondContact O-CD1 3.43Å; L190-L211 HydrophobicContact CB-CD1 3.67Å; L208-L211 HydrophobicContact CB-CB 4.09Å; L208-L211 HydrophobicContact CB-CD2 4.48Å; L208-L211 HydrophobicContact CD1-CD2 4.13Å; L208-L211 VanDerWaalsContact O-CB 3.3Å; L208-L211 WeakPolarHBondContact O-CB 3.46Å; L208-L211 PolarHBondContact O-N 3.18Å; L211-L214 HydrophobicContact CD2-CB 3.94Å; L211-L214 HydrophobicContact CD2-CD1 4.33Å; L211-L214 HydrophobicContact CD2-CD2 4.27Å; L211-L214 HydrophobicContact CD2-CG 4.41Å; L211-L232 HydrophobicContact CD2-CD1 4.21Å; L211-S234 CarbonylContact O-C 3.01Å; L211-S234 VanDerWaalsContact O-O 3.06Å; L211-L235 HydrophobicContact CD2-CD1 4.15Å; L211-L235 HydrophobicContact CG-CD1 4.25Å; L211-L235 WeakPolarHBondContact O-CA 3.08Å; L211-L235 PolarHBondContact O-N 3.18Å; L211-L235 VanDerWaalsContact O-N 3.09Å
212	T	97.6	Very high	96.1	Very high	49 Å²	49	37.1 Å²	37.1	30%	0.301	18%	0.179	S	C	.	.			trans	-101.3	-26.6	178.5	51.3	0	0	0	0	112.4	K188 K210 S234 H236 S237	K188-T212 PolarHBondContact O-N 2.91Å; K188-T212 PolarHBondContact O-OG1 3.07Å; K210-T212 PolarHBondContact O-N 3.18Å; T212-S234 WeakPolarHBondContact CA-O 3.41Å; T212-H236 PolarHBondContact O-N 2.92Å; T212-S237 PolarHBondContact O-N 3.32Å
213	E	98.4	Very high	96.5	Very high	67 Å²	67	35.3 Å²	35.3	31%	0.313	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	130	-174.7	-174.1	148.5	-115.6	0	0	111.3	K188 F189 L190 S237	K188-E213 PolarHBondContact O-N 3.43Å; F189-E213 HydrophobicContact CD2-CB 3.94Å; F189-E213 HydrophobicContact CD2-CG 3.86Å; F189-E213 HydrophobicContact CE2-CB 4.47Å; F189-E213 HydrophobicContact CE2-CG 3.88Å; L190-E213 PolarHBondContact N-O 3.12Å; L190-E213 VanDerWaalsContact N-O 3.17Å; E213-S237 WeakPolarHBondContact CA-O 3.22Å; E213-S237 WeakPolarHBondContact OE1-CB 3.42Å; E213-S237 PolarHBondContact OE1-OG 2.98Å
214	L	98.4	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117	-178	179.1	53.4	0	0	0	110.7	L190 F205 L211 L216 F229 L232 L235 S237 L238 C239	L190-L214 HydrophobicContact CB-CD1 4.08Å; L190-L214 HydrophobicContact CD2-CD1 3.99Å; L190-L214 HydrophobicContact CG-CD1 3.96Å; F205-L214 HydrophobicContact CD1-CD2 4.47Å; F205-L214 HydrophobicContact CE1-CD1 4.06Å; F205-L214 HydrophobicContact CE1-CD2 4.35Å; F205-L214 HydrophobicContact CZ-CD2 4.45Å; L211-L214 HydrophobicContact CD2-CB 3.94Å; L211-L214 HydrophobicContact CD2-CD1 4.33Å; L211-L214 HydrophobicContact CD2-CD2 4.27Å; L211-L214 HydrophobicContact CD2-CG 4.41Å; L214-L216 HydrophobicContact CD1-CD1 4.46Å; L214-L216 HydrophobicContact CD1-CD2 4.47Å; L214-L216 HydrophobicContact CD1-CG 4.17Å; L214-L216 HydrophobicContact CD2-CD1 4.09Å; L214-L216 HydrophobicContact CG-CD1 4.11Å; L214-L216 HydrophobicContact CG-CG 4.13Å; L214-F229 HydrophobicContact CD2-CD1 3.89Å; L214-F229 HydrophobicContact CD2-CE1 3.75Å; L214-L232 HydrophobicContact CD2-CD1 4.21Å; L214-L235 HydrophobicContact CB-CD1 3.92Å; L214-S237 PolarHBondContact N-O 3.23Å; L214-L238 HydrophobicContact CB-CD1 4.1Å; L214-L238 HydrophobicContact CD2-CD1 4.01Å; L214-L238 HydrophobicContact CG-CD1 4.05Å; L214-C239 PolarHBondContact O-N 3.09Å
215	H	98.8	Very high	96.7	Very high	35 Å²	35	33.8 Å²	33.8	16%	0.162	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.1	176.9	-77.9	-95.8	0	0	0	111.3	F189 L190 D191 I192 G193 E217	F189-H215 AromaticContact CE2-CD2 3.55Å; F189-H215 AromaticContact CE2-NE2 3.68Å; F189-H215 AromaticContact CZ-CD2 3.57Å; F189-H215 AromaticContact CZ-NE2 3.93Å; L190-H215 PolarHBondContact O-N 2.96Å; D191-H215 HydrophobicContact CB-CB 3.98Å; I192-H215 CarbonylContact C-O 3.57Å; I192-H215 PolarHBondContact N-O 3.4Å; G193-H215 PolarHBondContact N-O 3.37Å; H215-E217 VanDerWaalsContact CB-OE2 3.29Å; H215-E217 WeakPolarHBondContact CB-OE2 3.47Å; H215-E217 IonicContact CG-OE2 3.27Å; H215-E217 IonicContact ND1-OE1 3.26Å; H215-E217 PolarHBondContact ND1-OE1 2.85Å; H215-E217 IonicContact ND1-OE2 2.8Å; H215-E217 PolarHBondContact ND1-OE2 3.07Å
216	L	98.4	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.			trans	-133.8	13.1	177.6	-66.6	172.2	0	0	0	111.5	I192 L197 L200 F205 L214 N219 F229 C239 L240 N243	I192-L216 HydrophobicContact CB-CD2 4.21Å; L197-L216 HydrophobicContact CD1-CD2 3.98Å; L200-L216 HydrophobicContact CD1-CD1 4.18Å; F205-L216 HydrophobicContact CZ-CD1 4.22Å; F205-L216 HydrophobicContact CZ-CD2 4.18Å; L214-L216 HydrophobicContact CD1-CD1 4.46Å; L214-L216 HydrophobicContact CD1-CD2 4.47Å; L214-L216 HydrophobicContact CD1-CG 4.17Å; L214-L216 HydrophobicContact CD2-CD1 4.09Å; L214-L216 HydrophobicContact CG-CD1 4.11Å; L214-L216 HydrophobicContact CG-CG 4.13Å; L216-N219 PolarHBondContact O-ND2 2.76Å; L216-N219 VanDerWaalsContact O-ND2 3.07Å; L216-F229 HydrophobicContact CD1-CE1 3.87Å; L216-F229 HydrophobicContact CD1-CZ 4.08Å; L216-C239 CarbonylContact C-O 3.59Å; L216-C239 WeakPolarHBondContact CA-O 3.36Å; L216-C239 WeakPolarHBondContact CB-O 3.46Å; L216-C239 PolarHBondContact N-O 2.76Å; L216-L240 HydrophobicContact CB-CD2 3.9Å; L216-L240 HydrophobicContact CD1-CD2 4Å; L216-N243 PolarHBondContact O-ND2 3.2Å
217	E	98.4	Very high	96.3	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.065	17%	0.165	C	C	.	.			trans	-61.7	157.1	179.2	70.3	-89.7	-162.2	0	0	113.1	R169 G193 Y194 H215 N219 C239 R241	R169-E217 IonicContact CZ-OE1 3.43Å; R169-E217 VanDerWaalsContact CZ-OE1 3.22Å; R169-E217 IonicContact NH1-OE1 3.16Å; R169-E217 PolarHBondContact NH1-OE1 3.27Å; R169-E217 IonicContact NH2-OE1 2.81Å; R169-E217 PolarHBondContact NH2-OE1 2.96Å; G193-E217 CarbonylContact C-O 3.53Å; G193-E217 WeakPolarHBondContact CA-O 3.49Å; Y194-E217 HydrophobicContact CD2-CG 4.28Å; Y194-E217 HydrophobicContact CE2-CG 4Å; Y194-E217 PolarHBondContact N-O 3.23Å; H215-E217 VanDerWaalsContact CB-OE2 3.29Å; H215-E217 WeakPolarHBondContact CB-OE2 3.47Å; H215-E217 IonicContact CG-OE2 3.27Å; H215-E217 IonicContact ND1-OE1 3.26Å; H215-E217 PolarHBondContact ND1-OE1 2.85Å; H215-E217 IonicContact ND1-OE2 2.8Å; H215-E217 PolarHBondContact ND1-OE2 3.07Å; E217-N219 PolarHBondContact O-ND2 2.86Å; E217-C239 PolarHBondContact N-O 2.81Å; E217-C239 PolarHBondContact OE2-SG 2.84Å; E217-C239 VanDerWaalsContact OE2-SG 3.33Å; E217-R241 CarbonylContact C-O 3.43Å; E217-R241 WeakPolarHBondContact CA-O 3.29Å; E217-R241 HydrophobicContact CB-CB 3.93Å; E217-R241 WeakPolarHBondContact CB-O 3.44Å
218	H	98.4	Very high	96.1	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.255	17%	0.174	S	C	.	.	S	Bend	trans	53.4	63.4	180	-70.3	-110.4	0	0	0	112.1	Y194 N195 R241 R242	Y194-H218 CarbonylContact C-O 3.48Å; Y194-H218 WeakPolarHBondContact CA-O 3.19Å; Y194-H218 HydrophobicContact CD1-CB 4.12Å; Y194-H218 HydrophobicContact CD2-CB 3.63Å; Y194-H218 AromaticContact CD2-CG 3.91Å; Y194-H218 HydrophobicContact CE1-CB 4.33Å; Y194-H218 AromaticContact CE1-CE1 3.96Å; Y194-H218 AromaticContact CE1-CG 3.91Å; Y194-H218 AromaticContact CE1-ND1 3.75Å; Y194-H218 HydrophobicContact CE2-CB 3.81Å; Y194-H218 AromaticContact CE2-CD2 3.31Å; Y194-H218 WeakPolarHBondContact CE2-CD2 3.12Å; Y194-H218 AromaticContact CE2-CG 3.54Å; Y194-H218 AromaticContact CE2-NE2 3.86Å; Y194-H218 HydrophobicContact CG-CB 3.77Å; Y194-H218 AromaticContact CZ-CD2 3.43Å; Y194-H218 VanDerWaalsContact CZ-CD2 3.43Å; Y194-H218 AromaticContact CZ-CE1 3.63Å; Y194-H218 AromaticContact CZ-CG 3.55Å; Y194-H218 AromaticContact CZ-ND1 3.69Å; Y194-H218 AromaticContact CZ-NE2 3.49Å; Y194-H218 PolarHBondContact N-O 3Å; Y194-H218 VanDerWaalsContact N-O 3.16Å; Y194-H218 PolarHBondContact OH-CD2 2.73Å; Y194-H218 PolarHBondContact OH-CE1 3.35Å; Y194-H218 PolarHBondContact OH-NE2 3.06Å; N195-H218 PolarHBondContact N-O 2.73Å; H218-R241 PolarHBondContact N-O 2.98Å; H218-R242 WeakPolarHBondContact CA-O 3.14Å; H218-R242 VanDerWaalsContact CE1-CD 3.45Å; H218-R242 WeakPolarHBondContact CE1-CD 3.04Å; H218-R242 PolarHBondContact CE1-NH1 3.34Å; H218-R242 PolarHBondContact N-O 2.75Å; H218-R242 WeakPolarHBondContact NE2-CD 3.19Å; H218-R242 PolarHBondContact NE2-NH1 3.07Å
219	N	98.6	Very high	95.8	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.048	17%	0.174	C	C	.	.	S	Bend	trans	-136.7	-176.5	174	-87.1	-80.3	0	0	0	109	I192 N195 Q196 L197 L216 E217 L221 R242 N243	I192-N219 PolarHBondContact O-ND2 3.49Å; N195-N219 WeakPolarHBondContact CA-OD1 3.42Å; N195-N219 WeakPolarHBondContact CB-OD1 3.12Å; N195-N219 PolarHBondContact O-OD1 2.95Å; Q196-N219 PolarHBondContact N-OD1 3.08Å; L197-N219 HydrophobicContact CB-CB 4.19Å; L197-N219 VanDerWaalsContact CB-OD1 3.25Å; L197-N219 WeakPolarHBondContact CB-OD1 3.36Å; L197-N219 VanDerWaalsContact CG-OD1 3.27Å; L197-N219 WeakPolarHBondContact CG-OD1 3.29Å; L197-N219 PolarHBondContact N-OD1 3.04Å; L216-N219 PolarHBondContact O-ND2 2.76Å; L216-N219 VanDerWaalsContact O-ND2 3.07Å; E217-N219 PolarHBondContact O-ND2 2.86Å; N219-L221 HydrophobicContact CB-CG 4.45Å; N219-R242 PolarHBondContact N-O 3.01Å; N219-N243 WeakPolarHBondContact CA-OD1 3.29Å; N219-N243 WeakPolarHBondContact CB-OD1 3.41Å; N219-N243 WeakPolarHBondContact O-CA 3.07Å; N219-N243 PolarHBondContact O-OD1 2.61Å
220	D	97.9	Very high	95.2	Very high	44 Å²	44	32.7 Å²	32.7	24%	0.235	16%	0.163	C	C	.	.			trans	-104.7	23.8	-176.7	-77.1	-59.5	0	0	0	113	L197 K198 V222 K244	L197-D220 CarbonylContact O-C 3.53Å; L197-D220 WeakPolarHBondContact O-CA 3.24Å; L197-D220 PolarHBondContact O-N 2.82Å; K198-D220 HydrophobicContact CB-CB 4.47Å; K198-D220 HydrophobicContact CG-CB 3.75Å; D220-V222 PolarHBondContact O-N 2.78Å; D220-K244 WeakPolarHBondContact OD1-CE 3.38Å; D220-K244 IonicContact OD1-NZ 3.13Å; D220-K244 PolarHBondContact OD1-NZ 3.17Å
221	L	97.8	Very high	94.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.169	C	C	.	.			trans	-67.4	120.8	-173.4	-61.2	174.7	0	0	0	111.4	L197 L200 N219 L240 N243 K244 V245	L197-L221 HydrophobicContact CB-CD2 4.13Å; L197-L221 WeakPolarHBondContact O-CD2 3.41Å; L197-L221 PolarHBondContact O-N 2.99Å; L197-L221 VanDerWaalsContact O-N 3.13Å; L200-L221 HydrophobicContact CD1-CD1 4.09Å; L200-L221 HydrophobicContact CD1-CD2 4.45Å; L200-L221 HydrophobicContact CD2-CD2 4.19Å; L200-L221 HydrophobicContact CG-CD1 4.32Å; L200-L221 HydrophobicContact CG-CD2 3.83Å; N219-L221 HydrophobicContact CB-CG 4.45Å; L221-L240 HydrophobicContact CD1-CD2 3.86Å; L221-N243 HydrophobicContact CB-CB 4.1Å; L221-N243 VanDerWaalsContact CB-OD1 3.23Å; L221-N243 WeakPolarHBondContact CB-OD1 3.27Å; L221-N243 WeakPolarHBondContact CG-OD1 3.2Å; L221-N243 PolarHBondContact N-OD1 3.33Å; L221-K244 CarbonylContact O-C 3.56Å; L221-K244 WeakPolarHBondContact O-CA 3.43Å; L221-K244 PolarHBondContact O-N 2.91Å; L221-V245 HydrophobicContact CB-CG2 4.27Å; L221-V245 WeakPolarHBondContact O-CA 3.21Å; L221-V245 VanDerWaalsContact O-CG2 3.26Å; L221-V245 WeakPolarHBondContact O-CG2 3.27Å; L221-V245 PolarHBondContact O-N 3.07Å
222	V	96.8	Very high	94.2	Very high	84 Å²	84	35.2 Å²	35.2	51%	0.509	17%	0.169	S	C	.	.			trans	-92.3	-26.3	-177.2	-177.3	0	0	0	0	113.8	D220 K244 V245 A246	D220-V222 PolarHBondContact O-N 2.78Å; V222-K244 WeakPolarHBondContact CA-O 3.01Å; V222-K244 HydrophobicContact CG2-CB 4.46Å; V222-V245 WeakPolarHBondContact O-CA 3.23Å; V222-A246 PolarHBondContact O-N 3.21Å
223	K	96.1	Very high	93.9	Very high	112 Å²	112	37.8 Å²	37.8	49%	0.487	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.7	179.5	178.9	167.1	-178.3	166.2	0	111.1	I247 V249	K223-I247 HydrophobicContact CD-CB 4.35Å; K223-I247 HydrophobicContact CD-CG2 4.08Å; K223-I247 HydrophobicContact CG-CB 4.24Å; K223-I247 HydrophobicContact CG-CG2 4.22Å; K223-V249 VanDerWaalsContact CE-CG2 3.46Å
224	V	95.3	Very high	93.7	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.3	172.6	172.9	0	0	0	0	108.8	F226 F229 L240 V245 I247 V248 V249	V224-F226 HydrophobicContact CG1-CD1 3.67Å; V224-F226 HydrophobicContact CG1-CE1 3.67Å; V224-F229 HydrophobicContact CG1-CE2 4.49Å; V224-L240 HydrophobicContact CG1-CD1 4.32Å; V224-L240 HydrophobicContact CG2-CD1 4.11Å; V224-L240 HydrophobicContact CG2-CD2 4.46Å; V224-V245 HydrophobicContact CB-CG1 4.16Å; V224-V245 HydrophobicContact CG2-CB 4.39Å; V224-V245 HydrophobicContact CG2-CG1 3.76Å; V224-V245 HydrophobicContact CG2-CG2 3.63Å; V224-I247 PolarHBondContact N-O 2.97Å; V224-V248 HydrophobicContact CB-CG1 4.28Å; V224-V248 HydrophobicContact CG1-CG1 4.19Å; V224-V249 PolarHBondContact O-N 2.95Å
225	N	94.1	Very high	93.6	Very high	28 Å²	28	36.4 Å²	36.4	15%	0.15	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.7	161.2	-176.6	-12.3	0	0	0	108	A227 H228 V249 S251	N225-A227 PolarHBondContact O-N 3.13Å; N225-A227 VanDerWaalsContact O-N 3.13Å; N225-A227 VanDerWaalsContact OD1-CB 3.29Å; N225-A227 WeakPolarHBondContact OD1-CB 3.42Å; N225-A227 PolarHBondContact OD1-N 3.25Å; N225-H228 WeakPolarHBondContact O-CB 3.32Å; N225-H228 PolarHBondContact O-N 2.98Å; N225-V249 WeakPolarHBondContact CA-O 3.47Å; N225-V249 HydrophobicContact CB-CG2 3.67Å; N225-S251 PolarHBondContact ND2-OG 3.01Å; N225-S251 PolarHBondContact OD1-N 3.16Å; N225-S251 PolarHBondContact OD1-OG 3.1Å
226	F	91.3	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.9	-22.2	179.1	-63.9	-13.8	0	0	0	113	V224 H228 F229 V248 V249 S250 L252 W256 M261 V275	V224-F226 HydrophobicContact CG1-CD1 3.67Å; V224-F226 HydrophobicContact CG1-CE1 3.67Å; F226-H228 PolarHBondContact O-N 2.89Å; F226-H228 VanDerWaalsContact O-N 3.1Å; F226-F229 PolarHBondContact O-N 3.16Å; F226-V248 HydrophobicContact CE1-CG1 3.84Å; F226-V248 HydrophobicContact CZ-CG1 3.95Å; F226-V249 PolarHBondContact N-O 3.42Å; F226-S250 WeakPolarHBondContact CD2-OG 3.45Å; F226-L252 HydrophobicContact CB-CD1 3.48Å; F226-L252 VanDerWaalsContact CB-CD1 3.48Å; F226-L252 HydrophobicContact CB-CG 3.86Å; F226-W256 HydrophobicContact CB-CH2 3.89Å; F226-W256 HydrophobicContact CB-CZ2 3.76Å; F226-W256 HydrophobicContact CD1-CH2 4.08Å; F226-W256 AromaticContact CG-CH2 3.94Å; F226-W256 HydrophobicContact CG-CH2 3.94Å; F226-W256 HydrophobicContact CG-CZ2 4.27Å; F226-M261 HydrophobicContact CE1-CE 4.17Å; F226-M261 HydrophobicContact CE1-SD 4.46Å; F226-M261 HydrophobicContact CE2-CE 4.22Å; F226-M261 HydrophobicContact CZ-CE 3.6Å; F226-M261 HydrophobicContact CZ-SD 4.03Å; F226-V275 HydrophobicContact CD2-CG2 4.15Å; F226-V275 HydrophobicContact CE2-CG2 3.64Å; F226-V275 HydrophobicContact CZ-CG2 3.95Å
227	A	88.4	Confident	93.5	Very high	4 Å²	4	39 Å²	39	3%	0.033	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63.6	-11.1	171.6	0	0	0	0	0	115.2	N225 S251 L252	N225-A227 PolarHBondContact O-N 3.13Å; N225-A227 VanDerWaalsContact O-N 3.13Å; N225-A227 VanDerWaalsContact OD1-CB 3.29Å; N225-A227 WeakPolarHBondContact OD1-CB 3.42Å; N225-A227 PolarHBondContact OD1-N 3.25Å; A227-S251 WeakPolarHBondContact CB-O 3.46Å; A227-S251 WeakPolarHBondContact CB-OG 3.45Å; A227-L252 HydrophobicContact CB-CD2 4.19Å
228	H	89.6	Confident	93.5	Very high	48 Å²	48	38.4 Å²	38.4	22%	0.222	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-77.6	-8.8	171.2	-62.1	171.2	0	0	0	113.3	L200 N225 F226 P230	L200-H228 HydrophobicContact CB-CB 4.19Å; L200-H228 PolarHBondContact O-CE1 3.05Å; L200-H228 VanDerWaalsContact O-CE1 3.31Å; L200-H228 PolarHBondContact O-ND1 2.79Å; L200-H228 VanDerWaalsContact O-ND1 3.15Å; N225-H228 WeakPolarHBondContact O-CB 3.32Å; N225-H228 PolarHBondContact O-N 2.98Å; F226-H228 PolarHBondContact O-N 2.89Å; F226-H228 VanDerWaalsContact O-N 3.1Å; H228-P230 WeakPolarHBondContact O-CD 3.47Å
229	F	89.3	Confident	93.5	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	18%	0.182	C	C	.	.	S	Bend	trans	-111.6	61.3	178.4	-55	-78.2	0	0	0	112	L200 F205 L214 L216 V224 F226 R231 L232 W256	L200-F229 HydrophobicContact CD1-CE1 3.87Å; L200-F229 HydrophobicContact CD1-CE2 4.31Å; L200-F229 HydrophobicContact CD1-CZ 3.46Å; L200-F229 VanDerWaalsContact CD1-CZ 3.46Å; F205-F229 AromaticContact CD2-CD1 3.61Å; F205-F229 HydrophobicContact CD2-CD1 3.61Å; F205-F229 AromaticContact CD2-CE1 3.82Å; F205-F229 HydrophobicContact CD2-CE1 3.82Å; F205-F229 AromaticContact CE2-CD1 3.93Å; F205-F229 HydrophobicContact CE2-CD1 3.93Å; F205-F229 AromaticContact CE2-CE1 3.61Å; F205-F229 HydrophobicContact CE2-CE1 3.61Å; F205-F229 HydrophobicContact CG-CD1 4.37Å; F205-F229 HydrophobicContact CZ-CE1 4.42Å; L214-F229 HydrophobicContact CD2-CD1 3.89Å; L214-F229 HydrophobicContact CD2-CE1 3.75Å; L216-F229 HydrophobicContact CD1-CE1 3.87Å; L216-F229 HydrophobicContact CD1-CZ 4.08Å; V224-F229 HydrophobicContact CG1-CE2 4.49Å; F226-F229 PolarHBondContact O-N 3.16Å; F229-R231 PolarHBondContact O-N 3.33Å; F229-L232 HydrophobicContact CB-CD1 3.81Å; F229-L232 HydrophobicContact CB-CG 4.16Å; F229-L232 HydrophobicContact CD1-CD1 4.03Å; F229-L232 HydrophobicContact CG-CD1 4.36Å; F229-W256 HydrophobicContact CB-CH2 3.98Å; F229-W256 HydrophobicContact CB-CZ2 3.76Å; F229-W256 AromaticContact CD2-CH2 3.85Å; F229-W256 HydrophobicContact CD2-CH2 3.85Å; F229-W256 HydrophobicContact CD2-CZ2 4.29Å; F229-W256 HydrophobicContact CG-CH2 4.17Å; F229-W256 HydrophobicContact CG-CZ2 4.42Å
230	P	80.9	Confident	93.4	Very high	18 Å²	18	36 Å²	36	12%	0.117	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	123.4	-171	26.6	-34.7	0	0	0	112.9	N203 H228 L232 W254	N203-P230 HydrophobicContact CB-CG 4.43Å; N203-P230 WeakPolarHBondContact OD1-CG 3.43Å; H228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-L232 VanDerWaalsContact C-N 3.32Å; P230-L232 PolarHBondContact O-N 2.92Å; P230-W254 HydrophobicContact CB-CH2 4.17Å; P230-W254 HydrophobicContact CB-CZ2 4.5Å
231	R	83.3	Confident	93.5	Very high	167 Å²	167	37.7 Å²	37.7	63%	0.63	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	35.3	172.7	-55.4	179.8	178	177.9	-1.7	114.8	F209 F229 I233	F209-R231 HydrophobicContact CD1-CB 4.32Å; F209-R231 HydrophobicContact CE1-CB 4.26Å; F229-R231 PolarHBondContact O-N 3.33Å; R231-I233 PolarHBondContact O-N 3.49Å
232	L	91.6	Very high	93.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.205	C	C	.	.			trans	-74.8	53.1	167.4	-57	-167.1	0	0	0	111.6	F205 L208 L211 L214 F229 P230 S234 L235	F205-L232 HydrophobicContact CB-CD1 4.38Å; F205-L232 HydrophobicContact CB-CD2 4.3Å; L208-L232 HydrophobicContact CB-CD2 3.67Å; L211-L232 HydrophobicContact CD2-CD1 4.21Å; L214-L232 HydrophobicContact CD2-CD1 4.21Å; F229-L232 HydrophobicContact CB-CD1 3.81Å; F229-L232 HydrophobicContact CB-CG 4.16Å; F229-L232 HydrophobicContact CD1-CD1 4.03Å; F229-L232 HydrophobicContact CG-CD1 4.36Å; P230-L232 VanDerWaalsContact C-N 3.32Å; P230-L232 PolarHBondContact O-N 2.92Å; L232-S234 PolarHBondContact O-N 3.39Å; L232-L235 HydrophobicContact CB-CB 4.1Å; L232-L235 HydrophobicContact CB-CD2 4.4Å; L232-L235 HydrophobicContact CD1-CD2 4.15Å; L232-L235 VanDerWaalsContact O-CB 3.26Å; L232-L235 WeakPolarHBondContact O-CB 3.41Å; L232-L235 PolarHBondContact O-N 3.25Å
233	I	90.3	Very high	93.6	Very high	103 Å²	103	40 Å²	40	53%	0.528	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.2	-169.9	60.3	173	0	0	0	114.9	R231	R231-I233 PolarHBondContact O-N 3.49Å
234	S	94.4	Very high	93.6	Very high	38 Å²	38	39.2 Å²	39.2	27%	0.266	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5	178.3	-56.9	0	0	0	0	113.4	F209 L211 T212 L232 H236	F209-S234 WeakPolarHBondContact O-CB 3.19Å; F209-S234 PolarHBondContact O-OG 3.01Å; L211-S234 CarbonylContact O-C 3.01Å; L211-S234 VanDerWaalsContact O-O 3.06Å; T212-S234 WeakPolarHBondContact CA-O 3.41Å; L232-S234 PolarHBondContact O-N 3.39Å; S234-H236 PolarHBondContact O-CE1 3.3Å; S234-H236 VanDerWaalsContact O-CE1 3.29Å; S234-H236 PolarHBondContact O-N 2.98Å; S234-H236 PolarHBondContact O-ND1 2.99Å
235	L	96	Very high	93.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.			trans	-75.4	120.1	-172.1	-168.4	70.1	0	0	0	110.9	L211 L214 L232 S237 L238 W256 N257 L258	L211-L235 HydrophobicContact CD2-CD1 4.15Å; L211-L235 HydrophobicContact CG-CD1 4.25Å; L211-L235 WeakPolarHBondContact O-CA 3.08Å; L211-L235 PolarHBondContact O-N 3.18Å; L211-L235 VanDerWaalsContact O-N 3.09Å; L214-L235 HydrophobicContact CB-CD1 3.92Å; L232-L235 HydrophobicContact CB-CB 4.1Å; L232-L235 HydrophobicContact CB-CD2 4.4Å; L232-L235 HydrophobicContact CD1-CD2 4.15Å; L232-L235 VanDerWaalsContact O-CB 3.26Å; L232-L235 WeakPolarHBondContact O-CB 3.41Å; L232-L235 PolarHBondContact O-N 3.25Å; L235-S237 WeakPolarHBondContact CD1-O 3.2Å; L235-L238 HydrophobicContact CD2-CB 4.26Å; L235-W256 HydrophobicContact CD2-CZ3 4.44Å; L235-N257 CarbonylContact O-C 3.36Å; L235-N257 VanDerWaalsContact O-O 3.05Å; L235-L258 HydrophobicContact CB-CD1 4.36Å; L235-L258 HydrophobicContact CD2-CD1 3.95Å; L235-L258 HydrophobicContact CG-CD1 3.78Å; L235-L258 WeakPolarHBondContact O-CA 3.48Å; L235-L258 PolarHBondContact O-N 2.82Å
236	H	96.9	Very high	94	Very high	69 Å²	69	38.9 Å²	38.9	32%	0.319	18%	0.181	S	C	.	.			trans	-104.1	-30	177.8	-63	55.5	0	0	0	111.7	T212 S234 E259 K260	T212-H236 PolarHBondContact O-N 2.92Å; S234-H236 PolarHBondContact O-CE1 3.3Å; S234-H236 VanDerWaalsContact O-CE1 3.29Å; S234-H236 PolarHBondContact O-N 2.98Å; S234-H236 PolarHBondContact O-ND1 2.99Å; H236-E259 HydrophobicContact CB-CG 4.34Å; H236-E259 IonicContact CD2-OE2 3.81Å; H236-E259 PolarHBondContact O-N 3.07Å; H236-K260 PolarHBondContact O-N 2.87Å
237	S	98.2	Very high	94.2	Very high	20 Å²	20	41.8 Å²	41.8	14%	0.14	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.6	-172.3	-176.5	0	0	0	0	110.8	T212 E213 L214 L235	T212-S237 PolarHBondContact O-N 3.32Å; E213-S237 WeakPolarHBondContact CA-O 3.22Å; E213-S237 WeakPolarHBondContact OE1-CB 3.42Å; E213-S237 PolarHBondContact OE1-OG 2.98Å; L214-S237 PolarHBondContact N-O 3.23Å; L235-S237 WeakPolarHBondContact CD1-O 3.2Å
238	L	97.9	Very high	94.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.9	176.3	177.9	58.8	0	0	0	110.4	L214 L235 L240 W256 L258 K260 M261 D262	L214-L238 HydrophobicContact CB-CD1 4.1Å; L214-L238 HydrophobicContact CD2-CD1 4.01Å; L214-L238 HydrophobicContact CG-CD1 4.05Å; L235-L238 HydrophobicContact CD2-CB 4.26Å; L238-L240 HydrophobicContact CD1-CD1 4.33Å; L238-L240 HydrophobicContact CD1-CG 4.26Å; L238-L240 HydrophobicContact CD2-CD1 3.88Å; L238-L240 HydrophobicContact CG-CD1 3.97Å; L238-L240 HydrophobicContact CG-CG 4.22Å; L238-W256 HydrophobicContact CD2-CH2 4.39Å; L238-W256 HydrophobicContact CD2-CZ3 3.91Å; L238-L258 HydrophobicContact CB-CD1 3.94Å; L238-L258 HydrophobicContact CB-CD2 4.26Å; L238-K260 PolarHBondContact N-O 3.24Å; L238-M261 WeakPolarHBondContact O-CA 3.32Å; L238-D262 PolarHBondContact O-N 3.37Å
239	C	98.4	Very high	94.8	Very high	15 Å²	15	40.2 Å²	40.2	10%	0.101	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.2	179.3	-167.1	0	0	0	0	110.8	L214 L216 E217	L214-C239 PolarHBondContact O-N 3.09Å; L216-C239 CarbonylContact C-O 3.59Å; L216-C239 WeakPolarHBondContact CA-O 3.36Å; L216-C239 WeakPolarHBondContact CB-O 3.46Å; L216-C239 PolarHBondContact N-O 2.76Å; E217-C239 PolarHBondContact N-O 2.81Å; E217-C239 PolarHBondContact OE2-SG 2.84Å; E217-C239 VanDerWaalsContact OE2-SG 3.33Å
240	L	98.2	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.			trans	-121.4	10.6	178.5	-75.5	162.6	0	0	0	112	L216 L221 V224 L238 N243 D262 L263 N266	L216-L240 HydrophobicContact CB-CD2 3.9Å; L216-L240 HydrophobicContact CD1-CD2 4Å; L221-L240 HydrophobicContact CD1-CD2 3.86Å; V224-L240 HydrophobicContact CG1-CD1 4.32Å; V224-L240 HydrophobicContact CG2-CD1 4.11Å; V224-L240 HydrophobicContact CG2-CD2 4.46Å; L238-L240 HydrophobicContact CD1-CD1 4.33Å; L238-L240 HydrophobicContact CD1-CG 4.26Å; L238-L240 HydrophobicContact CD2-CD1 3.88Å; L238-L240 HydrophobicContact CG-CD1 3.97Å; L238-L240 HydrophobicContact CG-CG 4.22Å; L240-N243 PolarHBondContact O-ND2 2.91Å; L240-D262 CarbonylContact C-O 3.57Å; L240-D262 WeakPolarHBondContact CA-O 3.36Å; L240-D262 WeakPolarHBondContact CB-O 3.37Å; L240-D262 PolarHBondContact N-O 2.96Å; L240-L263 HydrophobicContact CB-CD2 3.85Å; L240-L263 HydrophobicContact CD1-CD2 3.92Å; L240-N266 PolarHBondContact O-ND2 3.07Å
241	R	98.1	Very high	94.9	Very high	79 Å²	79	43.5 Å²	43.5	30%	0.298	21%	0.212	S	C	.	.			trans	-47.7	139.4	179.9	179.1	163.7	-149.7	174.7	13.4	113.2	E217 H218 N243 D262 S264	E217-R241 CarbonylContact C-O 3.43Å; E217-R241 WeakPolarHBondContact CA-O 3.29Å; E217-R241 HydrophobicContact CB-CB 3.93Å; E217-R241 WeakPolarHBondContact CB-O 3.44Å; H218-R241 PolarHBondContact N-O 2.98Å; R241-N243 PolarHBondContact O-N 3.46Å; R241-D262 PolarHBondContact N-O 2.93Å; R241-S264 CarbonylContact C-O 3.24Å; R241-S264 VanDerWaalsContact CA-O 3.28Å; R241-S264 WeakPolarHBondContact CA-O 3.33Å; R241-S264 WeakPolarHBondContact CD-OG 3.45Å; R241-S264 WeakPolarHBondContact CG-O 3.29Å; R241-S264 WeakPolarHBondContact CG-OG 3.15Å; R241-S264 PolarHBondContact NE-OG 3.23Å
242	R	98.1	Very high	94.6	Very high	125 Å²	125	36.5 Å²	36.5	47%	0.472	19%	0.187	S	C	.	.	S	Bend	trans	52.4	53.7	175.7	-67.1	165.3	174.5	170.6	-3.5	112.6	H218 N219 S264 G265	H218-R242 WeakPolarHBondContact CA-O 3.14Å; H218-R242 VanDerWaalsContact CE1-CD 3.45Å; H218-R242 WeakPolarHBondContact CE1-CD 3.04Å; H218-R242 PolarHBondContact CE1-NH1 3.34Å; H218-R242 PolarHBondContact N-O 2.75Å; H218-R242 WeakPolarHBondContact NE2-CD 3.19Å; H218-R242 PolarHBondContact NE2-NH1 3.07Å; N219-R242 PolarHBondContact N-O 3.01Å; R242-S264 PolarHBondContact N-O 2.99Å; R242-G265 VanDerWaalsContact CA-O 3.29Å; R242-G265 WeakPolarHBondContact CA-O 3.42Å
243	N	98.6	Very high	93.9	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	22%	0.224	C	C	.	.	S	Bend	trans	-103.6	-162.7	158.9	-83.5	-94.4	0	0	0	108.3	L216 N219 L221 L240 R241 V245 N266	L216-N243 PolarHBondContact O-ND2 3.2Å; N219-N243 WeakPolarHBondContact CA-OD1 3.29Å; N219-N243 WeakPolarHBondContact CB-OD1 3.41Å; N219-N243 WeakPolarHBondContact O-CA 3.07Å; N219-N243 PolarHBondContact O-OD1 2.61Å; L221-N243 HydrophobicContact CB-CB 4.1Å; L221-N243 VanDerWaalsContact CB-OD1 3.23Å; L221-N243 WeakPolarHBondContact CB-OD1 3.27Å; L221-N243 WeakPolarHBondContact CG-OD1 3.2Å; L221-N243 PolarHBondContact N-OD1 3.33Å; L240-N243 PolarHBondContact O-ND2 2.91Å; R241-N243 PolarHBondContact O-N 3.46Å; N243-V245 HydrophobicContact CB-CG2 3.86Å; N243-N266 WeakPolarHBondContact CA-OD1 3.28Å; N243-N266 WeakPolarHBondContact CB-OD1 3.2Å; N243-N266 PolarHBondContact N-OD1 2.76Å; N243-N266 PolarHBondContact O-OD1 2.82Å
244	K	98	Very high	93.4	Very high	96 Å²	96	41.5 Å²	41.5	42%	0.417	21%	0.211	S	C	.	.			trans	-115.4	31.4	176.9	-67.4	172.1	176.4	159.9	0	110.8	D220 L221 V222 A246 N266	D220-K244 WeakPolarHBondContact OD1-CE 3.38Å; D220-K244 IonicContact OD1-NZ 3.13Å; D220-K244 PolarHBondContact OD1-NZ 3.17Å; L221-K244 CarbonylContact O-C 3.56Å; L221-K244 WeakPolarHBondContact O-CA 3.43Å; L221-K244 PolarHBondContact O-N 2.91Å; V222-K244 WeakPolarHBondContact CA-O 3.01Å; V222-K244 HydrophobicContact CG2-CB 4.46Å; K244-A246 PolarHBondContact O-N 2.84Å; K244-A246 VanDerWaalsContact O-N 3.09Å; K244-N266 PolarHBondContact N-OD1 3.32Å
245	V	98.3	Very high	93	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.			trans	-70.3	111.7	-168.8	-179.3	0	0	0	0	108.5	L221 V222 V224 N243 I247 V248 N266 E267 I268	L221-V245 HydrophobicContact CB-CG2 4.27Å; L221-V245 WeakPolarHBondContact O-CA 3.21Å; L221-V245 VanDerWaalsContact O-CG2 3.26Å; L221-V245 WeakPolarHBondContact O-CG2 3.27Å; L221-V245 PolarHBondContact O-N 3.07Å; V222-V245 WeakPolarHBondContact O-CA 3.23Å; V224-V245 HydrophobicContact CB-CG1 4.16Å; V224-V245 HydrophobicContact CG2-CB 4.39Å; V224-V245 HydrophobicContact CG2-CG1 3.76Å; V224-V245 HydrophobicContact CG2-CG2 3.63Å; N243-V245 HydrophobicContact CB-CG2 3.86Å; V245-I247 WeakPolarHBondContact CG1-O 3.25Å; V245-V248 HydrophobicContact CG1-CG2 4.05Å; V245-N266 HydrophobicContact CB-CB 4.28Å; V245-N266 WeakPolarHBondContact CB-OD1 3.23Å; V245-N266 VanDerWaalsContact CG2-OD1 3.31Å; V245-N266 WeakPolarHBondContact CG2-OD1 3.35Å; V245-N266 PolarHBondContact N-OD1 3.02Å; V245-N266 VanDerWaalsContact N-OD1 3.07Å; V245-E267 CarbonylContact O-C 3.11Å; V245-E267 PolarHBondContact O-N 3.24Å; V245-E267 VanDerWaalsContact O-N 3.16Å; V245-I268 HydrophobicContact CB-CG1 4.34Å; V245-I268 HydrophobicContact CG1-CG1 4.22Å; V245-I268 VanDerWaalsContact O-CA 3.26Å; V245-I268 WeakPolarHBondContact O-CA 3.48Å; V245-I268 WeakPolarHBondContact O-CG1 3.19Å; V245-I268 PolarHBondContact O-N 3.46Å
246	A	97.6	Very high	92.7	Very high	24 Å²	24	44 Å²	44	20%	0.198	22%	0.224	C	C	.	.			trans	-91.8	-27.7	174.9	0	0	0	0	0	112.7	V222 K244 E267 E269 Y270	V222-A246 PolarHBondContact O-N 3.21Å; K244-A246 PolarHBondContact O-N 2.84Å; K244-A246 VanDerWaalsContact O-N 3.09Å; A246-E267 WeakPolarHBondContact CA-O 3.44Å; A246-E269 PolarHBondContact O-N 3.35Å; A246-Y270 PolarHBondContact O-N 3.45Å
247	I	96.6	Very high	92.4	Very high	62 Å²	62	44 Å²	44	32%	0.318	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.7	-171.7	-66.1	172.3	0	0	0	110.7	K223 V224 V245 V249 Y270	K223-I247 HydrophobicContact CD-CB 4.35Å; K223-I247 HydrophobicContact CD-CG2 4.08Å; K223-I247 HydrophobicContact CG-CB 4.24Å; K223-I247 HydrophobicContact CG-CG2 4.22Å; V224-I247 PolarHBondContact N-O 2.97Å; V245-I247 WeakPolarHBondContact CG1-O 3.25Å; I247-V249 HydrophobicContact CG2-CG1 3.8Å; I247-Y270 WeakPolarHBondContact CA-O 3.29Å; I247-Y270 HydrophobicContact CG2-CD1 4.34Å
248	V	96.6	Very high	92.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.9	171.2	-160.9	0	0	0	0	110.2	V224 F226 V245 I268 Y270 M271 E272 V275	V224-V248 HydrophobicContact CB-CG1 4.28Å; V224-V248 HydrophobicContact CG1-CG1 4.19Å; F226-V248 HydrophobicContact CE1-CG1 3.84Å; F226-V248 HydrophobicContact CZ-CG1 3.95Å; V245-V248 HydrophobicContact CG1-CG2 4.05Å; V248-I268 HydrophobicContact CG2-CD1 3.9Å; V248-I268 HydrophobicContact CG2-CG1 4.22Å; V248-I268 HydrophobicContact CG2-CG2 4.17Å; V248-Y270 PolarHBondContact N-O 2.96Å; V248-Y270 VanDerWaalsContact N-O 3.1Å; V248-M271 HydrophobicContact CB-CG 4.3Å; V248-M271 HydrophobicContact CG2-CG 4.25Å; V248-E272 PolarHBondContact O-N 2.86Å; V248-V275 HydrophobicContact CG1-CG2 3.91Å
249	V	94.6	Very high	92.2	Very high	18 Å²	18	45.8 Å²	45.8	11%	0.109	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.6	-179.4	-64.4	0	0	0	0	111.6	K223 V224 N225 F226 I247 E272	K223-V249 VanDerWaalsContact CE-CG2 3.46Å; V224-V249 PolarHBondContact O-N 2.95Å; N225-V249 WeakPolarHBondContact CA-O 3.47Å; N225-V249 HydrophobicContact CB-CG2 3.67Å; F226-V249 PolarHBondContact N-O 3.42Å; I247-V249 HydrophobicContact CG2-CG1 3.8Å; V249-E272 VanDerWaalsContact CA-OE2 3.25Å; V249-E272 WeakPolarHBondContact CA-OE2 3.46Å; V249-E272 HydrophobicContact CB-CB 4.46Å; V249-E272 VanDerWaalsContact CB-OE2 3.25Å; V249-E272 WeakPolarHBondContact CB-OE2 3.42Å; V249-E272 HydrophobicContact CG1-CB 4.14Å
250	S	89.2	Confident	92.1	Very high	19 Å²	19	50.2 Å²	50.2	13%	0.133	25%	0.25	C	C	.	.			trans	-136.7	91.7	176.8	-165.2	0	0	0	0	111.9	F226 L252 E272 T278	F226-S250 WeakPolarHBondContact CD2-OG 3.45Å; S250-L252 PolarHBondContact O-N 3.24Å; S250-L252 WeakPolarHBondContact OG-CB 3.49Å; S250-E272 PolarHBondContact N-OE2 3.16Å; S250-T278 PolarHBondContact OG-OG1 3.42Å
251	S	82.3	Confident	92.1	Very high	69 Å²	69	50.3 Å²	50.3	48%	0.483	25%	0.25	S	S	.	.			trans	-87.7	60.5	165.7	68.2	0	0	0	0	110.1	N225 A227	N225-S251 PolarHBondContact ND2-OG 3.01Å; N225-S251 PolarHBondContact OD1-N 3.16Å; N225-S251 PolarHBondContact OD1-OG 3.1Å; A227-S251 WeakPolarHBondContact CB-O 3.46Å; A227-S251 WeakPolarHBondContact CB-OG 3.45Å
252	L	76.9	Confident	92.2	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.105	24%	0.24	C	C	.	.			trans	-113.4	127.4	-174.2	-81.8	-171	0	0	0	113.6	F226 A227 S250 W254 W256 T278	F226-L252 HydrophobicContact CB-CD1 3.48Å; F226-L252 VanDerWaalsContact CB-CD1 3.48Å; F226-L252 HydrophobicContact CB-CG 3.86Å; A227-L252 HydrophobicContact CB-CD2 4.19Å; S250-L252 PolarHBondContact O-N 3.24Å; S250-L252 WeakPolarHBondContact OG-CB 3.49Å; L252-W254 VanDerWaalsContact C-N 3.29Å; L252-W254 HydrophobicContact CD2-CD2 4.16Å; L252-W254 HydrophobicContact CD2-CE3 4.17Å; L252-W254 HydrophobicContact CD2-CH2 3.31Å; L252-W254 HydrophobicContact CD2-CZ2 3.27Å; L252-W254 HydrophobicContact CD2-CZ3 3.79Å; L252-W254 PolarHBondContact O-N 3.32Å; L252-W256 HydrophobicContact CD1-CZ2 3.82Å; L252-W256 VanDerWaalsContact CD1-NE1 3.29Å; L252-T278 HydrophobicContact CB-CG2 4.13Å
253	D	76.4	Confident	92.2	Very high	145 Å²	145	41.4 Å²	41.4	78%	0.775	22%	0.218	S	C	*	.	S	Bend	trans	-87.7	10.5	175.7	-34.8	-72	0	0	0	113.2
254	W	80.8	Confident	92.1	Very high	64 Å²	64	41.1 Å²	41.1	24%	0.242	22%	0.216	C	C	.	.	S	Bend	trans	-150.9	156.2	-177.1	73.3	83.1	0	0	0	113.6	P230 L252 W256	P230-W254 HydrophobicContact CB-CH2 4.17Å; P230-W254 HydrophobicContact CB-CZ2 4.5Å; L252-W254 VanDerWaalsContact C-N 3.29Å; L252-W254 HydrophobicContact CD2-CD2 4.16Å; L252-W254 HydrophobicContact CD2-CE3 4.17Å; L252-W254 HydrophobicContact CD2-CH2 3.31Å; L252-W254 HydrophobicContact CD2-CZ2 3.27Å; L252-W254 HydrophobicContact CD2-CZ3 3.79Å; L252-W254 PolarHBondContact O-N 3.32Å; W254-W256 AromaticContact CD1-CD1 3.69Å; W254-W256 AromaticContact CD1-NE1 3.97Å; W254-W256 AromaticContact NE1-CD1 3.37Å; W254-W256 AromaticContact NE1-NE1 3.23Å
255	V	86.5	Confident	92.1	Very high	87 Å²	87	37.7 Å²	37.7	53%	0.527	21%	0.209	S	C	.	.			trans	-90	145.5	-178.5	178.6	0	0	0	0	111.8	T278 P280	V255-T278 WeakPolarHBondContact CA-O 3.22Å; V255-P280 VanDerWaalsContact CG1-CD 3.43Å; V255-P280 HydrophobicContact CG1-CG 3.7Å
256	W	88.2	Confident	92.2	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.011	21%	0.211	C	C	.	.			trans	-104.8	148.6	171.1	-60.1	3.7	0	0	0	111.8	F226 F229 L235 L238 L252 W254 L258 T278 V279	F226-W256 HydrophobicContact CB-CH2 3.89Å; F226-W256 HydrophobicContact CB-CZ2 3.76Å; F226-W256 HydrophobicContact CD1-CH2 4.08Å; F226-W256 AromaticContact CG-CH2 3.94Å; F226-W256 HydrophobicContact CG-CH2 3.94Å; F226-W256 HydrophobicContact CG-CZ2 4.27Å; F229-W256 HydrophobicContact CB-CH2 3.98Å; F229-W256 HydrophobicContact CB-CZ2 3.76Å; F229-W256 AromaticContact CD2-CH2 3.85Å; F229-W256 HydrophobicContact CD2-CH2 3.85Å; F229-W256 HydrophobicContact CD2-CZ2 4.29Å; F229-W256 HydrophobicContact CG-CH2 4.17Å; F229-W256 HydrophobicContact CG-CZ2 4.42Å; L235-W256 HydrophobicContact CD2-CZ3 4.44Å; L238-W256 HydrophobicContact CD2-CH2 4.39Å; L238-W256 HydrophobicContact CD2-CZ3 3.91Å; L252-W256 HydrophobicContact CD1-CZ2 3.82Å; L252-W256 VanDerWaalsContact CD1-NE1 3.29Å; W254-W256 AromaticContact CD1-CD1 3.69Å; W254-W256 AromaticContact CD1-NE1 3.97Å; W254-W256 AromaticContact NE1-CD1 3.37Å; W254-W256 AromaticContact NE1-NE1 3.23Å; W256-L258 HydrophobicContact CB-CB 4.27Å; W256-L258 HydrophobicContact CE3-CB 4.29Å; W256-L258 HydrophobicContact CE3-CD2 4.18Å; W256-L258 HydrophobicContact CZ3-CD2 4.39Å; W256-L258 PolarHBondContact O-N 3.38Å; W256-T278 PolarHBondContact N-O 3.41Å; W256-V279 HydrophobicContact CB-CG1 4.06Å; W256-V279 HydrophobicContact CD2-CG1 4.33Å; W256-V279 HydrophobicContact CE3-CG1 3.92Å; W256-V279 HydrophobicContact CG-CG1 4.44Å
257	N	90.1	Very high	92.2	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	22%	0.217	S	C	.	.			trans	-90.2	46.3	169	-163.5	87.3	0	0	0	111.5	L235	L235-N257 CarbonylContact O-C 3.36Å; L235-N257 VanDerWaalsContact O-O 3.05Å
258	L	94.8	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.			trans	-79.5	124.9	-177.9	-166.9	78.3	0	0	0	110.3	L235 L238 W256 M261 V279 H281 L282	L235-L258 HydrophobicContact CB-CD1 4.36Å; L235-L258 HydrophobicContact CD2-CD1 3.95Å; L235-L258 HydrophobicContact CG-CD1 3.78Å; L235-L258 WeakPolarHBondContact O-CA 3.48Å; L235-L258 PolarHBondContact O-N 2.82Å; L238-L258 HydrophobicContact CB-CD1 3.94Å; L238-L258 HydrophobicContact CB-CD2 4.26Å; W256-L258 HydrophobicContact CB-CB 4.27Å; W256-L258 HydrophobicContact CE3-CB 4.29Å; W256-L258 HydrophobicContact CE3-CD2 4.18Å; W256-L258 HydrophobicContact CZ3-CD2 4.39Å; W256-L258 PolarHBondContact O-N 3.38Å; L258-M261 HydrophobicContact CD2-CB 4.01Å; L258-M261 HydrophobicContact CD2-CE 3.38Å; L258-M261 HydrophobicContact CD2-CG 4.44Å; L258-V279 HydrophobicContact CB-CG1 3.97Å; L258-V279 HydrophobicContact CD2-CG1 4.2Å; L258-H281 CarbonylContact O-C 3.31Å; L258-H281 VanDerWaalsContact O-C 3.31Å; L258-L282 HydrophobicContact CD2-CD1 4.16Å; L258-L282 HydrophobicContact CG-CD1 4.41Å; L258-L282 VanDerWaalsContact O-CA 3.29Å; L258-L282 WeakPolarHBondContact O-CA 3.46Å; L258-L282 PolarHBondContact O-N 3.24Å
259	E	97.1	Very high	92.3	Very high	59 Å²	59	43.3 Å²	43.3	28%	0.276	23%	0.229	S	C	.	.			trans	-94.7	-29.6	177.8	-57.4	-174.5	137.5	0	0	111.9	H236 Q283 S284	H236-E259 HydrophobicContact CB-CG 4.34Å; H236-E259 IonicContact CD2-OE2 3.81Å; H236-E259 PolarHBondContact O-N 3.07Å; E259-Q283 WeakPolarHBondContact O-CA 3.47Å; E259-Q283 WeakPolarHBondContact O-CB 3.3Å; E259-Q283 PolarHBondContact O-N 3.38Å; E259-Q283 PolarHBondContact OE1-NE2 2.94Å; E259-S284 PolarHBondContact O-N 2.79Å
260	K	98.3	Very high	92.3	Very high	109 Å²	109	47.8 Å²	47.8	47%	0.474	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	131.3	-173.1	-52.9	-174.6	-175.8	176.2	0	112.5	H236 L238 S284	H236-K260 PolarHBondContact O-N 2.87Å; L238-K260 PolarHBondContact N-O 3.24Å; K260-S284 WeakPolarHBondContact CA-O 3.35Å
261	M	97.9	Very high	92.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127	171.8	-167.5	178	-63.7	0	0	109.7	F226 L238 L258 L263 F276 V279 L282 S284 L285 Q286	F226-M261 HydrophobicContact CE1-CE 4.17Å; F226-M261 HydrophobicContact CE1-SD 4.46Å; F226-M261 HydrophobicContact CE2-CE 4.22Å; F226-M261 HydrophobicContact CZ-CE 3.6Å; F226-M261 HydrophobicContact CZ-SD 4.03Å; L238-M261 WeakPolarHBondContact O-CA 3.32Å; L258-M261 HydrophobicContact CD2-CB 4.01Å; L258-M261 HydrophobicContact CD2-CE 3.38Å; L258-M261 HydrophobicContact CD2-CG 4.44Å; M261-L263 HydrophobicContact CG-CD1 4.23Å; M261-L263 HydrophobicContact CG-CG 4.14Å; M261-L263 HydrophobicContact SD-CD1 3.64Å; M261-L263 HydrophobicContact SD-CG 4.15Å; M261-F276 HydrophobicContact SD-CE1 4.29Å; M261-V279 HydrophobicContact CE-CG1 4.47Å; M261-L282 HydrophobicContact CB-CD1 3.89Å; M261-S284 PolarHBondContact N-O 3.46Å; M261-L285 HydrophobicContact CB-CD1 4.18Å; M261-L285 WeakPolarHBondContact O-CA 3.47Å; M261-Q286 PolarHBondContact O-N 3.05Å
262	D	98.5	Very high	93.3	Very high	18 Å²	18	47 Å²	47	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.9	173.5	-171.8	-11.5	0	0	0	109.9	L238 L240 R241 S264 Q286	L238-D262 PolarHBondContact O-N 3.37Å; L240-D262 CarbonylContact C-O 3.57Å; L240-D262 WeakPolarHBondContact CA-O 3.36Å; L240-D262 WeakPolarHBondContact CB-O 3.37Å; L240-D262 PolarHBondContact N-O 2.96Å; R241-D262 PolarHBondContact N-O 2.93Å; D262-S264 WeakPolarHBondContact OD1-CB 3.49Å; D262-S264 PolarHBondContact OD1-N 2.96Å; D262-S264 PolarHBondContact OD1-OG 3.18Å; D262-Q286 HydrophobicContact CB-CB 4.48Å; D262-Q286 PolarHBondContact OD2-NE2 3.25Å; D262-Q286 VanDerWaalsContact OD2-NE2 3.09Å
263	L	98.2	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.			trans	-113.6	12.8	175.5	-74.5	167	0	0	0	111.3	L240 M261 N266 I268 Q286 L287 N290	L240-L263 HydrophobicContact CB-CD2 3.85Å; L240-L263 HydrophobicContact CD1-CD2 3.92Å; M261-L263 HydrophobicContact CG-CD1 4.23Å; M261-L263 HydrophobicContact CG-CG 4.14Å; M261-L263 HydrophobicContact SD-CD1 3.64Å; M261-L263 HydrophobicContact SD-CG 4.15Å; L263-N266 WeakPolarHBondContact O-CB 3.4Å; L263-N266 PolarHBondContact O-ND2 3.48Å; L263-I268 HydrophobicContact CB-CD1 3.94Å; L263-I268 HydrophobicContact CD1-CD1 4.19Å; L263-I268 HydrophobicContact CD2-CD1 4.27Å; L263-I268 HydrophobicContact CG-CD1 4.37Å; L263-Q286 CarbonylContact C-O 3.02Å; L263-Q286 WeakPolarHBondContact CA-O 3.29Å; L263-Q286 WeakPolarHBondContact CB-O 3.23Å; L263-Q286 PolarHBondContact N-O 3.01Å; L263-L287 HydrophobicContact CB-CD2 3.92Å; L263-L287 HydrophobicContact CD1-CD2 3.95Å; L263-N290 PolarHBondContact O-ND2 3.09Å
264	S	98.1	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	151.2	-174.6	61.6	0	0	0	0	113.3	R241 R242 D262 N266 Q286 D288	R241-S264 CarbonylContact C-O 3.24Å; R241-S264 VanDerWaalsContact CA-O 3.28Å; R241-S264 WeakPolarHBondContact CA-O 3.33Å; R241-S264 WeakPolarHBondContact CD-OG 3.45Å; R241-S264 WeakPolarHBondContact CG-O 3.29Å; R241-S264 WeakPolarHBondContact CG-OG 3.15Å; R241-S264 PolarHBondContact NE-OG 3.23Å; R242-S264 PolarHBondContact N-O 2.99Å; D262-S264 WeakPolarHBondContact OD1-CB 3.49Å; D262-S264 PolarHBondContact OD1-N 2.96Å; D262-S264 PolarHBondContact OD1-OG 3.18Å; S264-N266 VanDerWaalsContact C-N 3.32Å; S264-N266 PolarHBondContact O-N 3.27Å; S264-N266 PolarHBondContact O-ND2 2.96Å; S264-Q286 PolarHBondContact N-O 2.81Å; S264-D288 CarbonylContact C-O 3.4Å; S264-D288 WeakPolarHBondContact CA-O 3.36Å; S264-D288 VanDerWaalsContact CB-OD1 3.22Å; S264-D288 WeakPolarHBondContact CB-OD1 3.1Å; S264-D288 WeakPolarHBondContact CB-OD2 3.35Å
265	G	98	Very high	95.4	Very high	25 Å²	25	41.1 Å²	41.1	26%	0.258	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	29.5	176.7	0	0	0	0	0	114.2	R242 D288 S289	R242-G265 VanDerWaalsContact CA-O 3.29Å; R242-G265 WeakPolarHBondContact CA-O 3.42Å; G265-D288 PolarHBondContact N-O 2.86Å; G265-S289 CarbonylContact C-O 3.07Å; G265-S289 WeakPolarHBondContact CA-O 3.29Å; G265-S289 PolarHBondContact N-O 3.37Å; G265-S289 VanDerWaalsContact N-O 3.13Å
266	N	98.6	Very high	95.8	Very high	9 Å²	9	37 Å²	37	5%	0.048	18%	0.179	C	C	.	.	S	Bend	trans	-101.6	-165.6	176.4	-86	-83.7	0	0	0	110.2	L240 N243 K244 V245 L263 S264 I268 S289 N290	L240-N266 PolarHBondContact O-ND2 3.07Å; N243-N266 WeakPolarHBondContact CA-OD1 3.28Å; N243-N266 WeakPolarHBondContact CB-OD1 3.2Å; N243-N266 PolarHBondContact N-OD1 2.76Å; N243-N266 PolarHBondContact O-OD1 2.82Å; K244-N266 PolarHBondContact N-OD1 3.32Å; V245-N266 HydrophobicContact CB-CB 4.28Å; V245-N266 WeakPolarHBondContact CB-OD1 3.23Å; V245-N266 VanDerWaalsContact CG2-OD1 3.31Å; V245-N266 WeakPolarHBondContact CG2-OD1 3.35Å; V245-N266 PolarHBondContact N-OD1 3.02Å; V245-N266 VanDerWaalsContact N-OD1 3.07Å; L263-N266 WeakPolarHBondContact O-CB 3.4Å; L263-N266 PolarHBondContact O-ND2 3.48Å; S264-N266 VanDerWaalsContact C-N 3.32Å; S264-N266 PolarHBondContact O-N 3.27Å; S264-N266 PolarHBondContact O-ND2 2.96Å; N266-I268 HydrophobicContact CB-CD1 4.28Å; N266-I268 HydrophobicContact CB-CG1 4.01Å; N266-S289 PolarHBondContact N-O 2.65Å; N266-N290 WeakPolarHBondContact CA-OD1 3.47Å; N266-N290 WeakPolarHBondContact CB-OD1 3.49Å; N266-N290 PolarHBondContact O-OD1 3.04Å
267	E	98.2	Very high	95.9	Very high	68 Å²	68	41.9 Å²	41.9	32%	0.318	20%	0.201	S	C	.	.			trans	-117.7	29.3	-179.7	-59.9	-163.6	-124.7	0	0	111	V245 A246 E269 N290 R291	V245-E267 CarbonylContact O-C 3.11Å; V245-E267 PolarHBondContact O-N 3.24Å; V245-E267 VanDerWaalsContact O-N 3.16Å; A246-E267 WeakPolarHBondContact CA-O 3.44Å; E267-E269 PolarHBondContact O-N 2.68Å; E267-E269 VanDerWaalsContact O-N 3.13Å; E267-N290 PolarHBondContact N-OD1 2.86Å; E267-R291 WeakPolarHBondContact O-CD 3.28Å; E267-R291 IonicContact OE2-CZ 2.7Å; E267-R291 IonicContact OE2-NE 2.98Å; E267-R291 PolarHBondContact OE2-NE 3.43Å; E267-R291 VanDerWaalsContact OE2-NE 3.16Å; E267-R291 IonicContact OE2-NH2 3.3Å; E267-R291 PolarHBondContact OE2-NH2 3.2Å
268	I	98.4	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.			trans	-67.6	115.3	-165.9	-58.5	168	0	0	0	110.3	V245 V248 L263 N266 M271 L287 N290 R291 L292	V245-I268 HydrophobicContact CB-CG1 4.34Å; V245-I268 HydrophobicContact CG1-CG1 4.22Å; V245-I268 VanDerWaalsContact O-CA 3.26Å; V245-I268 WeakPolarHBondContact O-CA 3.48Å; V245-I268 WeakPolarHBondContact O-CG1 3.19Å; V245-I268 PolarHBondContact O-N 3.46Å; V248-I268 HydrophobicContact CG2-CD1 3.9Å; V248-I268 HydrophobicContact CG2-CG1 4.22Å; V248-I268 HydrophobicContact CG2-CG2 4.17Å; L263-I268 HydrophobicContact CB-CD1 3.94Å; L263-I268 HydrophobicContact CD1-CD1 4.19Å; L263-I268 HydrophobicContact CD2-CD1 4.27Å; L263-I268 HydrophobicContact CG-CD1 4.37Å; N266-I268 HydrophobicContact CB-CD1 4.28Å; N266-I268 HydrophobicContact CB-CG1 4.01Å; I268-M271 HydrophobicContact CG2-CG 3.76Å; I268-M271 HydrophobicContact CG2-SD 4.44Å; I268-L287 HydrophobicContact CD1-CD2 4.11Å; I268-N290 HydrophobicContact CB-CB 4.47Å; I268-N290 WeakPolarHBondContact CB-OD1 3.47Å; I268-N290 VanDerWaalsContact CG1-OD1 3.23Å; I268-N290 WeakPolarHBondContact CG1-OD1 3.31Å; I268-N290 PolarHBondContact N-OD1 3.01Å; I268-R291 CarbonylContact O-C 3.08Å; I268-R291 VanDerWaalsContact O-CA 3.31Å; I268-R291 WeakPolarHBondContact O-CA 3.36Å; I268-R291 WeakPolarHBondContact O-CB 3.37Å; I268-R291 PolarHBondContact O-N 3.27Å; I268-R291 VanDerWaalsContact O-N 3.1Å; I268-L292 HydrophobicContact CB-CD2 4.44Å; I268-L292 HydrophobicContact CG2-CD2 3.82Å; I268-L292 PolarHBondContact O-N 2.89Å; I268-L292 VanDerWaalsContact O-N 3.07Å
269	E	96.4	Very high	95.8	Very high	126 Å²	126	39.6 Å²	39.6	59%	0.589	19%	0.19	S	C	*	.			trans	-102.3	-31.5	174	-69	170.8	-178.7	0	0	111.1	A246 E267 R291	A246-E269 PolarHBondContact O-N 3.35Å; E267-E269 PolarHBondContact O-N 2.68Å; E267-E269 VanDerWaalsContact O-N 3.13Å; E269-R291 HydrophobicContact CG-CB 3.58Å; E269-R291 HydrophobicContact CG-CG 4.35Å; E269-R291 VanDerWaalsContact OE1-CD 3.28Å; E269-R291 WeakPolarHBondContact OE1-CD 3.35Å
270	Y	96	Very high	95.6	Very high	113 Å²	113	38.9 Å²	38.9	44%	0.443	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.7	-175.9	179.5	-98.9	0	0	0	113.6	A246 I247 V248 E272	A246-Y270 PolarHBondContact O-N 3.45Å; I247-Y270 WeakPolarHBondContact CA-O 3.29Å; I247-Y270 HydrophobicContact CG2-CD1 4.34Å; V248-Y270 PolarHBondContact N-O 2.96Å; V248-Y270 VanDerWaalsContact N-O 3.1Å; Y270-E272 HydrophobicContact CE1-CB 4.28Å
271	M	97.3	Very high	95.4	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132	171	-62.8	-172.1	-67.9	0	0	108.9	V248 I268 V275 F276 L287 L292 I295 I299	V248-M271 HydrophobicContact CB-CG 4.3Å; V248-M271 HydrophobicContact CG2-CG 4.25Å; I268-M271 HydrophobicContact CG2-CG 3.76Å; I268-M271 HydrophobicContact CG2-SD 4.44Å; M271-V275 HydrophobicContact CB-CG1 4.46Å; M271-F276 HydrophobicContact CE-CE2 4.48Å; M271-F276 HydrophobicContact SD-CE2 3.82Å; M271-F276 HydrophobicContact SD-CZ 4.22Å; M271-L287 HydrophobicContact CE-CD1 4.28Å; M271-L287 HydrophobicContact SD-CD1 4.4Å; M271-L287 HydrophobicContact SD-CD2 4.19Å; M271-L292 HydrophobicContact CE-CD1 3.87Å; M271-L292 HydrophobicContact CE-CD2 3.92Å; M271-L292 HydrophobicContact CG-CD2 4.47Å; M271-I295 HydrophobicContact CE-CG1 4.49Å; M271-I299 HydrophobicContact CB-CD1 3.78Å; M271-I299 HydrophobicContact CE-CD1 4.35Å
272	E	95.5	Very high	95.4	Very high	62 Å²	62	38.5 Å²	38.5	29%	0.29	19%	0.19	S	C	.	.			trans	-68.6	133.6	179	179.6	172.2	-127.4	0	0	111.4	V248 V249 S250 Y270 H274 V275	V248-E272 PolarHBondContact O-N 2.86Å; V249-E272 VanDerWaalsContact CA-OE2 3.25Å; V249-E272 WeakPolarHBondContact CA-OE2 3.46Å; V249-E272 HydrophobicContact CB-CB 4.46Å; V249-E272 VanDerWaalsContact CB-OE2 3.25Å; V249-E272 WeakPolarHBondContact CB-OE2 3.42Å; V249-E272 HydrophobicContact CG1-CB 4.14Å; S250-E272 PolarHBondContact N-OE2 3.16Å; Y270-E272 HydrophobicContact CE1-CB 4.28Å; E272-H274 PolarHBondContact O-N 3.13Å; E272-V275 HydrophobicContact CB-CB 4.32Å; E272-V275 WeakPolarHBondContact O-CB 3.33Å; E272-V275 WeakPolarHBondContact O-CG1 3.19Å; E272-V275 PolarHBondContact O-N 3.18Å
273	P	93.3	Very high	95.3	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.123	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.4	-169.1	-0.1	-15.8	0	0	0	116.2	E296 R298	P273-E296 WeakPolarHBondContact CB-OE2 3.36Å; P273-E296 WeakPolarHBondContact CG-OE2 3.31Å; P273-R298 HydrophobicContact CB-CB 3.94Å; P273-R298 HydrophobicContact CB-CG 4.4Å
274	H	91.3	Very high	95.3	Very high	85 Å²	85	42.5 Å²	42.5	39%	0.394	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.3	-176.8	-49.7	87	0	0	0	113.4	E272 F276 E277 R298	E272-H274 PolarHBondContact O-N 3.13Å; H274-F276 VanDerWaalsContact C-N 3.26Å; H274-F276 PolarHBondContact O-N 3.27Å; H274-F276 VanDerWaalsContact O-N 3.14Å; H274-E277 HydrophobicContact CB-CG 4.44Å; H274-E277 IonicContact CD2-OE1 3.45Å; H274-E277 PolarHBondContact CD2-OE1 3Å; H274-E277 IonicContact CD2-OE2 3.62Å; H274-E277 WeakPolarHBondContact O-CB 3.2Å; H274-E277 PolarHBondContact O-N 2.97Å; H274-R298 PolarHBondContact NE2-NH1 2.88Å
275	V	93.1	Very high	95.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-54.5	-40.8	-169.9	72.4	0	0	0	0	112.8	F226 V248 M271 E272 T278	F226-V275 HydrophobicContact CD2-CG2 4.15Å; F226-V275 HydrophobicContact CE2-CG2 3.64Å; F226-V275 HydrophobicContact CZ-CG2 3.95Å; V248-V275 HydrophobicContact CG1-CG2 3.91Å; M271-V275 HydrophobicContact CB-CG1 4.46Å; E272-V275 HydrophobicContact CB-CB 4.32Å; E272-V275 WeakPolarHBondContact O-CB 3.33Å; E272-V275 WeakPolarHBondContact O-CG1 3.19Å; E272-V275 PolarHBondContact O-N 3.18Å; V275-T278 PolarHBondContact O-OG1 3.04Å
276	F	93.7	Very high	95.3	Very high	2 Å²	2	44 Å²	44	1%	0.009	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-86.2	-11.1	-178	-72	-75.6	0	0	0	114.5	M261 M271 H274 T278 V279 L282 L285 I299 S302 W303	M261-F276 HydrophobicContact SD-CE1 4.29Å; M271-F276 HydrophobicContact CE-CE2 4.48Å; M271-F276 HydrophobicContact SD-CE2 3.82Å; M271-F276 HydrophobicContact SD-CZ 4.22Å; H274-F276 VanDerWaalsContact C-N 3.26Å; H274-F276 PolarHBondContact O-N 3.27Å; H274-F276 VanDerWaalsContact O-N 3.14Å; F276-T278 PolarHBondContact O-N 3.12Å; F276-T278 VanDerWaalsContact O-N 3.14Å; F276-V279 HydrophobicContact CB-CG2 4.25Å; F276-V279 HydrophobicContact CD1-CG2 3.75Å; F276-V279 HydrophobicContact CG-CG2 4.45Å; F276-V279 CarbonylContact O-C 3.56Å; F276-V279 WeakPolarHBondContact O-CG2 3.33Å; F276-V279 PolarHBondContact O-N 2.97Å; F276-L282 HydrophobicContact CD1-CD2 3.99Å; F276-L282 HydrophobicContact CE1-CD2 4.01Å; F276-L285 HydrophobicContact CD1-CD2 4.49Å; F276-L285 HydrophobicContact CE1-CD1 3.94Å; F276-L285 HydrophobicContact CE1-CD2 3.74Å; F276-L285 HydrophobicContact CZ-CD1 4.11Å; F276-L285 HydrophobicContact CZ-CD2 3.8Å; F276-I299 HydrophobicContact CD2-CG2 3.72Å; F276-I299 HydrophobicContact CE2-CG2 4.02Å; F276-S302 WeakPolarHBondContact CB-OG 3.26Å; F276-W303 AromaticContact CD1-NE1 3.69Å; F276-W303 HydrophobicContact CD2-CZ2 4.41Å; F276-W303 AromaticContact CD2-NE1 3.34Å; F276-W303 VanDerWaalsContact CD2-NE1 3.34Å; F276-W303 HydrophobicContact CE2-CZ2 4.03Å; F276-W303 AromaticContact CE2-NE1 3.7Å; F276-W303 AromaticContact CG-CD1 3.96Å; F276-W303 AromaticContact CG-NE1 3.35Å; F276-W303 VanDerWaalsContact CG-NE1 3.35Å; F276-W303 HydrophobicContact CZ-CZ2 4.38Å
277	E	91.8	Very high	95.3	Very high	104 Å²	104	43.5 Å²	43.5	49%	0.486	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.1	-24.4	173	-61.3	-176.2	175.2	0	0	111.5	H274 V279	H274-E277 HydrophobicContact CB-CG 4.44Å; H274-E277 IonicContact CD2-OE1 3.45Å; H274-E277 PolarHBondContact CD2-OE1 3Å; H274-E277 IonicContact CD2-OE2 3.62Å; H274-E277 WeakPolarHBondContact O-CB 3.2Å; H274-E277 PolarHBondContact O-N 2.97Å; E277-V279 VanDerWaalsContact C-N 3.31Å; E277-V279 PolarHBondContact O-N 3.5Å
278	T	90.3	Very high	95.3	Very high	17 Å²	17	41.3 Å²	41.3	10%	0.104	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-79.5	-6.6	177.2	67.6	0	0	0	0	114.4	S250 L252 V255 W256 V275 F276	S250-T278 PolarHBondContact OG-OG1 3.42Å; L252-T278 HydrophobicContact CB-CG2 4.13Å; V255-T278 WeakPolarHBondContact CA-O 3.22Å; W256-T278 PolarHBondContact N-O 3.41Å; V275-T278 PolarHBondContact O-OG1 3.04Å; F276-T278 PolarHBondContact O-N 3.12Å; F276-T278 VanDerWaalsContact O-N 3.14Å
279	V	92.8	Very high	95.2	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.024	22%	0.22	C	C	.	.			trans	-131.2	57.3	178.8	-73.6	0	0	0	0	112.2	W256 L258 M261 F276 E277 H281 L282	W256-V279 HydrophobicContact CB-CG1 4.06Å; W256-V279 HydrophobicContact CD2-CG1 4.33Å; W256-V279 HydrophobicContact CE3-CG1 3.92Å; W256-V279 HydrophobicContact CG-CG1 4.44Å; L258-V279 HydrophobicContact CB-CG1 3.97Å; L258-V279 HydrophobicContact CD2-CG1 4.2Å; M261-V279 HydrophobicContact CE-CG1 4.47Å; F276-V279 HydrophobicContact CB-CG2 4.25Å; F276-V279 HydrophobicContact CD1-CG2 3.75Å; F276-V279 HydrophobicContact CG-CG2 4.45Å; F276-V279 CarbonylContact O-C 3.56Å; F276-V279 WeakPolarHBondContact O-CG2 3.33Å; F276-V279 PolarHBondContact O-N 2.97Å; E277-V279 VanDerWaalsContact C-N 3.31Å; E277-V279 PolarHBondContact O-N 3.5Å; V279-H281 PolarHBondContact O-N 3.16Å; V279-H281 VanDerWaalsContact O-N 3.09Å; V279-L282 HydrophobicContact CG2-CD2 4.41Å; V279-L282 WeakPolarHBondContact O-CB 3.33Å; V279-L282 PolarHBondContact O-N 3.37Å
280	P	91.8	Very high	95.3	Very high	45 Å²	45	38.6 Å²	38.6	29%	0.292	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.7	-170.9	31.7	-37.5	0	0	0	114.3	V255 S305	V255-P280 VanDerWaalsContact CG1-CD 3.43Å; V255-P280 HydrophobicContact CG1-CG 3.7Å; P280-S305 WeakPolarHBondContact O-CB 3.48Å; P280-S305 PolarHBondContact O-OG 3Å
281	H	94.6	Very high	95.4	Very high	94 Å²	94	38 Å²	38	44%	0.435	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	12.8	179.5	-61	-43.8	0	0	0	113.6	L258 V279 Q283	L258-H281 CarbonylContact O-C 3.31Å; L258-H281 VanDerWaalsContact O-C 3.31Å; V279-H281 PolarHBondContact O-N 3.16Å; V279-H281 VanDerWaalsContact O-N 3.09Å; H281-Q283 PolarHBondContact O-N 3.02Å
282	L	96.7	Very high	95.4	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	19%	0.189	C	C	.	.			trans	-62.6	121.7	178.1	-168.2	65.8	0	0	0	110.6	L258 M261 F276 V279 L285 S305 L306	L258-L282 HydrophobicContact CD2-CD1 4.16Å; L258-L282 HydrophobicContact CG-CD1 4.41Å; L258-L282 VanDerWaalsContact O-CA 3.29Å; L258-L282 WeakPolarHBondContact O-CA 3.46Å; L258-L282 PolarHBondContact O-N 3.24Å; M261-L282 HydrophobicContact CB-CD1 3.89Å; F276-L282 HydrophobicContact CD1-CD2 3.99Å; F276-L282 HydrophobicContact CE1-CD2 4.01Å; V279-L282 HydrophobicContact CG2-CD2 4.41Å; V279-L282 WeakPolarHBondContact O-CB 3.33Å; V279-L282 PolarHBondContact O-N 3.37Å; L282-L285 HydrophobicContact CD2-CB 3.96Å; L282-L285 HydrophobicContact CD2-CD1 4.25Å; L282-L285 HydrophobicContact CD2-CD2 4.15Å; L282-L285 HydrophobicContact CD2-CG 4.35Å; L282-S305 CarbonylContact O-C 3.08Å; L282-S305 WeakPolarHBondContact O-CB 3.47Å; L282-L306 HydrophobicContact CB-CD2 4.36Å; L282-L306 HydrophobicContact CD2-CD2 4.21Å; L282-L306 HydrophobicContact CG-CD2 3.93Å; L282-L306 WeakPolarHBondContact O-CD2 3.41Å; L282-L306 PolarHBondContact O-N 3.47Å
283	Q	97.6	Very high	95.4	Very high	75 Å²	75	37.4 Å²	37.4	35%	0.35	19%	0.192	S	C	.	.			trans	-103.9	-27.6	-178.4	-64.4	166.7	32	0	0	112.1	E259 H281 T307 S308	E259-Q283 WeakPolarHBondContact O-CA 3.47Å; E259-Q283 WeakPolarHBondContact O-CB 3.3Å; E259-Q283 PolarHBondContact O-N 3.38Å; E259-Q283 PolarHBondContact OE1-NE2 2.94Å; H281-Q283 PolarHBondContact O-N 3.02Å; Q283-T307 PolarHBondContact O-N 3.01Å; Q283-T307 PolarHBondContact O-OG1 3.13Å; Q283-S308 PolarHBondContact O-N 3.39Å; Q283-S308 VanDerWaalsContact O-N 3.1Å
284	S	98.3	Very high	95.5	Very high	27 Å²	27	41.5 Å²	41.5	19%	0.189	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122.4	-178.1	-173.8	0	0	0	0	110.8	E259 K260 M261 S308	E259-S284 PolarHBondContact O-N 2.79Å; K260-S284 WeakPolarHBondContact CA-O 3.35Å; M261-S284 PolarHBondContact N-O 3.46Å; S284-S308 WeakPolarHBondContact CA-O 3.47Å
285	L	98.3	Very high	95.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113	179.8	174.4	55.6	0	0	0	109.7	M261 F276 L282 L287 W303 L306 S308 I309 T310	M261-L285 HydrophobicContact CB-CD1 4.18Å; M261-L285 WeakPolarHBondContact O-CA 3.47Å; F276-L285 HydrophobicContact CD1-CD2 4.49Å; F276-L285 HydrophobicContact CE1-CD1 3.94Å; F276-L285 HydrophobicContact CE1-CD2 3.74Å; F276-L285 HydrophobicContact CZ-CD1 4.11Å; F276-L285 HydrophobicContact CZ-CD2 3.8Å; L282-L285 HydrophobicContact CD2-CB 3.96Å; L282-L285 HydrophobicContact CD2-CD1 4.25Å; L282-L285 HydrophobicContact CD2-CD2 4.15Å; L282-L285 HydrophobicContact CD2-CG 4.35Å; L285-L287 HydrophobicContact CD1-CD1 4.2Å; L285-L287 HydrophobicContact CD1-CD2 4.49Å; L285-L287 HydrophobicContact CD1-CG 3.95Å; L285-L287 HydrophobicContact CD2-CD1 3.8Å; L285-L287 HydrophobicContact CD2-CG 4.42Å; L285-L287 HydrophobicContact CG-CD1 3.91Å; L285-L287 HydrophobicContact CG-CG 3.99Å; L285-W303 HydrophobicContact CD2-CD2 4.32Å; L285-W303 HydrophobicContact CD2-CH2 4.25Å; L285-W303 HydrophobicContact CD2-CZ2 3.52Å; L285-L306 HydrophobicContact CB-CD1 4.25Å; L285-L306 HydrophobicContact CB-CD2 3.75Å; L285-L306 HydrophobicContact CD2-CD1 4.29Å; L285-S308 PolarHBondContact N-O 2.9Å; L285-S308 VanDerWaalsContact N-O 3.12Å; L285-I309 HydrophobicContact CB-CG1 4.43Å; L285-I309 CarbonylContact O-C 3.47Å; L285-I309 VanDerWaalsContact O-CA 3.23Å; L285-I309 WeakPolarHBondContact O-CA 3.29Å; L285-I309 WeakPolarHBondContact O-CG1 3.49Å; L285-T310 PolarHBondContact O-N 3.04Å; L285-T310 VanDerWaalsContact O-N 3.09Å
286	Q	98.3	Very high	95.9	Very high	56 Å²	56	40.2 Å²	40.2	26%	0.262	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.9	174	-66.2	168	97	0	0	110.1	M261 D262 L263 S264 T310	M261-Q286 PolarHBondContact O-N 3.05Å; D262-Q286 HydrophobicContact CB-CB 4.48Å; D262-Q286 PolarHBondContact OD2-NE2 3.25Å; D262-Q286 VanDerWaalsContact OD2-NE2 3.09Å; L263-Q286 CarbonylContact C-O 3.02Å; L263-Q286 WeakPolarHBondContact CA-O 3.29Å; L263-Q286 WeakPolarHBondContact CB-O 3.23Å; L263-Q286 PolarHBondContact N-O 3.01Å; S264-Q286 PolarHBondContact N-O 2.81Å; Q286-T310 WeakPolarHBondContact CA-OG1 3.25Å; Q286-T310 WeakPolarHBondContact CB-OG1 3.34Å; Q286-T310 HydrophobicContact CG-CG2 4.35Å
287	L	97.7	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.			trans	-126.2	7.8	178.5	-76.4	169.4	0	0	0	112.2	L263 I268 M271 L285 N290 L292 W303 T310 L311 N314	L263-L287 HydrophobicContact CB-CD2 3.92Å; L263-L287 HydrophobicContact CD1-CD2 3.95Å; I268-L287 HydrophobicContact CD1-CD2 4.11Å; M271-L287 HydrophobicContact CE-CD1 4.28Å; M271-L287 HydrophobicContact SD-CD1 4.4Å; M271-L287 HydrophobicContact SD-CD2 4.19Å; L285-L287 HydrophobicContact CD1-CD1 4.2Å; L285-L287 HydrophobicContact CD1-CD2 4.49Å; L285-L287 HydrophobicContact CD1-CG 3.95Å; L285-L287 HydrophobicContact CD2-CD1 3.8Å; L285-L287 HydrophobicContact CD2-CG 4.42Å; L285-L287 HydrophobicContact CG-CD1 3.91Å; L285-L287 HydrophobicContact CG-CG 3.99Å; L287-N290 PolarHBondContact O-ND2 3.31Å; L287-L292 HydrophobicContact CD1-CD1 4.49Å; L287-W303 HydrophobicContact CD1-CH2 4.01Å; L287-W303 HydrophobicContact CD1-CZ2 3.97Å; L287-T310 CarbonylContact C-O 2.98Å; L287-T310 WeakPolarHBondContact CA-O 3.35Å; L287-T310 WeakPolarHBondContact CB-O 3.44Å; L287-T310 PolarHBondContact N-O 3.41Å; L287-T310 PolarHBondContact N-OG1 2.9Å; L287-L311 HydrophobicContact CB-CD2 4.1Å; L287-L311 HydrophobicContact CD1-CD2 4.36Å; L287-N314 PolarHBondContact O-ND2 3.01Å
288	D	97.5	Very high	96.1	Very high	22 Å²	22	45 Å²	45	12%	0.118	22%	0.222	C	C	.	.			trans	-59	157.8	175.9	65.7	-89	0	0	0	113	S264 G265 N290 T310 A312	S264-D288 CarbonylContact C-O 3.4Å; S264-D288 WeakPolarHBondContact CA-O 3.36Å; S264-D288 VanDerWaalsContact CB-OD1 3.22Å; S264-D288 WeakPolarHBondContact CB-OD1 3.1Å; S264-D288 WeakPolarHBondContact CB-OD2 3.35Å; G265-D288 PolarHBondContact N-O 2.86Å; D288-N290 PolarHBondContact O-ND2 2.92Å; D288-N290 VanDerWaalsContact O-ND2 3.12Å; D288-T310 PolarHBondContact N-O 2.94Å; D288-T310 PolarHBondContact N-OG1 2.92Å; D288-T310 WeakPolarHBondContact OD1-CB 3.14Å; D288-T310 PolarHBondContact OD1-OG1 2.81Å; D288-A312 CarbonylContact C-O 3.09Å; D288-A312 WeakPolarHBondContact CA-O 3.32Å; D288-A312 WeakPolarHBondContact CB-O 3.32Å
289	S	97.3	Very high	96.4	Very high	60 Å²	60	44.3 Å²	44.3	42%	0.42	22%	0.218	S	C	.	.	S	Bend	trans	56.3	59.7	176.9	-45.1	0	0	0	0	112.1	G265 N266 A312 G313	G265-S289 CarbonylContact C-O 3.07Å; G265-S289 WeakPolarHBondContact CA-O 3.29Å; G265-S289 PolarHBondContact N-O 3.37Å; G265-S289 VanDerWaalsContact N-O 3.13Å; N266-S289 PolarHBondContact N-O 2.65Å; S289-A312 PolarHBondContact N-O 3.07Å; S289-G313 VanDerWaalsContact CA-O 3.29Å; S289-G313 WeakPolarHBondContact CA-O 3.5Å
290	N	98.3	Very high	96.5	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-136.9	-169.7	-176.8	-92	-74.7	0	0	0	110.6	L263 N266 E267 I268 L287 D288 G313 N314	L263-N290 PolarHBondContact O-ND2 3.09Å; N266-N290 WeakPolarHBondContact CA-OD1 3.47Å; N266-N290 WeakPolarHBondContact CB-OD1 3.49Å; N266-N290 PolarHBondContact O-OD1 3.04Å; E267-N290 PolarHBondContact N-OD1 2.86Å; I268-N290 HydrophobicContact CB-CB 4.47Å; I268-N290 WeakPolarHBondContact CB-OD1 3.47Å; I268-N290 VanDerWaalsContact CG1-OD1 3.23Å; I268-N290 WeakPolarHBondContact CG1-OD1 3.31Å; I268-N290 PolarHBondContact N-OD1 3.01Å; L287-N290 PolarHBondContact O-ND2 3.31Å; D288-N290 PolarHBondContact O-ND2 2.92Å; D288-N290 VanDerWaalsContact O-ND2 3.12Å; N290-G313 PolarHBondContact N-O 3.48Å; N290-N314 WeakPolarHBondContact CA-OD1 3.39Å; N290-N314 WeakPolarHBondContact CB-OD1 3.05Å; N290-N314 PolarHBondContact O-OD1 3.48Å
291	R	97.8	Very high	96.6	Very high	101 Å²	101	47.8 Å²	47.8	38%	0.381	23%	0.234	S	C	.	.			trans	-112.4	19.4	-178.4	-62.4	-177.3	-176.9	-78	2.6	113.5	E267 I268 E269 T293 N314 L315	E267-R291 WeakPolarHBondContact O-CD 3.28Å; E267-R291 IonicContact OE2-CZ 2.7Å; E267-R291 IonicContact OE2-NE 2.98Å; E267-R291 PolarHBondContact OE2-NE 3.43Å; E267-R291 VanDerWaalsContact OE2-NE 3.16Å; E267-R291 IonicContact OE2-NH2 3.3Å; E267-R291 PolarHBondContact OE2-NH2 3.2Å; I268-R291 CarbonylContact O-C 3.08Å; I268-R291 VanDerWaalsContact O-CA 3.31Å; I268-R291 WeakPolarHBondContact O-CA 3.36Å; I268-R291 WeakPolarHBondContact O-CB 3.37Å; I268-R291 PolarHBondContact O-N 3.27Å; I268-R291 VanDerWaalsContact O-N 3.1Å; E269-R291 HydrophobicContact CG-CB 3.58Å; E269-R291 HydrophobicContact CG-CG 4.35Å; E269-R291 VanDerWaalsContact OE1-CD 3.28Å; E269-R291 WeakPolarHBondContact OE1-CD 3.35Å; R291-T293 PolarHBondContact O-N 2.89Å; R291-N314 PolarHBondContact N-OD1 3.28Å; R291-L315 HydrophobicContact CB-CD1 4.29Å; R291-L315 HydrophobicContact CG-CD1 4.44Å
292	L	97.2	Very high	96.6	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.217	C	C	.	.			trans	-67.4	133.4	-178	-61.1	172.7	0	0	0	110.3	I268 M271 L287 N314 L315 W316	I268-L292 HydrophobicContact CB-CD2 4.44Å; I268-L292 HydrophobicContact CG2-CD2 3.82Å; I268-L292 PolarHBondContact O-N 2.89Å; I268-L292 VanDerWaalsContact O-N 3.07Å; M271-L292 HydrophobicContact CE-CD1 3.87Å; M271-L292 HydrophobicContact CE-CD2 3.92Å; M271-L292 HydrophobicContact CG-CD2 4.47Å; L287-L292 HydrophobicContact CD1-CD1 4.49Å; L292-N314 HydrophobicContact CB-CB 4.31Å; L292-N314 VanDerWaalsContact CB-OD1 3.29Å; L292-N314 WeakPolarHBondContact CB-OD1 3.45Å; L292-N314 WeakPolarHBondContact CG-OD1 3.22Å; L292-N314 PolarHBondContact N-OD1 3.12Å; L292-L315 CarbonylContact O-C 3.28Å; L292-L315 VanDerWaalsContact O-C 3.28Å; L292-L315 WeakPolarHBondContact O-CA 3.5Å; L292-L315 PolarHBondContact O-N 2.95Å; L292-W316 HydrophobicContact CB-CH2 3.78Å; L292-W316 HydrophobicContact CB-CZ3 3.88Å; L292-W316 HydrophobicContact CD1-CH2 4.09Å
293	T	96.3	Very high	96.5	Very high	56 Å²	56	44.1 Å²	44.1	34%	0.344	22%	0.218	S	C	.	.	S	Bend	trans	-101.5	-31.7	174.5	55.1	0	0	0	0	112.3	R291 L315 D317	R291-T293 PolarHBondContact O-N 2.89Å; T293-L315 WeakPolarHBondContact CA-O 3.33Å; T293-L315 HydrophobicContact CG2-CB 4.34Å; T293-L315 WeakPolarHBondContact CG2-O 3.38Å; T293-D317 PolarHBondContact O-N 3.06Å
294	Y	95.4	Very high	96.3	Very high	105 Å²	105	49.2 Å²	49.2	41%	0.412	24%	0.238	S	C	.	.			trans	-150.7	172.2	170.8	69.6	-81	0	0	0	109.9	N321	Y294-N321 HydrophobicContact CG-CB 4.21Å
295	I	96.4	Very high	96.1	Very high	3 Å²	3	50 Å²	50	2%	0.015	24%	0.244	C	C	.	.			trans	-122	129.9	170.1	-63.6	159.3	0	0	0	108.1	M271 I299 L300 W303 L311 W316 L325	M271-I295 HydrophobicContact CE-CG1 4.49Å; I295-I299 HydrophobicContact CG2-CB 3.81Å; I295-I299 HydrophobicContact CG2-CG2 3.61Å; I295-L300 HydrophobicContact CB-CD2 4.13Å; I295-L300 HydrophobicContact CB-CG 4.43Å; I295-L300 HydrophobicContact CG2-CD2 3.62Å; I295-L300 HydrophobicContact CG2-CG 3.82Å; I295-W303 HydrophobicContact CD1-CH2 3.71Å; I295-W303 HydrophobicContact CD1-CZ3 4.07Å; I295-W303 HydrophobicContact CG1-CH2 4.47Å; I295-W303 HydrophobicContact CG2-CH2 4.07Å; I295-W303 HydrophobicContact CG2-CZ3 4.47Å; I295-L311 HydrophobicContact CD1-CD1 4.48Å; I295-L311 HydrophobicContact CD1-CD2 3.89Å; I295-W316 HydrophobicContact CD1-CH2 3.61Å; I295-W316 HydrophobicContact CD1-CZ3 4.08Å; I295-W316 HydrophobicContact CG1-CH2 3.89Å; I295-W316 HydrophobicContact CG1-CZ3 3.96Å; I295-L325 HydrophobicContact CD1-CD1 3.86Å; I295-L325 HydrophobicContact CD1-CD2 4.16Å
296	E	95.1	Very high	96.1	Very high	55 Å²	55	50.7 Å²	50.7	26%	0.257	25%	0.248	S	C	.	.			trans	-65.6	139.2	-179.2	-168.4	-175.2	145	0	0	111.5	P273 R298 I299 L300	P273-E296 WeakPolarHBondContact CB-OE2 3.36Å; P273-E296 WeakPolarHBondContact CG-OE2 3.31Å; E296-R298 HydrophobicContact CG-CB 4.45Å; E296-R298 PolarHBondContact O-N 2.92Å; E296-R298 WeakPolarHBondContact OE1-CD 3.5Å; E296-R298 VanDerWaalsContact OE1-CG 3.29Å; E296-R298 WeakPolarHBondContact OE1-CG 3.08Å; E296-R298 IonicContact OE1-NE 3.65Å; E296-I299 HydrophobicContact CB-CD1 4.36Å; E296-I299 HydrophobicContact CB-CG1 4.5Å; E296-I299 WeakPolarHBondContact O-CB 3.28Å; E296-I299 PolarHBondContact O-N 3.34Å; E296-L300 PolarHBondContact O-N 2.97Å
297	P	95.1	Very high	96.1	Very high	68 Å²	68	51.9 Å²	51.9	44%	0.442	26%	0.259	S	S	.	.	H	α-helix	trans	-51	-31.9	176.7	-29	33.5	0	0	0	115.2	I299 L300 N301 A324	P297-I299 VanDerWaalsContact C-N 3.35Å; P297-I299 PolarHBondContact O-N 3.18Å; P297-L300 PolarHBondContact O-N 2.98Å; P297-N301 WeakPolarHBondContact O-CB 3.45Å; P297-N301 PolarHBondContact O-N 3.02Å; P297-N301 PolarHBondContact O-ND2 2.79Å; P297-N301 VanDerWaalsContact O-ND2 3.11Å; P297-A324 HydrophobicContact CB-CB 4.48Å; P297-A324 HydrophobicContact CG-CB 3.79Å
298	R	95.3	Very high	96.1	Very high	137 Å²	137	53.8 Å²	53.8	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-41.1	174.9	-68.5	-172.2	-177.8	-116.6	-0.8	112.5	P273 H274 E296 N301 S302	P273-R298 HydrophobicContact CB-CB 3.94Å; P273-R298 HydrophobicContact CB-CG 4.4Å; H274-R298 PolarHBondContact NE2-NH1 2.88Å; E296-R298 HydrophobicContact CG-CB 4.45Å; E296-R298 PolarHBondContact O-N 2.92Å; E296-R298 WeakPolarHBondContact OE1-CD 3.5Å; E296-R298 VanDerWaalsContact OE1-CG 3.29Å; E296-R298 WeakPolarHBondContact OE1-CG 3.08Å; E296-R298 IonicContact OE1-NE 3.65Å; R298-N301 PolarHBondContact O-N 3.05Å; R298-S302 PolarHBondContact O-N 3.3Å
299	I	96.2	Very high	96.1	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-48.1	177.7	-67.1	173.1	0	0	0	109.7	M271 F276 I295 E296 P297 N301 S302 W303	M271-I299 HydrophobicContact CB-CD1 3.78Å; M271-I299 HydrophobicContact CE-CD1 4.35Å; F276-I299 HydrophobicContact CD2-CG2 3.72Å; F276-I299 HydrophobicContact CE2-CG2 4.02Å; I295-I299 HydrophobicContact CG2-CB 3.81Å; I295-I299 HydrophobicContact CG2-CG2 3.61Å; E296-I299 HydrophobicContact CB-CD1 4.36Å; E296-I299 HydrophobicContact CB-CG1 4.5Å; E296-I299 WeakPolarHBondContact O-CB 3.28Å; E296-I299 PolarHBondContact O-N 3.34Å; P297-I299 VanDerWaalsContact C-N 3.35Å; P297-I299 PolarHBondContact O-N 3.18Å; I299-N301 VanDerWaalsContact C-N 3.3Å; I299-N301 PolarHBondContact O-N 3.05Å; I299-S302 WeakPolarHBondContact O-CB 3.42Å; I299-S302 PolarHBondContact O-N 3.08Å; I299-S302 PolarHBondContact O-OG 2.8Å; I299-W303 HydrophobicContact CG2-CD2 4.32Å; I299-W303 HydrophobicContact CG2-CH2 4.12Å; I299-W303 HydrophobicContact CG2-CZ2 3.39Å; I299-W303 PolarHBondContact O-N 2.98Å
300	L	96	Very high	96.1	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-42	177	-60.3	175.2	0	0	0	112.1	I295 E296 P297 S302 W303 A324 L325 W328	I295-L300 HydrophobicContact CB-CD2 4.13Å; I295-L300 HydrophobicContact CB-CG 4.43Å; I295-L300 HydrophobicContact CG2-CD2 3.62Å; I295-L300 HydrophobicContact CG2-CG 3.82Å; E296-L300 PolarHBondContact O-N 2.97Å; P297-L300 PolarHBondContact O-N 2.98Å; L300-S302 PolarHBondContact O-N 2.96Å; L300-W303 HydrophobicContact CD2-CE3 3.83Å; L300-W303 HydrophobicContact CD2-CH2 4.42Å; L300-W303 HydrophobicContact CD2-CZ3 3.61Å; L300-W303 PolarHBondContact O-N 2.7Å; L300-A324 VanDerWaalsContact CD1-C 3.43Å; L300-A324 HydrophobicContact CD1-CB 3.84Å; L300-A324 WeakPolarHBondContact CD1-O 3.23Å; L300-L325 HydrophobicContact CD2-CD1 4.08Å; L300-W328 HydrophobicContact CB-CG 4.17Å; L300-W328 HydrophobicContact CD1-CB 4.13Å; L300-W328 HydrophobicContact CD2-CB 4.3Å; L300-W328 HydrophobicContact CD2-CD2 4.15Å; L300-W328 HydrophobicContact CD2-CG 4.02Å; L300-W328 HydrophobicContact CG-CG 4.47Å; L300-W328 PolarHBondContact O-NE1 3.24Å
301	N	94.3	Very high	96	Very high	114 Å²	114	50.9 Å²	50.9	61%	0.61	25%	0.253	S	S	*	.	H	α-helix	trans	-67.2	-17	176.7	-73.6	-28.1	0	0	0	114.1	P297 R298 I299 K304	P297-N301 WeakPolarHBondContact O-CB 3.45Å; P297-N301 PolarHBondContact O-N 3.02Å; P297-N301 PolarHBondContact O-ND2 2.79Å; P297-N301 VanDerWaalsContact O-ND2 3.11Å; R298-N301 PolarHBondContact O-N 3.05Å; I299-N301 VanDerWaalsContact C-N 3.3Å; I299-N301 PolarHBondContact O-N 3.05Å; N301-K304 WeakPolarHBondContact O-CE 3.41Å
302	S	94.5	Very high	96	Very high	12 Å²	12	47 Å²	47	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-84.5	-23.6	176.2	79.1	0	0	0	0	113.3	F276 R298 I299 L300 K304	F276-S302 WeakPolarHBondContact CB-OG 3.26Å; R298-S302 PolarHBondContact O-N 3.3Å; I299-S302 WeakPolarHBondContact O-CB 3.42Å; I299-S302 PolarHBondContact O-N 3.08Å; I299-S302 PolarHBondContact O-OG 2.8Å; L300-S302 PolarHBondContact O-N 2.96Å; S302-K304 PolarHBondContact O-N 3.38Å
303	W	94.8	Very high	95.9	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.045	27%	0.27	C	S	.	.			trans	-77.6	40.6	-170.7	-69.6	-9.2	0	0	0	114.7	F276 L285 L287 I295 I299 L300 S305 L306 I309 W328	F276-W303 AromaticContact CD1-NE1 3.69Å; F276-W303 HydrophobicContact CD2-CZ2 4.41Å; F276-W303 AromaticContact CD2-NE1 3.34Å; F276-W303 VanDerWaalsContact CD2-NE1 3.34Å; F276-W303 HydrophobicContact CE2-CZ2 4.03Å; F276-W303 AromaticContact CE2-NE1 3.7Å; F276-W303 AromaticContact CG-CD1 3.96Å; F276-W303 AromaticContact CG-NE1 3.35Å; F276-W303 VanDerWaalsContact CG-NE1 3.35Å; F276-W303 HydrophobicContact CZ-CZ2 4.38Å; L285-W303 HydrophobicContact CD2-CD2 4.32Å; L285-W303 HydrophobicContact CD2-CH2 4.25Å; L285-W303 HydrophobicContact CD2-CZ2 3.52Å; L287-W303 HydrophobicContact CD1-CH2 4.01Å; L287-W303 HydrophobicContact CD1-CZ2 3.97Å; I295-W303 HydrophobicContact CD1-CH2 3.71Å; I295-W303 HydrophobicContact CD1-CZ3 4.07Å; I295-W303 HydrophobicContact CG1-CH2 4.47Å; I295-W303 HydrophobicContact CG2-CH2 4.07Å; I295-W303 HydrophobicContact CG2-CZ3 4.47Å; I299-W303 HydrophobicContact CG2-CD2 4.32Å; I299-W303 HydrophobicContact CG2-CH2 4.12Å; I299-W303 HydrophobicContact CG2-CZ2 3.39Å; I299-W303 PolarHBondContact O-N 2.98Å; L300-W303 HydrophobicContact CD2-CE3 3.83Å; L300-W303 HydrophobicContact CD2-CH2 4.42Å; L300-W303 HydrophobicContact CD2-CZ3 3.61Å; L300-W303 PolarHBondContact O-N 2.7Å; W303-S305 VanDerWaalsContact C-N 3.27Å; W303-S305 PolarHBondContact O-N 3.49Å; W303-L306 HydrophobicContact CB-CD1 3.71Å; W303-L306 HydrophobicContact CB-CG 4.07Å; W303-L306 HydrophobicContact CD2-CD1 3.85Å; W303-L306 HydrophobicContact CE3-CD1 4.06Å; W303-L306 HydrophobicContact CG-CD1 3.74Å; W303-L306 HydrophobicContact CG-CG 4.42Å; W303-L306 PolarHBondContact O-N 3.02Å; W303-I309 HydrophobicContact CE3-CD1 3.79Å; W303-I309 HydrophobicContact CH2-CD1 3.77Å; W303-I309 HydrophobicContact CZ3-CD1 3.33Å; W303-W328 HydrophobicContact CB-CZ2 4.02Å; W303-W328 AromaticContact CE3-CH2 3.96Å; W303-W328 HydrophobicContact CE3-CH2 3.96Å; W303-W328 AromaticContact CE3-CZ2 3.77Å; W303-W328 HydrophobicContact CE3-CZ2 3.77Å; W303-W328 HydrophobicContact CE3-CZ3 4.45Å
304	K	91.6	Very high	95.9	Very high	181 Å²	181	47.4 Å²	47.4	79%	0.787	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.5	-168.2	-58.7	175.4	-171.8	176.9	0	115.3	N301 S302	N301-K304 WeakPolarHBondContact O-CE 3.41Å; S302-K304 PolarHBondContact O-N 3.38Å
305	S	95.8	Very high	96	Very high	43 Å²	43	46.2 Å²	46.2	30%	0.301	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	1.8	-175	-58.1	0	0	0	0	113.8	P280 L282 W303 T307	P280-S305 WeakPolarHBondContact O-CB 3.48Å; P280-S305 PolarHBondContact O-OG 3Å; L282-S305 CarbonylContact O-C 3.08Å; L282-S305 WeakPolarHBondContact O-CB 3.47Å; W303-S305 VanDerWaalsContact C-N 3.27Å; W303-S305 PolarHBondContact O-N 3.49Å; S305-T307 PolarHBondContact O-N 3.2Å
306	L	97.4	Very high	96	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.079	26%	0.256	C	S	.	.			trans	-66	136.9	-175.4	-74.3	-174.9	0	0	0	111.8	L282 L285 W303 I309 W328 F332	L282-L306 HydrophobicContact CB-CD2 4.36Å; L282-L306 HydrophobicContact CD2-CD2 4.21Å; L282-L306 HydrophobicContact CG-CD2 3.93Å; L282-L306 WeakPolarHBondContact O-CD2 3.41Å; L282-L306 PolarHBondContact O-N 3.47Å; L285-L306 HydrophobicContact CB-CD1 4.25Å; L285-L306 HydrophobicContact CB-CD2 3.75Å; L285-L306 HydrophobicContact CD2-CD1 4.29Å; W303-L306 HydrophobicContact CB-CD1 3.71Å; W303-L306 HydrophobicContact CB-CG 4.07Å; W303-L306 HydrophobicContact CD2-CD1 3.85Å; W303-L306 HydrophobicContact CE3-CD1 4.06Å; W303-L306 HydrophobicContact CG-CD1 3.74Å; W303-L306 HydrophobicContact CG-CG 4.42Å; W303-L306 PolarHBondContact O-N 3.02Å; L306-I309 HydrophobicContact CD1-CB 4.37Å; L306-I309 HydrophobicContact CD1-CD1 3.96Å; L306-I309 HydrophobicContact CD1-CG1 4.36Å; L306-W328 HydrophobicContact CD1-CH2 4.22Å; L306-W328 HydrophobicContact CD1-CZ2 4.33Å; L306-F332 HydrophobicContact CB-CE2 3.86Å; L306-F332 HydrophobicContact CB-CZ 3.99Å; L306-F332 WeakPolarHBondContact O-CE2 3.41Å
307	T	97.4	Very high	96.1	Very high	82 Å²	82	45.6 Å²	45.6	50%	0.503	26%	0.255	S	S	.	.	S	Bend	trans	-119.5	-19.9	174	65.1	0	0	0	0	112.1	Q283 S305 G334 R335	Q283-T307 PolarHBondContact O-N 3.01Å; Q283-T307 PolarHBondContact O-OG1 3.13Å; S305-T307 PolarHBondContact O-N 3.2Å; T307-G334 CarbonylContact O-C 3.37Å; T307-G334 WeakPolarHBondContact O-CA 3.4Å; T307-R335 PolarHBondContact O-N 3.22Å
308	S	97.8	Very high	96.1	Very high	40 Å²	40	42.4 Å²	42.4	28%	0.28	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.7	173.4	-159.7	0	0	0	0	110	Q283 S284 L285 R335	Q283-S308 PolarHBondContact O-N 3.39Å; Q283-S308 VanDerWaalsContact O-N 3.1Å; S284-S308 WeakPolarHBondContact CA-O 3.47Å; L285-S308 PolarHBondContact N-O 2.9Å; L285-S308 VanDerWaalsContact N-O 3.12Å; S308-R335 CarbonylContact C-O 3.56Å; S308-R335 VanDerWaalsContact CA-O 3.25Å; S308-R335 WeakPolarHBondContact CA-O 3.26Å
309	I	97.6	Very high	95.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.3	171.1	-163.3	171.9	0	0	0	109.6	L285 W303 L306 L311 W328 F332 R335 Y336	L285-I309 HydrophobicContact CB-CG1 4.43Å; L285-I309 CarbonylContact O-C 3.47Å; L285-I309 VanDerWaalsContact O-CA 3.23Å; L285-I309 WeakPolarHBondContact O-CA 3.29Å; L285-I309 WeakPolarHBondContact O-CG1 3.49Å; W303-I309 HydrophobicContact CE3-CD1 3.79Å; W303-I309 HydrophobicContact CH2-CD1 3.77Å; W303-I309 HydrophobicContact CZ3-CD1 3.33Å; L306-I309 HydrophobicContact CD1-CB 4.37Å; L306-I309 HydrophobicContact CD1-CD1 3.96Å; L306-I309 HydrophobicContact CD1-CG1 4.36Å; I309-L311 HydrophobicContact CD1-CD1 4.05Å; I309-L311 HydrophobicContact CD1-CD2 4.08Å; I309-L311 HydrophobicContact CD1-CG 4.04Å; I309-L311 HydrophobicContact CG1-CD2 4.38Å; I309-L311 HydrophobicContact CG1-CG 4.12Å; I309-W328 HydrophobicContact CD1-CH2 4.08Å; I309-W328 HydrophobicContact CD1-CZ3 4.25Å; I309-W328 HydrophobicContact CG2-CH2 4.34Å; I309-W328 HydrophobicContact CG2-CZ3 4.26Å; I309-F332 HydrophobicContact CG2-CD1 4.46Å; I309-F332 HydrophobicContact CG2-CE1 3.84Å; I309-F332 HydrophobicContact CG2-CZ 4.38Å; I309-R335 PolarHBondContact N-O 2.85Å; I309-Y336 WeakPolarHBondContact O-CA 3.22Å
310	T	97.6	Very high	95.6	Very high	27 Å²	27	44.5 Å²	44.5	17%	0.166	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.6	163.8	62	0	0	0	0	110.2	L285 Q286 L287 D288 D337	L285-T310 PolarHBondContact O-N 3.04Å; L285-T310 VanDerWaalsContact O-N 3.09Å; Q286-T310 WeakPolarHBondContact CA-OG1 3.25Å; Q286-T310 WeakPolarHBondContact CB-OG1 3.34Å; Q286-T310 HydrophobicContact CG-CG2 4.35Å; L287-T310 CarbonylContact C-O 2.98Å; L287-T310 WeakPolarHBondContact CA-O 3.35Å; L287-T310 WeakPolarHBondContact CB-O 3.44Å; L287-T310 PolarHBondContact N-O 3.41Å; L287-T310 PolarHBondContact N-OG1 2.9Å; D288-T310 PolarHBondContact N-O 2.94Å; D288-T310 PolarHBondContact N-OG1 2.92Å; D288-T310 WeakPolarHBondContact OD1-CB 3.14Å; D288-T310 PolarHBondContact OD1-OG1 2.81Å; T310-D337 WeakPolarHBondContact CA-OD1 3.49Å; T310-D337 WeakPolarHBondContact CA-OD2 3.36Å; T310-D337 WeakPolarHBondContact CB-OD2 3.45Å
311	L	97.2	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.			trans	-142.3	-9.4	-169.8	-71.4	178	0	0	0	113.7	L287 I295 I309 N314 W316 L325 L329 D337 L340	L287-L311 HydrophobicContact CB-CD2 4.1Å; L287-L311 HydrophobicContact CD1-CD2 4.36Å; I295-L311 HydrophobicContact CD1-CD1 4.48Å; I295-L311 HydrophobicContact CD1-CD2 3.89Å; I309-L311 HydrophobicContact CD1-CD1 4.05Å; I309-L311 HydrophobicContact CD1-CD2 4.08Å; I309-L311 HydrophobicContact CD1-CG 4.04Å; I309-L311 HydrophobicContact CG1-CD2 4.38Å; I309-L311 HydrophobicContact CG1-CG 4.12Å; L311-N314 PolarHBondContact O-ND2 3.16Å; L311-W316 HydrophobicContact CB-CZ2 3.95Å; L311-W316 HydrophobicContact CD2-CH2 4.17Å; L311-W316 HydrophobicContact CD2-CZ2 3.96Å; L311-W316 HydrophobicContact CG-CZ2 4.4Å; L311-W316 PolarHBondContact O-NE1 3Å; L311-L325 HydrophobicContact CD1-CD1 3.98Å; L311-L329 HydrophobicContact CD1-CD2 4.29Å; L311-D337 VanDerWaalsContact N-CG 3.29Å; L311-D337 PolarHBondContact N-OD1 3.24Å; L311-D337 PolarHBondContact N-OD2 2.03Å; L311-L340 HydrophobicContact CB-CD2 3.63Å; L311-L340 HydrophobicContact CB-CG 4.26Å; L311-L340 HydrophobicContact CD1-CD2 3.89Å; L311-L340 HydrophobicContact CG-CD2 4.43Å
312	A	96.6	Very high	95.3	Very high	21 Å²	21	43 Å²	43	17%	0.174	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	156.2	-179.6	0	0	0	0	0	112.5	D288 S289 N314 D337	D288-A312 CarbonylContact C-O 3.09Å; D288-A312 WeakPolarHBondContact CA-O 3.32Å; D288-A312 WeakPolarHBondContact CB-O 3.32Å; S289-A312 PolarHBondContact N-O 3.07Å; A312-N314 VanDerWaalsContact C-N 3.29Å; A312-N314 PolarHBondContact O-N 3.03Å; A312-D337 HydrophobicContact CB-CB 4.26Å; A312-D337 VanDerWaalsContact CB-OD2 3.23Å; A312-D337 WeakPolarHBondContact CB-OD2 3.48Å; A312-D337 PolarHBondContact N-OD2 3.16Å
313	G	95.5	Very high	95.3	Very high	56 Å²	56	43.7 Å²	43.7	58%	0.577	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	27.7	-177.9	0	0	0	0	0	114.1	S289 N290	S289-G313 VanDerWaalsContact CA-O 3.29Å; S289-G313 WeakPolarHBondContact CA-O 3.5Å; N290-G313 PolarHBondContact N-O 3.48Å
314	N	97.1	Very high	95.3	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.053	25%	0.254	C	S	.	.	S	Bend	trans	-96.9	178.5	163.4	-83.5	-78.5	0	0	0	110.1	L287 N290 R291 L292 L311 A312 W316	L287-N314 PolarHBondContact O-ND2 3.01Å; N290-N314 WeakPolarHBondContact CA-OD1 3.39Å; N290-N314 WeakPolarHBondContact CB-OD1 3.05Å; N290-N314 PolarHBondContact O-OD1 3.48Å; R291-N314 PolarHBondContact N-OD1 3.28Å; L292-N314 HydrophobicContact CB-CB 4.31Å; L292-N314 VanDerWaalsContact CB-OD1 3.29Å; L292-N314 WeakPolarHBondContact CB-OD1 3.45Å; L292-N314 WeakPolarHBondContact CG-OD1 3.22Å; L292-N314 PolarHBondContact N-OD1 3.12Å; L311-N314 PolarHBondContact O-ND2 3.16Å; A312-N314 VanDerWaalsContact C-N 3.29Å; A312-N314 PolarHBondContact O-N 3.03Å; N314-W316 HydrophobicContact CB-CD2 4.12Å; N314-W316 VanDerWaalsContact CB-CE2 3.49Å; N314-W316 HydrophobicContact CB-CH2 4.25Å; N314-W316 HydrophobicContact CB-CZ2 3.56Å
315	L	96.6	Very high	95.5	Very high	80 Å²	80	36.1 Å²	36.1	42%	0.419	22%	0.217	S	C	.	.			trans	-105.2	51	-175	-64.4	173.8	0	0	0	111.2	R291 L292 T293 D317 A343	R291-L315 HydrophobicContact CB-CD1 4.29Å; R291-L315 HydrophobicContact CG-CD1 4.44Å; L292-L315 CarbonylContact O-C 3.28Å; L292-L315 VanDerWaalsContact O-C 3.28Å; L292-L315 WeakPolarHBondContact O-CA 3.5Å; L292-L315 PolarHBondContact O-N 2.95Å; T293-L315 WeakPolarHBondContact CA-O 3.33Å; T293-L315 HydrophobicContact CG2-CB 4.34Å; T293-L315 WeakPolarHBondContact CG2-O 3.38Å; L315-D317 PolarHBondContact O-N 2.87Å; L315-A343 HydrophobicContact CB-CB 4.2Å; L315-A343 HydrophobicContact CD2-CB 4.14Å
316	W	96.7	Very high	95.5	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	125	-169.3	-61.9	119.8	0	0	0	113.2	L292 I295 L311 N314 L325 A343 S344 V353	L292-W316 HydrophobicContact CB-CH2 3.78Å; L292-W316 HydrophobicContact CB-CZ3 3.88Å; L292-W316 HydrophobicContact CD1-CH2 4.09Å; I295-W316 HydrophobicContact CD1-CH2 3.61Å; I295-W316 HydrophobicContact CD1-CZ3 4.08Å; I295-W316 HydrophobicContact CG1-CH2 3.89Å; I295-W316 HydrophobicContact CG1-CZ3 3.96Å; L311-W316 HydrophobicContact CB-CZ2 3.95Å; L311-W316 HydrophobicContact CD2-CH2 4.17Å; L311-W316 HydrophobicContact CD2-CZ2 3.96Å; L311-W316 HydrophobicContact CG-CZ2 4.4Å; L311-W316 PolarHBondContact O-NE1 3Å; N314-W316 HydrophobicContact CB-CD2 4.12Å; N314-W316 VanDerWaalsContact CB-CE2 3.49Å; N314-W316 HydrophobicContact CB-CH2 4.25Å; N314-W316 HydrophobicContact CB-CZ2 3.56Å; W316-L325 HydrophobicContact CD2-CD2 4.21Å; W316-L325 HydrophobicContact CE3-CD2 3.85Å; W316-L325 HydrophobicContact CH2-CD2 4Å; W316-L325 HydrophobicContact CZ2-CD2 4.29Å; W316-L325 HydrophobicContact CZ3-CD2 3.75Å; W316-A343 PolarHBondContact O-N 2.96Å; W316-S344 PolarHBondContact O-N 2.89Å; W316-V353 HydrophobicContact CB-CG2 3.85Å; W316-V353 HydrophobicContact CG-CG2 4Å
317	D	96.3	Very high	95.4	Very high	45 Å²	45	37 Å²	37	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	95.9	176.2	-178.7	47.5	0	0	0	109.9	T293 L315 G319 S344	T293-D317 PolarHBondContact O-N 3.06Å; L315-D317 PolarHBondContact O-N 2.87Å; D317-G319 PolarHBondContact O-N 2.74Å; D317-S344 WeakPolarHBondContact CA-OG 3.09Å; D317-S344 WeakPolarHBondContact CB-OG 3.39Å; D317-S344 PolarHBondContact OD1-OG 2.9Å
318	C	95.6	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.			trans	-77.7	49	-179.5	-63.5	0	0	0	0	112.2	C342 S344 A348 L362	C318-C342 HydrophobicContact CB-CB 3.81Å; C318-C342 WeakPolarHBondContact CB-SG 3.47Å; C318-C342 WeakPolarHBondContact SG-CB 3Å; C318-C342 CovalentContact SG-SG 2.03Å; C318-C342 PolarHBondContact SG-SG 2.96Å; C318-S344 PolarHBondContact N-O 2.9Å; C318-A348 HydrophobicContact CB-CB 4.26Å; C318-L362 HydrophobicContact CB-CD1 4.23Å; C318-L362 WeakPolarHBondContact O-CD1 3.37Å
319	G	91.8	Very high	95.2	Very high	17 Å²	17	33.4 Å²	33.4	18%	0.175	20%	0.196	C	C	.	.	S	Bend	trans	-96.2	-164.3	155.9	0	0	0	0	0	111.2	D317 N321 V322	D317-G319 PolarHBondContact O-N 2.74Å; G319-N321 PolarHBondContact O-N 3.43Å; G319-V322 WeakPolarHBondContact O-CG1 3.34Å; G319-V322 PolarHBondContact O-N 2.72Å; G319-V322 VanDerWaalsContact O-N 3.11Å
320	R	89.9	Confident	95	Very high	168 Å²	168	36.3 Å²	36.3	63%	0.634	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-57	-21.1	-179	-70	-174.5	178.7	-84.5	-0.7	114.6	V322 C323	R320-V322 VanDerWaalsContact C-N 3.31Å; R320-V322 PolarHBondContact O-N 3.16Å; R320-C323 WeakPolarHBondContact O-CB 3.46Å; R320-C323 PolarHBondContact O-N 3.26Å; R320-C323 PolarHBondContact O-SG 3.22Å; R320-C323 VanDerWaalsContact O-SG 3.34Å
321	N	89.8	Confident	94.9	Very high	92 Å²	92	40.3 Å²	40.3	49%	0.492	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-69.3	-26.1	179.5	-66.7	-29.1	0	0	0	113.1	Y294 G319 C323	Y294-N321 HydrophobicContact CG-CB 4.21Å; G319-N321 PolarHBondContact O-N 3.43Å; N321-C323 VanDerWaalsContact C-N 3.26Å; N321-C323 PolarHBondContact O-N 2.8Å
322	V	94.4	Very high	94.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-73.5	-18.9	-179.8	89.3	0	0	0	0	112.9	G319 R320 A324 L325 A326 V353 V357 L362	G319-V322 WeakPolarHBondContact O-CG1 3.34Å; G319-V322 PolarHBondContact O-N 2.72Å; G319-V322 VanDerWaalsContact O-N 3.11Å; R320-V322 VanDerWaalsContact C-N 3.31Å; R320-V322 PolarHBondContact O-N 3.16Å; V322-A324 VanDerWaalsContact C-N 3.28Å; V322-A324 PolarHBondContact O-N 3.48Å; V322-L325 WeakPolarHBondContact O-CA 3.38Å; V322-L325 WeakPolarHBondContact O-CB 3.39Å; V322-L325 PolarHBondContact O-N 3.38Å; V322-A326 PolarHBondContact O-N 3.24Å; V322-V353 HydrophobicContact CG2-CG1 3.59Å; V322-V353 HydrophobicContact CG2-CG2 4.14Å; V322-V357 HydrophobicContact CG1-CG2 3.57Å; V322-L362 HydrophobicContact CG1-CD1 4.45Å
323	C	94.4	Very high	94.7	Very high	26 Å²	26	49.2 Å²	49.2	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-36	-172.6	-65.3	0	0	0	0	114.3	R320 N321 S327 C363	R320-C323 WeakPolarHBondContact O-CB 3.46Å; R320-C323 PolarHBondContact O-N 3.26Å; R320-C323 PolarHBondContact O-SG 3.22Å; R320-C323 VanDerWaalsContact O-SG 3.34Å; N321-C323 VanDerWaalsContact C-N 3.26Å; N321-C323 PolarHBondContact O-N 2.8Å; C323-S327 VanDerWaalsContact O-CB 3.24Å; C323-S327 WeakPolarHBondContact O-CB 3.49Å; C323-S327 PolarHBondContact O-N 3.29Å; C323-C363 WeakPolarHBondContact CA-SG 3.32Å; C323-C363 HydrophobicContact CB-CB 3.72Å; C323-C363 WeakPolarHBondContact CB-SG 3.49Å; C323-C363 WeakPolarHBondContact SG-CA 3.4Å; C323-C363 WeakPolarHBondContact SG-CB 3.47Å; C323-C363 CovalentContact SG-SG 2.03Å; C323-C363 PolarHBondContact SG-SG 3.09Å
324	A	94.8	Very high	94.7	Very high	33 Å²	33	47.8 Å²	47.8	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-40.5	175.6	0	0	0	0	0	111.8	P297 L300 V322 W328	P297-A324 HydrophobicContact CB-CB 4.48Å; P297-A324 HydrophobicContact CG-CB 3.79Å; L300-A324 VanDerWaalsContact CD1-C 3.43Å; L300-A324 HydrophobicContact CD1-CB 3.84Å; L300-A324 WeakPolarHBondContact CD1-O 3.23Å; V322-A324 VanDerWaalsContact C-N 3.28Å; V322-A324 PolarHBondContact O-N 3.48Å; A324-W328 WeakPolarHBondContact O-CB 3.44Å; A324-W328 PolarHBondContact O-N 3.38Å
325	L	96	Very high	94.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-45.2	176.9	176.8	59.8	0	0	0	111.4	I295 L300 L311 W316 V322 S327 W328 L329	I295-L325 HydrophobicContact CD1-CD1 3.86Å; I295-L325 HydrophobicContact CD1-CD2 4.16Å; L300-L325 HydrophobicContact CD2-CD1 4.08Å; L311-L325 HydrophobicContact CD1-CD1 3.98Å; W316-L325 HydrophobicContact CD2-CD2 4.21Å; W316-L325 HydrophobicContact CE3-CD2 3.85Å; W316-L325 HydrophobicContact CH2-CD2 4Å; W316-L325 HydrophobicContact CZ2-CD2 4.29Å; W316-L325 HydrophobicContact CZ3-CD2 3.75Å; V322-L325 WeakPolarHBondContact O-CA 3.38Å; V322-L325 WeakPolarHBondContact O-CB 3.39Å; V322-L325 PolarHBondContact O-N 3.38Å; L325-S327 PolarHBondContact O-N 2.77Å; L325-W328 PolarHBondContact O-N 3.27Å; L325-L329 HydrophobicContact CD1-CD1 3.96Å; L325-L329 HydrophobicContact CD1-CG 4.03Å; L325-L329 HydrophobicContact CG-CD1 3.87Å; L325-L329 HydrophobicContact CG-CG 4.39Å; L325-L329 WeakPolarHBondContact O-CB 3.2Å; L325-L329 WeakPolarHBondContact O-CG 3.03Å; L325-L329 PolarHBondContact O-N 3.35Å
326	A	95.2	Very high	94.5	Very high	6 Å²	6	57 Å²	57	5%	0.05	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-44.1	177.7	0	0	0	0	0	112.1	V322 W328 L329 S330 V353 L354 V357	V322-A326 PolarHBondContact O-N 3.24Å; A326-W328 VanDerWaalsContact C-N 3.35Å; A326-W328 PolarHBondContact O-N 3.37Å; A326-L329 PolarHBondContact O-N 3.23Å; A326-S330 PolarHBondContact O-N 3.19Å; A326-S330 PolarHBondContact O-OG 3.26Å; A326-V353 HydrophobicContact CB-CG1 4.4Å; A326-L354 HydrophobicContact CB-CD2 3.93Å; A326-V357 HydrophobicContact CB-CB 4.42Å; A326-V357 HydrophobicContact CB-CG1 4.37Å; A326-V357 HydrophobicContact CB-CG2 3.89Å
327	S	94.9	Very high	94.3	Very high	70 Å²	70	58.8 Å²	58.8	49%	0.49	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-34.1	174.7	-173.9	0	0	0	0	112.8	C323 L325 S330 N331	C323-S327 VanDerWaalsContact O-CB 3.24Å; C323-S327 WeakPolarHBondContact O-CB 3.49Å; C323-S327 PolarHBondContact O-N 3.29Å; L325-S327 PolarHBondContact O-N 2.77Å; S327-S330 PolarHBondContact O-OG 2.88Å; S327-N331 PolarHBondContact O-ND2 2.87Å
328	W	96.1	Very high	93.3	Very high	45 Å²	45	59.7 Å²	59.7	17%	0.17	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-45.4	172.7	-174.2	92.4	0	0	0	111.7	L300 W303 L306 I309 A324 L325 A326 N331 F332	L300-W328 HydrophobicContact CB-CG 4.17Å; L300-W328 HydrophobicContact CD1-CB 4.13Å; L300-W328 HydrophobicContact CD2-CB 4.3Å; L300-W328 HydrophobicContact CD2-CD2 4.15Å; L300-W328 HydrophobicContact CD2-CG 4.02Å; L300-W328 HydrophobicContact CG-CG 4.47Å; L300-W328 PolarHBondContact O-NE1 3.24Å; W303-W328 HydrophobicContact CB-CZ2 4.02Å; W303-W328 AromaticContact CE3-CH2 3.96Å; W303-W328 HydrophobicContact CE3-CH2 3.96Å; W303-W328 AromaticContact CE3-CZ2 3.77Å; W303-W328 HydrophobicContact CE3-CZ2 3.77Å; W303-W328 HydrophobicContact CE3-CZ3 4.45Å; L306-W328 HydrophobicContact CD1-CH2 4.22Å; L306-W328 HydrophobicContact CD1-CZ2 4.33Å; I309-W328 HydrophobicContact CD1-CH2 4.08Å; I309-W328 HydrophobicContact CD1-CZ3 4.25Å; I309-W328 HydrophobicContact CG2-CH2 4.34Å; I309-W328 HydrophobicContact CG2-CZ3 4.26Å; A324-W328 WeakPolarHBondContact O-CB 3.44Å; A324-W328 PolarHBondContact O-N 3.38Å; L325-W328 PolarHBondContact O-N 3.27Å; A326-W328 VanDerWaalsContact C-N 3.35Å; A326-W328 PolarHBondContact O-N 3.37Å; W328-N331 PolarHBondContact O-N 2.78Å; W328-F332 HydrophobicContact CE3-CB 4.24Å; W328-F332 HydrophobicContact CE3-CG 4.42Å; W328-F332 HydrophobicContact CH2-CB 4.37Å; W328-F332 HydrophobicContact CH2-CD1 4.06Å; W328-F332 AromaticContact CH2-CD2 3.47Å; W328-F332 HydrophobicContact CH2-CD2 3.47Å; W328-F332 VanDerWaalsContact CH2-CD2 3.47Å; W328-F332 HydrophobicContact CH2-CE1 4.16Å; W328-F332 AromaticContact CH2-CE2 3.61Å; W328-F332 HydrophobicContact CH2-CE2 3.61Å; W328-F332 AromaticContact CH2-CG 3.71Å; W328-F332 HydrophobicContact CH2-CG 3.71Å; W328-F332 AromaticContact CH2-CZ 3.95Å; W328-F332 HydrophobicContact CH2-CZ 3.95Å; W328-F332 AromaticContact CZ2-CD2 3.67Å; W328-F332 HydrophobicContact CZ2-CD2 3.67Å; W328-F332 AromaticContact CZ2-CE2 3.9Å; W328-F332 HydrophobicContact CZ2-CE2 3.9Å; W328-F332 HydrophobicContact CZ2-CG 4.26Å; W328-F332 HydrophobicContact CZ3-CB 4.1Å; W328-F332 HydrophobicContact CZ3-CD1 4.04Å; W328-F332 HydrophobicContact CZ3-CD2 4.05Å; W328-F332 HydrophobicContact CZ3-CE1 4.47Å; W328-F332 HydrophobicContact CZ3-CE2 4.49Å; W328-F332 AromaticContact CZ3-CG 3.81Å; W328-F332 HydrophobicContact CZ3-CG 3.81Å; W328-F332 WeakPolarHBondContact O-CB 3.47Å; W328-F332 PolarHBondContact O-N 3.12Å
329	L	95.4	Very high	92.7	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-41.9	-179.7	-75.7	169.1	0	0	0	113	L311 L325 A326 N331 F332 Y336 L340 L354	L311-L329 HydrophobicContact CD1-CD2 4.29Å; L325-L329 HydrophobicContact CD1-CD1 3.96Å; L325-L329 HydrophobicContact CD1-CG 4.03Å; L325-L329 HydrophobicContact CG-CD1 3.87Å; L325-L329 HydrophobicContact CG-CG 4.39Å; L325-L329 WeakPolarHBondContact O-CB 3.2Å; L325-L329 WeakPolarHBondContact O-CG 3.03Å; L325-L329 PolarHBondContact O-N 3.35Å; A326-L329 PolarHBondContact O-N 3.23Å; L329-N331 PolarHBondContact O-N 2.9Å; L329-F332 PolarHBondContact O-N 3.1Å; L329-F332 VanDerWaalsContact O-N 3.16Å; L329-Y336 HydrophobicContact CD2-CD1 4.32Å; L329-Y336 HydrophobicContact CD2-CD2 4.13Å; L329-Y336 HydrophobicContact CD2-CE2 4.36Å; L329-Y336 HydrophobicContact CD2-CG 4.09Å; L329-L340 HydrophobicContact CD1-CD1 4.38Å; L329-L340 HydrophobicContact CD1-CD2 3.72Å; L329-L354 HydrophobicContact CB-CD2 4.21Å
330	S	93.7	Very high	92.9	Very high	64 Å²	64	62.9 Å²	62.9	45%	0.448	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-25.9	178.4	63.7	0	0	0	0	113.2	A326 S327	A326-S330 PolarHBondContact O-N 3.19Å; A326-S330 PolarHBondContact O-OG 3.26Å; S327-S330 PolarHBondContact O-OG 2.88Å
331	N	95	Very high	93.1	Very high	111 Å²	111	59.3 Å²	59.3	59%	0.594	32%	0.322	S	S	*	.	H	α-helix	trans	-91.5	-15.7	174.5	-74.1	-76.4	0	0	0	113.6	S327 W328 L329 Q333	S327-N331 PolarHBondContact O-ND2 2.87Å; W328-N331 PolarHBondContact O-N 2.78Å; L329-N331 PolarHBondContact O-N 2.9Å; N331-Q333 PolarHBondContact O-N 3.02Å; N331-Q333 PolarHBondContact O-NE2 2.82Å
332	F	96	Very high	93.4	Very high	30 Å²	30	55 Å²	55	13%	0.132	30%	0.3	C	S	.	.			trans	-73	109.5	-170.6	-177.5	-118.8	0	0	0	112.7	L306 I309 W328 L329 G334 Y336	L306-F332 HydrophobicContact CB-CE2 3.86Å; L306-F332 HydrophobicContact CB-CZ 3.99Å; L306-F332 WeakPolarHBondContact O-CE2 3.41Å; I309-F332 HydrophobicContact CG2-CD1 4.46Å; I309-F332 HydrophobicContact CG2-CE1 3.84Å; I309-F332 HydrophobicContact CG2-CZ 4.38Å; W328-F332 HydrophobicContact CE3-CB 4.24Å; W328-F332 HydrophobicContact CE3-CG 4.42Å; W328-F332 HydrophobicContact CH2-CB 4.37Å; W328-F332 HydrophobicContact CH2-CD1 4.06Å; W328-F332 AromaticContact CH2-CD2 3.47Å; W328-F332 HydrophobicContact CH2-CD2 3.47Å; W328-F332 VanDerWaalsContact CH2-CD2 3.47Å; W328-F332 HydrophobicContact CH2-CE1 4.16Å; W328-F332 AromaticContact CH2-CE2 3.61Å; W328-F332 HydrophobicContact CH2-CE2 3.61Å; W328-F332 AromaticContact CH2-CG 3.71Å; W328-F332 HydrophobicContact CH2-CG 3.71Å; W328-F332 AromaticContact CH2-CZ 3.95Å; W328-F332 HydrophobicContact CH2-CZ 3.95Å; W328-F332 AromaticContact CZ2-CD2 3.67Å; W328-F332 HydrophobicContact CZ2-CD2 3.67Å; W328-F332 AromaticContact CZ2-CE2 3.9Å; W328-F332 HydrophobicContact CZ2-CE2 3.9Å; W328-F332 HydrophobicContact CZ2-CG 4.26Å; W328-F332 HydrophobicContact CZ3-CB 4.1Å; W328-F332 HydrophobicContact CZ3-CD1 4.04Å; W328-F332 HydrophobicContact CZ3-CD2 4.05Å; W328-F332 HydrophobicContact CZ3-CE1 4.47Å; W328-F332 HydrophobicContact CZ3-CE2 4.49Å; W328-F332 AromaticContact CZ3-CG 3.81Å; W328-F332 HydrophobicContact CZ3-CG 3.81Å; W328-F332 WeakPolarHBondContact O-CB 3.47Å; W328-F332 PolarHBondContact O-N 3.12Å; L329-F332 PolarHBondContact O-N 3.1Å; L329-F332 VanDerWaalsContact O-N 3.16Å; F332-G334 VanDerWaalsContact CE1-CA 3.48Å; F332-G334 PolarHBondContact O-N 2.85Å; F332-Y336 HydrophobicContact CD1-CD1 4.01Å
333	Q	94.4	Very high	93.5	Very high	178 Å²	178	56.6 Å²	56.6	83%	0.832	31%	0.313	S	S	*	.			trans	-78.1	3.9	-179.4	-54.8	-57.9	-62.8	0	0	114.3	N331	N331-Q333 PolarHBondContact O-N 3.02Å; N331-Q333 PolarHBondContact O-NE2 2.82Å
334	G	94.5	Very high	93.6	Very high	26 Å²	26	57.4 Å²	57.4	27%	0.268	32%	0.318	S	S	.	.	S	Bend	trans	-88.5	-164.1	178.7	0	0	0	0	0	113.1	T307 F332	T307-G334 CarbonylContact O-C 3.37Å; T307-G334 WeakPolarHBondContact O-CA 3.4Å; F332-G334 VanDerWaalsContact CE1-CA 3.48Å; F332-G334 PolarHBondContact O-N 2.85Å
335	R	95.4	Very high	93.6	Very high	200 Å²	200	57.6 Å²	57.6	76%	0.755	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-101.4	132.6	173.9	-63.6	-178.2	179.7	-169.7	-2.9	110.6	T307 S308 I309	T307-R335 PolarHBondContact O-N 3.22Å; S308-R335 CarbonylContact C-O 3.56Å; S308-R335 VanDerWaalsContact CA-O 3.25Å; S308-R335 WeakPolarHBondContact CA-O 3.26Å; I309-R335 PolarHBondContact N-O 2.85Å
336	Y	95.1	Very high	93.4	Very high	83 Å²	83	66 Å²	66	33%	0.325	36%	0.356	S	S	.	.			trans	-135.5	169.8	168.8	65.6	-86.7	0	0	0	110.7	I309 L329 F332 G338 L340	I309-Y336 WeakPolarHBondContact O-CA 3.22Å; L329-Y336 HydrophobicContact CD2-CD1 4.32Å; L329-Y336 HydrophobicContact CD2-CD2 4.13Å; L329-Y336 HydrophobicContact CD2-CE2 4.36Å; L329-Y336 HydrophobicContact CD2-CG 4.09Å; F332-Y336 HydrophobicContact CD1-CD1 4.01Å; Y336-G338 PolarHBondContact O-N 2.8Å; Y336-L340 HydrophobicContact CD2-CD1 3.9Å; Y336-L340 HydrophobicContact CE2-CD1 4.1Å
337	D	90.5	Very high	93.2	Very high	38 Å²	38	72.1 Å²	72.1	20%	0.203	38%	0.379	C	S	.	.			trans	-87.2	93.3	176.4	44.4	-7.5	0	0	0	110.6	T310 L311 A312 N339 L340	T310-D337 WeakPolarHBondContact CA-OD1 3.49Å; T310-D337 WeakPolarHBondContact CA-OD2 3.36Å; T310-D337 WeakPolarHBondContact CB-OD2 3.45Å; L311-D337 VanDerWaalsContact N-CG 3.29Å; L311-D337 PolarHBondContact N-OD1 3.24Å; L311-D337 PolarHBondContact N-OD2 2.03Å; A312-D337 HydrophobicContact CB-CB 4.26Å; A312-D337 VanDerWaalsContact CB-OD2 3.23Å; A312-D337 WeakPolarHBondContact CB-OD2 3.48Å; A312-D337 PolarHBondContact N-OD2 3.16Å; D337-N339 PolarHBondContact O-N 2.84Å; D337-L340 WeakPolarHBondContact O-CD1 3.38Å
338	G	75.5	Confident	93.1	Very high	65 Å²	65	68.9 Å²	68.9	67%	0.67	36%	0.356	S	S	*	.	S	Bend	trans	-70.4	64.5	-179	0	0	0	0	0	114.7	Y336	Y336-G338 PolarHBondContact O-N 2.8Å
339	N	84.4	Confident	93.1	Very high	83 Å²	83	72.7 Å²	72.7	44%	0.444	38%	0.376	S	S	.	.			trans	-159.5	65.1	163.6	-176.8	69.1	0	0	0	107.8	D337 Q341 D352	D337-N339 PolarHBondContact O-N 2.84Å; N339-Q341 PolarHBondContact ND2-NE2 2.94Å; N339-Q341 PolarHBondContact O-N 3.22Å; N339-Q341 PolarHBondContact OD1-NE2 3.09Å; N339-D352 WeakPolarHBondContact CA-OD2 3.31Å
340	L	94.4	Very high	93	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.005	40%	0.395	C	S	.	.			trans	-87.6	85	176.7	-69.9	93.3	0	0	0	108.2	L311 L329 Y336 D337 D352 V353	L311-L340 HydrophobicContact CB-CD2 3.63Å; L311-L340 HydrophobicContact CB-CG 4.26Å; L311-L340 HydrophobicContact CD1-CD2 3.89Å; L311-L340 HydrophobicContact CG-CD2 4.43Å; L329-L340 HydrophobicContact CD1-CD1 4.38Å; L329-L340 HydrophobicContact CD1-CD2 3.72Å; Y336-L340 HydrophobicContact CD2-CD1 3.9Å; Y336-L340 HydrophobicContact CE2-CD1 4.1Å; D337-L340 WeakPolarHBondContact O-CD1 3.38Å; L340-D352 PolarHBondContact N-OD2 3.17Å; L340-D352 CarbonylContact O-C 3.56Å; L340-D352 WeakPolarHBondContact O-CA 3.04Å; L340-V353 HydrophobicContact CB-CB 4.08Å; L340-V353 HydrophobicContact CB-CG2 4.05Å; L340-V353 WeakPolarHBondContact O-CB 3.48Å; L340-V353 WeakPolarHBondContact O-CG2 3.29Å; L340-V353 PolarHBondContact O-N 2.92Å
341	Q	95.3	Very high	93	Very high	92 Å²	92	76.6 Å²	76.6	43%	0.43	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-75	135.4	-176	-68.2	176.1	-13	0	0	112.5	N339 E351	N339-Q341 PolarHBondContact ND2-NE2 2.94Å; N339-Q341 PolarHBondContact O-N 3.22Å; N339-Q341 PolarHBondContact OD1-NE2 3.09Å; Q341-E351 CarbonylContact C-O 3.27Å; Q341-E351 VanDerWaalsContact CA-O 3.32Å; Q341-E351 WeakPolarHBondContact CA-O 3.46Å
342	C	96.5	Very high	93	Very high	3 Å²	3	72.5 Å²	72.5	2%	0.02	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130.9	169	-65.4	0	0	0	0	110.5	C318 A348 Q349 G350 E351	C318-C342 HydrophobicContact CB-CB 3.81Å; C318-C342 WeakPolarHBondContact CB-SG 3.47Å; C318-C342 WeakPolarHBondContact SG-CB 3Å; C318-C342 CovalentContact SG-SG 2.03Å; C318-C342 PolarHBondContact SG-SG 2.96Å; C342-A348 HydrophobicContact CB-CB 4.36Å; C342-A348 WeakPolarHBondContact CB-O 3.2Å; C342-Q349 WeakPolarHBondContact O-CA 3.26Å; C342-G350 PolarHBondContact O-N 3.32Å; C342-E351 PolarHBondContact N-O 2.83Å
343	A	96.7	Very high	93	Very high	33 Å²	33	71.1 Å²	71.1	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-29.1	175.4	0	0	0	0	0	112.7	L315 W316	L315-A343 HydrophobicContact CB-CB 4.2Å; L315-A343 HydrophobicContact CD2-CB 4.14Å; W316-A343 PolarHBondContact O-N 2.96Å
344	S	95.1	Very high	92.9	Very high	42 Å²	42	64 Å²	64	29%	0.294	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.8	170.5	58	0	0	0	0	110	W316 D317 C318	W316-S344 PolarHBondContact O-N 2.89Å; D317-S344 WeakPolarHBondContact CA-OG 3.09Å; D317-S344 WeakPolarHBondContact CB-OG 3.39Å; D317-S344 PolarHBondContact OD1-OG 2.9Å; C318-S344 PolarHBondContact N-O 2.9Å
345	P	94.9	Very high	92.9	Very high	37 Å²	37	67.7 Å²	67.7	24%	0.24	35%	0.351	C	S	.	.	S	Bend	cis	-71.2	169.5	-15.6	32.2	-36.3	0	0	0	112.5	Y347 A348 Q349	P345-Y347 HydrophobicContact CB-CD1 4.06Å; P345-Y347 HydrophobicContact CB-CE1 3.86Å; P345-Y347 HydrophobicContact CG-CD1 3.73Å; P345-Y347 HydrophobicContact CG-CD2 4.42Å; P345-Y347 HydrophobicContact CG-CE1 3.21Å; P345-Y347 HydrophobicContact CG-CE2 3.97Å; P345-Y347 HydrophobicContact CG-CG 4.3Å; P345-Y347 PolarHBondContact O-N 3.39Å; P345-Y347 VanDerWaalsContact O-N 3.08Å; P345-A348 PolarHBondContact O-N 3.29Å; P345-Q349 PolarHBondContact O-N 3.39Å
346	E	92.9	Very high	92.8	Very high	176 Å²	176	58.2 Å²	58.2	82%	0.822	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-52.4	-34.4	-174	-63.6	-178.4	169.2	0	0	114.3	A348 Q349	E346-A348 VanDerWaalsContact C-N 3.26Å; E346-A348 PolarHBondContact O-N 2.72Å; E346-Q349 PolarHBondContact O-N 3.3Å
347	Y	91.3	Very high	92.7	Very high	136 Å²	136	55.1 Å²	55.1	53%	0.533	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-70.7	-17.6	-179.1	67.3	-106.8	0	0	0	114.5	P345 F360	P345-Y347 HydrophobicContact CB-CD1 4.06Å; P345-Y347 HydrophobicContact CB-CE1 3.86Å; P345-Y347 HydrophobicContact CG-CD1 3.73Å; P345-Y347 HydrophobicContact CG-CD2 4.42Å; P345-Y347 HydrophobicContact CG-CE1 3.21Å; P345-Y347 HydrophobicContact CG-CE2 3.97Å; P345-Y347 HydrophobicContact CG-CG 4.3Å; P345-Y347 PolarHBondContact O-N 3.39Å; P345-Y347 VanDerWaalsContact O-N 3.08Å; Y347-F360 HydrophobicContact CD2-CD1 4.08Å; Y347-F360 HydrophobicContact CD2-CD2 4.22Å; Y347-F360 AromaticContact CD2-CE1 4Å; Y347-F360 HydrophobicContact CD2-CE1 4Å; Y347-F360 HydrophobicContact CD2-CE2 4.15Å; Y347-F360 HydrophobicContact CD2-CG 4.2Å; Y347-F360 HydrophobicContact CD2-CZ 4.04Å; Y347-F360 HydrophobicContact CE2-CB 4.36Å; Y347-F360 HydrophobicContact CE2-CD1 4.21Å; Y347-F360 HydrophobicContact CE2-CD2 4.06Å; Y347-F360 HydrophobicContact CE2-CE2 4.43Å; Y347-F360 AromaticContact CE2-CG 3.96Å; Y347-F360 HydrophobicContact CE2-CG 3.96Å; Y347-F360 VanDerWaalsContact O-CZ 3.26Å; Y347-F360 WeakPolarHBondContact O-CZ 3.43Å
348	A	93	Very high	92.7	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.008	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-111.6	-0.1	178.8	0	0	0	0	0	112.5	C318 C342 P345 E346 G350 E351 A356 F360	C318-A348 HydrophobicContact CB-CB 4.26Å; C342-A348 HydrophobicContact CB-CB 4.36Å; C342-A348 WeakPolarHBondContact CB-O 3.2Å; P345-A348 PolarHBondContact O-N 3.29Å; E346-A348 VanDerWaalsContact C-N 3.26Å; E346-A348 PolarHBondContact O-N 2.72Å; A348-G350 PolarHBondContact O-N 3Å; A348-E351 WeakPolarHBondContact O-CB 3.38Å; A348-E351 PolarHBondContact O-N 3.08Å; A348-A356 HydrophobicContact CB-CB 4.46Å; A348-F360 HydrophobicContact CB-CD2 4.08Å; A348-F360 HydrophobicContact CB-CE2 3.63Å; A348-F360 HydrophobicContact CB-CZ 4.43Å
349	Q	94.6	Very high	93.4	Very high	126 Å²	126	61 Å²	61	59%	0.589	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	121.9	-168.3	-173.4	178.9	8.3	0	0	112.2	C342 P345 E346	C342-Q349 WeakPolarHBondContact O-CA 3.26Å; P345-Q349 PolarHBondContact O-N 3.39Å; E346-Q349 PolarHBondContact O-N 3.3Å
350	G	93.1	Very high	93.7	Very high	40 Å²	40	61 Å²	61	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-16.6	-180	0	0	0	0	0	115.4	C342 A348	C342-G350 PolarHBondContact O-N 3.32Å; A348-G350 PolarHBondContact O-N 3Å
351	E	94.1	Very high	93.4	Very high	108 Å²	108	66.2 Å²	66.2	51%	0.505	34%	0.341	S	S	.	.	S	Bend	trans	-69.6	156.9	170.4	-60.1	-60.3	158.4	0	0	111	Q341 C342 A348 A356	Q341-E351 CarbonylContact C-O 3.27Å; Q341-E351 VanDerWaalsContact CA-O 3.32Å; Q341-E351 WeakPolarHBondContact CA-O 3.46Å; C342-E351 PolarHBondContact N-O 2.83Å; A348-E351 WeakPolarHBondContact O-CB 3.38Å; A348-E351 PolarHBondContact O-N 3.08Å; E351-A356 HydrophobicContact CB-CB 4.19Å
352	D	95.3	Very high	93.1	Very high	25 Å²	25	62.6 Å²	62.6	13%	0.134	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-72.4	142.2	171	-171	-82.2	0	0	0	110.9	N339 L340 L354 D355 A356	N339-D352 WeakPolarHBondContact CA-OD2 3.31Å; L340-D352 PolarHBondContact N-OD2 3.17Å; L340-D352 CarbonylContact O-C 3.56Å; L340-D352 WeakPolarHBondContact O-CA 3.04Å; D352-L354 PolarHBondContact O-N 2.95Å; D352-L354 PolarHBondContact OD1-N 3.25Å; D352-D355 HydrophobicContact CB-CB 4.48Å; D352-D355 PolarHBondContact O-N 3.01Å; D352-D355 VanDerWaalsContact O-N 3.15Å; D352-A356 VanDerWaalsContact O-CB 3.32Å; D352-A356 WeakPolarHBondContact O-CB 3.38Å; D352-A356 PolarHBondContact O-N 3Å
353	V	95.1	Very high	92.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-50.5	-38.1	178.8	158.9	0	0	0	0	113	W316 V322 A326 L340 V357	W316-V353 HydrophobicContact CB-CG2 3.85Å; W316-V353 HydrophobicContact CG-CG2 4Å; V322-V353 HydrophobicContact CG2-CG1 3.59Å; V322-V353 HydrophobicContact CG2-CG2 4.14Å; A326-V353 HydrophobicContact CB-CG1 4.4Å; L340-V353 HydrophobicContact CB-CB 4.08Å; L340-V353 HydrophobicContact CB-CG2 4.05Å; L340-V353 WeakPolarHBondContact O-CB 3.48Å; L340-V353 WeakPolarHBondContact O-CG2 3.29Å; L340-V353 PolarHBondContact O-N 2.92Å; V353-V357 WeakPolarHBondContact O-CB 3.36Å; V353-V357 VanDerWaalsContact O-CG2 3.25Å; V353-V357 WeakPolarHBondContact O-CG2 3.46Å; V353-V357 PolarHBondContact O-N 3.07Å
354	L	93.8	Very high	92.1	Very high	28 Å²	28	69 Å²	69	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-74.4	-47.5	178.9	-64.9	-179.8	0	0	0	111.3	A326 L329 D352 A356 V357 Y358	A326-L354 HydrophobicContact CB-CD2 3.93Å; L329-L354 HydrophobicContact CB-CD2 4.21Å; D352-L354 PolarHBondContact O-N 2.95Å; D352-L354 PolarHBondContact OD1-N 3.25Å; L354-A356 PolarHBondContact O-N 2.9Å; L354-V357 PolarHBondContact O-N 3.04Å; L354-Y358 WeakPolarHBondContact O-CD2 3.24Å; L354-Y358 PolarHBondContact O-N 3.09Å
355	D	93.4	Very high	90.5	Very high	105 Å²	105	74.7 Å²	74.7	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-64.8	-40.1	-179.4	-69.3	-29.9	0	0	0	111.4	D352 V357 Y358 A359	D352-D355 HydrophobicContact CB-CB 4.48Å; D352-D355 PolarHBondContact O-N 3.01Å; D352-D355 VanDerWaalsContact O-N 3.15Å; D355-V357 PolarHBondContact O-N 3.04Å; D355-Y358 PolarHBondContact O-N 2.72Å; D355-A359 VanDerWaalsContact O-CB 3.24Å; D355-A359 WeakPolarHBondContact O-CB 3.13Å; D355-A359 PolarHBondContact O-N 2.99Å
356	A	93.3	Very high	88.3	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.008	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-38.9	174.3	0	0	0	0	0	112.8	A348 E351 D352 L354 Y358 A359 F360	A348-A356 HydrophobicContact CB-CB 4.46Å; E351-A356 HydrophobicContact CB-CB 4.19Å; D352-A356 VanDerWaalsContact O-CB 3.32Å; D352-A356 WeakPolarHBondContact O-CB 3.38Å; D352-A356 PolarHBondContact O-N 3Å; L354-A356 PolarHBondContact O-N 2.9Å; A356-Y358 VanDerWaalsContact C-N 3.33Å; A356-Y358 PolarHBondContact O-N 3.1Å; A356-A359 PolarHBondContact O-N 2.96Å; A356-F360 HydrophobicContact CB-CD2 4.06Å; A356-F360 HydrophobicContact CB-CE2 4.17Å; A356-F360 WeakPolarHBondContact O-CB 3.44Å; A356-F360 VanDerWaalsContact O-CD2 3.25Å; A356-F360 WeakPolarHBondContact O-CD2 3.34Å; A356-F360 PolarHBondContact O-N 3.01Å
357	V	93.4	Very high	85.7	Confident	18 Å²	18	72 Å²	72	11%	0.109	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-40.1	176.1	159	0	0	0	0	111.9	V322 A326 V353 L354 D355 H361 L362 C363	V322-V357 HydrophobicContact CG1-CG2 3.57Å; A326-V357 HydrophobicContact CB-CB 4.42Å; A326-V357 HydrophobicContact CB-CG1 4.37Å; A326-V357 HydrophobicContact CB-CG2 3.89Å; V353-V357 WeakPolarHBondContact O-CB 3.36Å; V353-V357 VanDerWaalsContact O-CG2 3.25Å; V353-V357 WeakPolarHBondContact O-CG2 3.46Å; V353-V357 PolarHBondContact O-N 3.07Å; L354-V357 PolarHBondContact O-N 3.04Å; D355-V357 PolarHBondContact O-N 3.04Å; V357-H361 PolarHBondContact O-N 3.46Å; V357-L362 HydrophobicContact CG2-CB 4.39Å; V357-L362 HydrophobicContact CG2-CD1 3.99Å; V357-L362 PolarHBondContact O-N 3.48Å; V357-C363 HydrophobicContact CG1-CB 4.07Å; V357-C363 VanDerWaalsContact CG1-SG 3.52Å
358	Y	90.5	Very high	82.9	Confident	157 Å²	157	73.2 Å²	73.2	62%	0.616	41%	0.407	S	S	*	.	H	α-helix	trans	-74.3	-45.7	175.1	-69.3	-64	0	0	0	112.5	L354 D355 A356 F360 H361	L354-Y358 WeakPolarHBondContact O-CD2 3.24Å; L354-Y358 PolarHBondContact O-N 3.09Å; D355-Y358 PolarHBondContact O-N 2.72Å; A356-Y358 VanDerWaalsContact C-N 3.33Å; A356-Y358 PolarHBondContact O-N 3.1Å; Y358-F360 PolarHBondContact O-N 3.02Å; Y358-H361 PolarHBondContact O-N 3.13Å
359	A	90.1	Very high	80.2	Confident	70 Å²	70	79.5 Å²	79.5	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-68.6	-33.4	-174.1	0	0	0	0	0	113.8	D355 A356	D355-A359 VanDerWaalsContact O-CB 3.24Å; D355-A359 WeakPolarHBondContact O-CB 3.13Å; D355-A359 PolarHBondContact O-N 2.99Å; A356-A359 PolarHBondContact O-N 2.96Å
360	F	90.1	Very high	77.4	Confident	83 Å²	83	79 Å²	79	36%	0.364	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9	-180	-54.6	-64.1	0	0	0	113.4	Y347 A348 A356 Y358 L362	Y347-F360 HydrophobicContact CD2-CD1 4.08Å; Y347-F360 HydrophobicContact CD2-CD2 4.22Å; Y347-F360 AromaticContact CD2-CE1 4Å; Y347-F360 HydrophobicContact CD2-CE1 4Å; Y347-F360 HydrophobicContact CD2-CE2 4.15Å; Y347-F360 HydrophobicContact CD2-CG 4.2Å; Y347-F360 HydrophobicContact CD2-CZ 4.04Å; Y347-F360 HydrophobicContact CE2-CB 4.36Å; Y347-F360 HydrophobicContact CE2-CD1 4.21Å; Y347-F360 HydrophobicContact CE2-CD2 4.06Å; Y347-F360 HydrophobicContact CE2-CE2 4.43Å; Y347-F360 AromaticContact CE2-CG 3.96Å; Y347-F360 HydrophobicContact CE2-CG 3.96Å; Y347-F360 VanDerWaalsContact O-CZ 3.26Å; Y347-F360 WeakPolarHBondContact O-CZ 3.43Å; A348-F360 HydrophobicContact CB-CD2 4.08Å; A348-F360 HydrophobicContact CB-CE2 3.63Å; A348-F360 HydrophobicContact CB-CZ 4.43Å; A356-F360 HydrophobicContact CB-CD2 4.06Å; A356-F360 HydrophobicContact CB-CE2 4.17Å; A356-F360 WeakPolarHBondContact O-CB 3.44Å; A356-F360 VanDerWaalsContact O-CD2 3.25Å; A356-F360 WeakPolarHBondContact O-CD2 3.34Å; A356-F360 PolarHBondContact O-N 3.01Å; Y358-F360 PolarHBondContact O-N 3.02Å; F360-L362 HydrophobicContact CB-CD2 3.65Å; F360-L362 HydrophobicContact CB-CG 3.9Å; F360-L362 PolarHBondContact O-N 3.03Å; F360-L362 VanDerWaalsContact O-N 3.09Å
361	H	89.1	Confident	74.9	Confident	110 Å²	110	83 Å²	83	51%	0.509	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	33.2	-179.1	-60.8	-93.5	0	0	0	114	V357 Y358 C363 E364	V357-H361 PolarHBondContact O-N 3.46Å; Y358-H361 PolarHBondContact O-N 3.13Å; H361-C363 PolarHBondContact O-N 3.23Å; H361-E364 HydrophobicContact CB-CG 4.43Å; H361-E364 IonicContact CE1-OE1 3.22Å; H361-E364 IonicContact CG-OE1 2.76Å; H361-E364 VanDerWaalsContact ND1-CD 3.26Å; H361-E364 IonicContact ND1-OE1 2.78Å; H361-E364 PolarHBondContact ND1-OE1 3.37Å; H361-E364 IonicContact ND1-OE2 3.38Å; H361-E364 PolarHBondContact ND1-OE2 3.45Å; H361-E364 PolarHBondContact O-N 2.98Å
362	L	88.9	Confident	72.3	Confident	16 Å²	16	80.8 Å²	80.8	8%	0.084	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.8	-166.9	-61.8	179.4	0	0	0	114.4	C318 V322 V357 F360	C318-L362 HydrophobicContact CB-CD1 4.23Å; C318-L362 WeakPolarHBondContact O-CD1 3.37Å; V322-L362 HydrophobicContact CG1-CD1 4.45Å; V357-L362 HydrophobicContact CG2-CB 4.39Å; V357-L362 HydrophobicContact CG2-CD1 3.99Å; V357-L362 PolarHBondContact O-N 3.48Å; F360-L362 HydrophobicContact CB-CD2 3.65Å; F360-L362 HydrophobicContact CB-CG 3.9Å; F360-L362 PolarHBondContact O-N 3.03Å; F360-L362 VanDerWaalsContact O-N 3.09Å
363	C	88.6	Confident	69.5	Low	49 Å²	49	88.6 Å²	88.6	33%	0.331	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	9.5	-168	-52.3	0	0	0	0	113.3	C323 V357 H361	C323-C363 WeakPolarHBondContact CA-SG 3.32Å; C323-C363 HydrophobicContact CB-CB 3.72Å; C323-C363 WeakPolarHBondContact CB-SG 3.49Å; C323-C363 WeakPolarHBondContact SG-CA 3.4Å; C323-C363 WeakPolarHBondContact SG-CB 3.47Å; C323-C363 CovalentContact SG-SG 2.03Å; C323-C363 PolarHBondContact SG-SG 3.09Å; V357-C363 HydrophobicContact CG1-CB 4.07Å; V357-C363 VanDerWaalsContact CG1-SG 3.52Å; H361-C363 PolarHBondContact O-N 3.23Å
364	E	83.7	Confident	66.6	Low	121 Å²	121	96.9 Å²	96.9	57%	0.565	56%	0.56	S	S	*	*	S	Bend	trans	-74.9	134.4	166	-69.3	179.9	-167.7	0	0	109.2	H361 G366	H361-E364 HydrophobicContact CB-CG 4.43Å; H361-E364 IonicContact CE1-OE1 3.22Å; H361-E364 IonicContact CG-OE1 2.76Å; H361-E364 VanDerWaalsContact ND1-CD 3.26Å; H361-E364 IonicContact ND1-OE1 2.78Å; H361-E364 PolarHBondContact ND1-OE1 3.37Å; H361-E364 IonicContact ND1-OE2 3.38Å; H361-E364 PolarHBondContact ND1-OE2 3.45Å; H361-E364 PolarHBondContact O-N 2.98Å; E364-G366 PolarHBondContact O-N 3.31Å
365	D	62	Low	63.8	Low	162 Å²	162	103.2 Å²	103.2	87%	0.866	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-64.1	117.6	173	-80.5	-47.5	0	0	0	108.4	A367	D365-A367 PolarHBondContact O-N 3.15Å
366	G	47.6	Very low	60.9	Low	59 Å²	59	104.4 Å²	104.4	61%	0.608	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61.3	125	-176.9	0	0	0	0	0	110.4	E364	E364-G366 PolarHBondContact O-N 3.31Å
367	A	38.8	Very low	57.9	Low	96 Å²	96	108.8 Å²	108.8	79%	0.793	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-51.4	153.6	166.1	0	0	0	0	0	110.6	D365	D365-A367 PolarHBondContact O-N 3.15Å
368	E	31.7	Very low	54.9	Low	162 Å²	162	114.1 Å²	114.1	76%	0.757	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-48.5	142.8	-170.4	-60.4	-174.9	137	0	0	113.2	T370	E368-T370 VanDerWaalsContact C-N 3.27Å; E368-T370 PolarHBondContact O-N 3.01Å
369	P	37.4	Very low	52	Low	133 Å²	133	113.4 Å²	113.4	86%	0.864	69%	0.69	S	S	*	*			trans	-69.8	84.1	177.2	30	-35.2	0	0	0	110.6	S371	P369-S371 PolarHBondContact O-N 3.02Å
370	T	34.9	Very low	49	Very low	116 Å²	116	117.5 Å²	117.5	71%	0.712	70%	0.702	S	S	*	*			trans	-71.8	70.4	176.8	41.8	0	0	0	0	111.9	E368 G372	E368-T370 VanDerWaalsContact C-N 3.27Å; E368-T370 PolarHBondContact O-N 3.01Å; T370-G372 VanDerWaalsContact C-N 3.34Å; T370-G372 PolarHBondContact O-N 3.22Å
371	S	41.2	Very low	46.1	Very low	124 Å²	124	125.4 Å²	125.4	87%	0.867	73%	0.73	S	S	*	*			trans	45.2	44.8	147.9	48.1	0	0	0	0	117.3	P369	P369-S371 PolarHBondContact O-N 3.02Å
372	G	40.3	Very low	43.3	Very low	61 Å²	61	124.5 Å²	124.5	63%	0.629	74%	0.736	S	S	*	*			trans	-89.3	117.3	169.9	0	0	0	0	0	112.8	T370	T370-G372 VanDerWaalsContact C-N 3.34Å; T370-G372 PolarHBondContact O-N 3.22Å
373	H	36.5	Very low	40.4	Very low	190 Å²	190	130.5 Å²	130.5	88%	0.88	77%	0.768	S	S	*	*			trans	74.6	95.4	174.5	-58.4	-75.1	0	0	0	118.8
374	L	33.5	Very low	37.7	Very low	174 Å²	174	135.9 Å²	135.9	91%	0.911	79%	0.793	S	S	*	*			trans	-123.7	134.8	138.2	-104.3	168.9	0	0	0	108.7
375	L	35.5	Very low	35.1	Very low	161 Å²	161	133.5 Å²	133.5	84%	0.843	80%	0.801	S	S	*	*			trans	-80.8	138.4	175.7	-66	98.6	0	0	0	110.8
376	S	31.7	Very low	34.3	Very low	129 Å²	129	131.7 Å²	131.7	90%	0.902	80%	0.798	S	S	*	*			trans	-156.4	153.4	155.5	-81.4	0	0	0	0	109.1
377	A	29.8	Very low	34.7	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	81%	0.807	S	S	*	*			trans	-131.5	159.6	-162.4	0	0	0	0	0	113.2
378	V	30.4	Very low	34.2	Very low	130 Å²	130	134.3 Å²	134.3	79%	0.788	80%	0.803	S	S	*	*			trans	64.9	113.4	164.8	-176.6	0	0	0	0	117
379	T	30	Very low	34.1	Very low	142 Å²	142	132 Å²	132	87%	0.871	81%	0.805	S	S	*	*				-160.1	144.5	120.5	5.9	0	0	0	0	111.5
380	N	28.1	Very low	33.8	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	80%	0.8	S	S	*	*			trans	-86.3	139.7	175.2	-73.2	-26.6	0	0	0	111
381	R	28.5	Very low	33.5	Very low	249 Å²	249	129.5 Å²	129.5	94%	0.94	80%	0.801	S	S	*	*				-166.8	160.2	117.4	-110.5	173.1	176.8	170	-1.3	113.3
382	S	29.7	Very low	33	Very low	91 Å²	91	129.7 Å²	129.7	64%	0.636	80%	0.797	S	S	*	*			trans	-90	161.4	177.1	52.1	0	0	0	0	111.7
383	D	28.6	Very low	32.4	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	81%	0.809	S	S	*	*				-175.2	-177.6	106.4	-88.1	-8.6	0	0	0	112.9
384	L	32.2	Very low	32.1	Very low	161 Å²	161	132.6 Å²	132.6	84%	0.843	81%	0.809	S	S	*	*			trans	-77.6	159	-153.3	-65.9	62.1	0	0	0	116.5
385	G	29.1	Very low	32	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	80%	0.803	S	S	*	*				120.5	112.1	126.6	0	0	0	0	0	120
386	P	45.4	Very low	31.8	Very low	124 Å²	124	129.1 Å²	129.1	81%	0.805	81%	0.806	S	S	*	*			trans	-105.6	-157.6	160.2	44.6	-35.6	0	0	0	109.8
387	P	54.9	Low	31.7	Very low	123 Å²	123	126 Å²	126	80%	0.799	79%	0.794	S	S	*	*			cis	-133.7	175.1	-15	41.8	-26.1	0	0	0	115.5
388	A	28	Very low	31.7	Very low	86 Å²	86	125.4 Å²	125.4	71%	0.711	80%	0.797	S	S	*	*			trans	-171.8	120.6	152	0	0	0	0	0	108.5
389	S	30.3	Very low	31.7	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	81%	0.806	S	S	*	*				60.1	133.3	73.6	76.1	0	0	0	0	114.2
390	S	31.1	Very low	31.6	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	80%	0.803	S	S	*	*			cis	-166.1	160.9	21.4	55.9	0	0	0	0	114.5
391	A	29.6	Very low	31.6	Very low	87 Å²	87	127.9 Å²	127.9	72%	0.719	81%	0.806	S	S	*	*			trans	53.8	131.2	148.3	0	0	0	0	0	120.5
392	T	29.2	Very low	31.7	Very low	129 Å²	129	124.1 Å²	124.1	79%	0.791	80%	0.799	S	S	*	*			cis	89.7	113.4	40.5	-58.1	0	0	0	0	115
393	T	28.5	Very low	31.6	Very low	145 Å²	145	126.3 Å²	126.3	89%	0.89	80%	0.803	S	S	*	*			trans	-156.6	164.6	147.9	19.1	0	0	0	0	110.9
394	L	29.5	Very low	31.7	Very low	166 Å²	166	122.8 Å²	122.8	87%	0.869	80%	0.801	S	S	*	*			trans	-146.2	178.8	-167.8	-100.1	164.2	0	0	0	111.1
395	A	32.7	Very low	31.3	Very low	96 Å²	96	120.5 Å²	120.5	79%	0.793	79%	0.794	S	S	*	*			trans	74.1	166.6	164.9	0	0	0	0	0	117.4
396	D	30.9	Very low	31.3	Very low	167 Å²	167	126.9 Å²	126.9	89%	0.893	80%	0.801	S	S	*	*			cis	-176.7	165.3	-35.4	-165.4	49.2	0	0	0	106.4
397	G	29.6	Very low	30.5	Very low	63 Å²	63	128.4 Å²	128.4	65%	0.649	80%	0.798	S	S	*	*			cis	173.6	-169.6	-0.5	0	0	0	0	0	110
398	G	30.1	Very low	29.7	Very low	81 Å²	81	128.2 Å²	128.2	84%	0.835	80%	0.796	S	S	*	*			trans	132.5	154.6	161.6	0	0	0	0	0	118.9
399	E	29.5	Very low	29.6	Very low	209 Å²	209	127.6 Å²	127.6	98%	0.977	79%	0.792	S	S	*	*			trans	-123	177	-172.3	-57.1	170.9	113.9	0	0	113
400	G	28.5	Very low	29.5	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	79%	0.794	S	S	*	*			trans	178.5	137	166.9	0	0	0	0	0	114.8
401	Q	27.4	Very low	29.5	Very low	191 Å²	191	130.4 Å²	130.4	89%	0.893	80%	0.799	S	S	*	*			trans	-155.5	134.1	-167	-173.7	177.1	12.8	0	0	114.7
402	H	30.9	Very low	29.3	Very low	170 Å²	170	131 Å²	131	79%	0.787	80%	0.803	S	S	*	*			trans	-168.9	160.4	154.4	-96.6	-81.3	0	0	0	107.9
403	D	27.8	Very low	29.5	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	81%	0.807	S	S	*	*			cis	90.1	149.9	16.8	171.7	59.2	0	0	0	117
404	G	30.1	Very low	29.9	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	80%	0.803	S	S	*	*			trans	136.8	37.3	173.5	0	0	0	0	0	121.7
405	T	24.7	Very low	30.3	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.693	80%	0.801	S	S	*	*			trans	-0.7	153.3	160.9	-22.5	0	0	0	0	125.3
406	F	28	Very low	30.4	Very low	206 Å²	206	125.8 Å²	125.8	90%	0.904	79%	0.792	S	S	*	*			trans	107.2	155.2	151	-85.2	-70.4	0	0	0	122.4
407	E	28.9	Very low	30.7	Very low	157 Å²	157	126.3 Å²	126.3	73%	0.734	79%	0.789	S	S	*	*			trans	-128.6	174.1	-156.6	-149.2	-158.8	-97.6	0	0	111.7	A409	E407-A409 PolarHBondContact OE2-N 3.41Å
408	P	39.2	Very low	31.2	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	80%	0.799	S	S	*	*				-153.8	148.2	82.3	39.1	-18.5	0	0	0	119.9
409	A	26.1	Very low	31.9	Very low	74 Å²	74	131.5 Å²	131.5	61%	0.612	79%	0.785	S	S	*	*			trans	68.7	119.2	136.6	0	0	0	0	0	124.2	E407	E407-A409 PolarHBondContact OE2-N 3.41Å
410	T	27.4	Very low	32.7	Very low	140 Å²	140	128.3 Å²	128.3	86%	0.859	77%	0.77	S	S	*	*				-160.1	115.2	118.2	15.6	0	0	0	0	115.7
411	V	30.2	Very low	33.7	Very low	142 Å²	142	129.6 Å²	129.6	86%	0.861	76%	0.758	S	S	*	*			trans	22.9	114.4	148.1	-171.4	0	0	0	0	121
412	A	26.8	Very low	34.8	Very low	98 Å²	98	123.5 Å²	123.5	81%	0.81	74%	0.741	S	S	*	*				-171.8	149.9	124	0	0	0	0	0	113.1
413	L	33.2	Very low	36	Very low	165 Å²	165	119 Å²	119	86%	0.864	73%	0.725	S	S	*	*			trans	-115.2	143.4	165.7	-92.5	166.7	0	0	0	108.1
414	P	37.1	Very low	37.4	Very low	125 Å²	125	118.3 Å²	118.3	81%	0.812	72%	0.717	S	S	*	*				-146.4	170.6	87.9	39.5	-23.6	0	0	0	115
415	G	37.6	Very low	38.8	Very low	79 Å²	79	120.5 Å²	120.5	81%	0.814	71%	0.712	S	S	*	*			trans	-108.9	156.1	168.4	0	0	0	0	0	112.6
416	G	34	Very low	40.5	Very low	59 Å²	59	121.6 Å²	121.6	61%	0.608	71%	0.709	S	S	*	*			trans	-175.7	-0.6	-179.9	0	0	0	0	0	119.9	H418	G416-H418 VanDerWaalsContact C-N 3.31Å; G416-H418 PolarHBondContact O-N 3.26Å
417	E	38.1	Very low	42.1	Very low	178 Å²	178	118.7 Å²	118.7	83%	0.832	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	8.8	-160.8	-59.6	-169.3	128.7	0	0	117.6
418	H	40.4	Very low	44	Very low	187 Å²	187	115.9 Å²	115.9	87%	0.866	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	3	178.4	-76.7	-4.9	0	0	0	115	G416	G416-H418 VanDerWaalsContact C-N 3.31Å; G416-H418 PolarHBondContact O-N 3.26Å
419	A	44	Very low	45.5	Very low	65 Å²	65	113.8 Å²	113.8	54%	0.537	67%	0.674	S	S	.	*	S	Bend	trans	-89.2	-39	176.3	0	0	0	0	0	113.8
420	E	47	Very low	47.7	Very low	142 Å²	142	113.6 Å²	113.6	66%	0.664	67%	0.665	S	S	*	*	H	α-helix	trans	-73.9	-40.4	-164.3	-60.1	-156.7	113.7	0	0	114.2	A422 V423 Q424	E420-A422 VanDerWaalsContact C-N 3.31Å; E420-A422 PolarHBondContact O-N 3.45Å; E420-V423 PolarHBondContact O-N 3.34Å; E420-V423 VanDerWaalsContact O-N 3.09Å; E420-Q424 PolarHBondContact O-N 3.2Å
421	N	48.5	Very low	50	Low	106 Å²	106	108.6 Å²	108.6	57%	0.567	64%	0.641	S	S	*	*	H	α-helix	trans	-61.8	-37.9	-177.3	-69.7	-21.8	0	0	0	112.4	Q424 I425	N421-Q424 PolarHBondContact O-N 3.43Å; N421-I425 WeakPolarHBondContact O-CG1 3.25Å; N421-I425 PolarHBondContact O-N 3.46Å; N421-I425 VanDerWaalsContact O-N 3.15Å
422	A	51.2	Low	52.3	Low	64 Å²	64	105 Å²	105	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-64.7	-39.9	175.1	0	0	0	0	0	112.1	E420 H426	E420-A422 VanDerWaalsContact C-N 3.31Å; E420-A422 PolarHBondContact O-N 3.45Å; A422-H426 PolarHBondContact O-N 3.07Å; A422-H426 VanDerWaalsContact O-N 3.1Å
423	V	55.8	Low	55	Low	75 Å²	75	104.9 Å²	104.9	46%	0.455	60%	0.603	S	S	.	*	H	α-helix	trans	-68.8	-35.1	178.9	174.3	0	0	0	0	111.7	E420 K427	E420-V423 PolarHBondContact O-N 3.34Å; E420-V423 VanDerWaalsContact O-N 3.09Å; V423-K427 HydrophobicContact CG1-CD 4.21Å; V423-K427 WeakPolarHBondContact O-CD 3.36Å; V423-K427 VanDerWaalsContact O-CG 3.27Å; V423-K427 WeakPolarHBondContact O-CG 3.47Å; V423-K427 PolarHBondContact O-N 3.46Å
424	Q	56.4	Low	57.2	Low	122 Å²	122	99.8 Å²	99.8	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-47.9	174.5	-67.3	-168.5	16	0	0	112.1	E420 N421 H426 K427 V428	E420-Q424 PolarHBondContact O-N 3.2Å; N421-Q424 PolarHBondContact O-N 3.43Å; Q424-H426 PolarHBondContact O-N 3.19Å; Q424-K427 WeakPolarHBondContact O-CB 3.25Å; Q424-K427 PolarHBondContact O-N 3.48Å; Q424-K427 VanDerWaalsContact O-N 3.15Å; Q424-V428 PolarHBondContact O-N 2.83Å; Q424-V428 VanDerWaalsContact O-N 3.08Å
425	I	60.4	Low	59.5	Low	115 Å²	115	99.7 Å²	99.7	59%	0.59	58%	0.577	S	S	*	*	H	α-helix	trans	-60.1	-44.9	179.7	-65.8	166.8	0	0	0	110.8	N421 K427 V428 V429	N421-I425 WeakPolarHBondContact O-CG1 3.25Å; N421-I425 PolarHBondContact O-N 3.46Å; N421-I425 VanDerWaalsContact O-N 3.15Å; I425-K427 VanDerWaalsContact C-N 3.31Å; I425-K427 PolarHBondContact O-N 2.82Å; I425-V428 PolarHBondContact O-N 3.03Å; I425-V429 HydrophobicContact CG2-CG2 4.42Å; I425-V429 WeakPolarHBondContact O-CG2 3.26Å; I425-V429 PolarHBondContact O-N 3.36Å
426	H	60.5	Low	61.8	Low	136 Å²	136	100 Å²	100	63%	0.63	56%	0.56	S	S	*	*	H	α-helix	trans	-61.4	-38.6	177.7	-163.9	-60.5	0	0	0	112.2	A422 Q424 T430	A422-H426 PolarHBondContact O-N 3.07Å; A422-H426 VanDerWaalsContact O-N 3.1Å; Q424-H426 PolarHBondContact O-N 3.19Å; H426-T430 PolarHBondContact CE1-OG1 3.23Å; H426-T430 PolarHBondContact ND1-OG1 3.28Å; H426-T430 VanDerWaalsContact ND1-OG1 3.08Å; H426-T430 WeakPolarHBondContact O-CB 3.5Å; H426-T430 PolarHBondContact O-N 3.15Å; H426-T430 PolarHBondContact O-OG1 3.5Å
427	K	61.2	Low	64.3	Low	145 Å²	145	103.4 Å²	103.4	63%	0.63	56%	0.558	S	S	*	*	H	α-helix	trans	-64	-43.5	176.5	-75.6	168.9	-178.8	174.2	0	112	V423 Q424 I425 T430 G431	V423-K427 HydrophobicContact CG1-CD 4.21Å; V423-K427 WeakPolarHBondContact O-CD 3.36Å; V423-K427 VanDerWaalsContact O-CG 3.27Å; V423-K427 WeakPolarHBondContact O-CG 3.47Å; V423-K427 PolarHBondContact O-N 3.46Å; Q424-K427 WeakPolarHBondContact O-CB 3.25Å; Q424-K427 PolarHBondContact O-N 3.48Å; Q424-K427 VanDerWaalsContact O-N 3.15Å; I425-K427 VanDerWaalsContact C-N 3.31Å; I425-K427 PolarHBondContact O-N 2.82Å; K427-T430 PolarHBondContact O-N 3.23Å; K427-G431 PolarHBondContact O-N 3.48Å
428	V	67.8	Low	66.7	Low	98 Å²	98	98.1 Å²	98.1	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-63.3	-48.1	177.5	175.7	0	0	0	0	111.2	Q424 I425 T430 G431 T432	Q424-V428 PolarHBondContact O-N 2.83Å; Q424-V428 VanDerWaalsContact O-N 3.08Å; I425-V428 PolarHBondContact O-N 3.03Å; V428-T430 VanDerWaalsContact C-N 3.34Å; V428-T430 PolarHBondContact O-N 3.24Å; V428-G431 PolarHBondContact O-N 3.42Å; V428-T432 PolarHBondContact O-N 3.28Å; V428-T432 PolarHBondContact O-OG1 3.03Å
429	V	72.2	Confident	69.1	Low	74 Å²	74	95.8 Å²	95.8	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-37.8	178.8	175.6	0	0	0	0	111.8	I425 T432 M433	I425-V429 HydrophobicContact CG2-CG2 4.42Å; I425-V429 WeakPolarHBondContact O-CG2 3.26Å; I425-V429 PolarHBondContact O-N 3.36Å; V429-T432 PolarHBondContact O-OG1 3.25Å; V429-M433 HydrophobicContact CG1-CG 4.45Å; V429-M433 WeakPolarHBondContact O-CB 3.43Å; V429-M433 VanDerWaalsContact O-CG 3.23Å; V429-M433 WeakPolarHBondContact O-CG 3.42Å; V429-M433 PolarHBondContact O-N 3.47Å; V429-M433 VanDerWaalsContact O-N 3.1Å
430	T	71.1	Confident	71.1	Confident	71 Å²	71	97.1 Å²	97.1	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-65.6	-40.4	175.2	-51.8	0	0	0	0	111	H426 K427 V428 A434	H426-T430 PolarHBondContact CE1-OG1 3.23Å; H426-T430 PolarHBondContact ND1-OG1 3.28Å; H426-T430 VanDerWaalsContact ND1-OG1 3.08Å; H426-T430 WeakPolarHBondContact O-CB 3.5Å; H426-T430 PolarHBondContact O-N 3.15Å; H426-T430 PolarHBondContact O-OG1 3.5Å; K427-T430 PolarHBondContact O-N 3.23Å; V428-T430 VanDerWaalsContact C-N 3.34Å; V428-T430 PolarHBondContact O-N 3.24Å; T430-A434 VanDerWaalsContact O-CB 3.3Å; T430-A434 WeakPolarHBondContact O-CB 3.29Å; T430-A434 PolarHBondContact O-N 3.17Å
431	G	76.7	Confident	73.1	Confident	34 Å²	34	95.3 Å²	95.3	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-45.7	177.9	0	0	0	0	0	113.5	K427 V428 A434 L435	K427-G431 PolarHBondContact O-N 3.48Å; V428-G431 PolarHBondContact O-N 3.42Å; G431-A434 PolarHBondContact O-N 2.78Å; G431-L435 WeakPolarHBondContact O-CG 3.32Å; G431-L435 PolarHBondContact O-N 3.29Å
432	T	78.9	Confident	75.1	Confident	66 Å²	66	94 Å²	94	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-42	177.8	54.7	0	0	0	0	111.8	V428 V429 L435 I436	V428-T432 PolarHBondContact O-N 3.28Å; V428-T432 PolarHBondContact O-OG1 3.03Å; V429-T432 PolarHBondContact O-OG1 3.25Å; T432-L435 PolarHBondContact O-N 2.81Å; T432-I436 VanDerWaalsContact O-CG1 3.31Å; T432-I436 WeakPolarHBondContact O-CG1 3.36Å; T432-I436 PolarHBondContact O-N 3.28Å
433	M	82.3	Confident	76.7	Confident	96 Å²	96	94.1 Å²	94.1	47%	0.473	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-42	175.1	-68.5	-64.6	167.1	0	0	112	V429 L435 I436 F437	V429-M433 HydrophobicContact CG1-CG 4.45Å; V429-M433 WeakPolarHBondContact O-CB 3.43Å; V429-M433 VanDerWaalsContact O-CG 3.23Å; V429-M433 WeakPolarHBondContact O-CG 3.42Å; V429-M433 PolarHBondContact O-N 3.47Å; V429-M433 VanDerWaalsContact O-N 3.1Å; M433-L435 VanDerWaalsContact C-N 3.33Å; M433-L435 PolarHBondContact O-N 3.21Å; M433-I436 PolarHBondContact O-N 3.25Å; M433-I436 HydrophobicContact SD-CD1 4.45Å; M433-F437 WeakPolarHBondContact O-CD2 3.33Å; M433-F437 PolarHBondContact O-N 3.46Å
434	A	80.8	Confident	78.2	Confident	58 Å²	58	95.8 Å²	95.8	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-39.1	175.9	0	0	0	0	0	112.6	T430 G431 S438	T430-A434 VanDerWaalsContact O-CB 3.3Å; T430-A434 WeakPolarHBondContact O-CB 3.29Å; T430-A434 PolarHBondContact O-N 3.17Å; G431-A434 PolarHBondContact O-N 2.78Å; A434-S438 VanDerWaalsContact O-CB 3.25Å; A434-S438 WeakPolarHBondContact O-CB 3.49Å; A434-S438 PolarHBondContact O-N 3.03Å
435	L	84.4	Confident	79.6	Confident	124 Å²	124	94 Å²	94	65%	0.649	51%	0.512	S	S	*	.	H	α-helix	trans	-66.7	-40.4	174.2	-72.3	169.9	0	0	0	112.3	G431 T432 M433 S438 F439	G431-L435 WeakPolarHBondContact O-CG 3.32Å; G431-L435 PolarHBondContact O-N 3.29Å; T432-L435 PolarHBondContact O-N 2.81Å; M433-L435 VanDerWaalsContact C-N 3.33Å; M433-L435 PolarHBondContact O-N 3.21Å; L435-S438 PolarHBondContact O-N 2.87Å; L435-F439 WeakPolarHBondContact O-CB 3.43Å; L435-F439 PolarHBondContact O-N 2.88Å
436	I	85.2	Confident	80.5	Confident	86 Å²	86	93.8 Å²	93.8	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-46.6	176.6	-68.4	163.1	0	0	0	110.8	T432 M433 S438 F439 L440	T432-I436 VanDerWaalsContact O-CG1 3.31Å; T432-I436 WeakPolarHBondContact O-CG1 3.36Å; T432-I436 PolarHBondContact O-N 3.28Å; M433-I436 PolarHBondContact O-N 3.25Å; M433-I436 HydrophobicContact SD-CD1 4.45Å; I436-S438 PolarHBondContact O-N 2.66Å; I436-F439 PolarHBondContact O-N 3.29Å; I436-L440 HydrophobicContact CG2-CD1 3.9Å; I436-L440 HydrophobicContact CG2-CG 4.44Å; I436-L440 WeakPolarHBondContact O-CB 3.42Å; I436-L440 VanDerWaalsContact O-CG 3.31Å; I436-L440 WeakPolarHBondContact O-CG 3.33Å; I436-L440 PolarHBondContact O-N 2.84Å
437	F	86.7	Confident	81.7	Confident	129 Å²	129	93 Å²	93	57%	0.566	50%	0.504	S	S	*	.	H	α-helix	trans	-63.5	-40.8	175.4	-78.9	-65.3	0	0	0	112.2	M433 L440 I441	M433-F437 WeakPolarHBondContact O-CD2 3.33Å; M433-F437 PolarHBondContact O-N 3.46Å; F437-L440 PolarHBondContact O-N 3.06Å; F437-I441 WeakPolarHBondContact O-CB 3.47Å; F437-I441 WeakPolarHBondContact O-CD1 3.18Å; F437-I441 VanDerWaalsContact O-CG1 3.23Å; F437-I441 WeakPolarHBondContact O-CG1 3.36Å; F437-I441 PolarHBondContact O-N 3.13Å
438	S	88.5	Confident	82.6	Confident	67 Å²	67	89.4 Å²	89.4	47%	0.469	49%	0.494	S	S	.	.	H	α-helix	trans	-57	-49.6	173.1	179.6	0	0	0	0	111.7	A434 L435 I436 L440 I441 V442	A434-S438 VanDerWaalsContact O-CB 3.25Å; A434-S438 WeakPolarHBondContact O-CB 3.49Å; A434-S438 PolarHBondContact O-N 3.03Å; L435-S438 PolarHBondContact O-N 2.87Å; I436-S438 PolarHBondContact O-N 2.66Å; S438-L440 PolarHBondContact O-N 3.05Å; S438-I441 PolarHBondContact O-N 3.42Å; S438-V442 WeakPolarHBondContact O-CG2 3.25Å; S438-V442 PolarHBondContact O-N 3.27Å
439	F	91	Very high	82.9	Confident	139 Å²	139	87 Å²	87	61%	0.61	48%	0.481	S	S	*	.	H	α-helix	trans	-61.1	-46	177.4	179.9	-99.9	0	0	0	112.4	L435 I436 I441 V442 V443	L435-F439 WeakPolarHBondContact O-CB 3.43Å; L435-F439 PolarHBondContact O-N 2.88Å; I436-F439 PolarHBondContact O-N 3.29Å; F439-I441 PolarHBondContact O-N 3.41Å; F439-V442 PolarHBondContact O-N 3.33Å; F439-V443 HydrophobicContact CD1-CG2 4.23Å; F439-V443 HydrophobicContact CE1-CG2 3.84Å; F439-V443 HydrophobicContact CE2-CG2 4.24Å; F439-V443 HydrophobicContact CZ-CG2 3.84Å; F439-V443 WeakPolarHBondContact O-CG2 3.29Å; F439-V443 PolarHBondContact O-N 3.1Å
440	L	86.8	Confident	82.8	Confident	93 Å²	93	92.5 Å²	92.5	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-38.6	178	-71.2	171.7	0	0	0	112.4	I436 F437 S438 V443 L444	I436-L440 HydrophobicContact CG2-CD1 3.9Å; I436-L440 HydrophobicContact CG2-CG 4.44Å; I436-L440 WeakPolarHBondContact O-CB 3.42Å; I436-L440 VanDerWaalsContact O-CG 3.31Å; I436-L440 WeakPolarHBondContact O-CG 3.33Å; I436-L440 PolarHBondContact O-N 2.84Å; F437-L440 PolarHBondContact O-N 3.06Å; S438-L440 PolarHBondContact O-N 3.05Å; L440-V443 PolarHBondContact O-N 2.96Å; L440-L444 VanDerWaalsContact O-CB 3.31Å; L440-L444 WeakPolarHBondContact O-CB 3.32Å; L440-L444 PolarHBondContact O-N 2.92Å
441	I	89.5	Confident	82.8	Confident	103 Å²	103	96 Å²	96	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-65.3	-43.1	174.5	-69.5	165.3	0	0	0	110.6	F437 S438 F439 L444 V445	F437-I441 WeakPolarHBondContact O-CB 3.47Å; F437-I441 WeakPolarHBondContact O-CD1 3.18Å; F437-I441 VanDerWaalsContact O-CG1 3.23Å; F437-I441 WeakPolarHBondContact O-CG1 3.36Å; F437-I441 PolarHBondContact O-N 3.13Å; S438-I441 PolarHBondContact O-N 3.42Å; F439-I441 PolarHBondContact O-N 3.41Å; I441-L444 PolarHBondContact O-N 2.99Å; I441-V445 HydrophobicContact CG2-CG2 4.41Å; I441-V445 WeakPolarHBondContact O-CB 3.46Å; I441-V445 WeakPolarHBondContact O-CG2 3.41Å; I441-V445 PolarHBondContact O-N 3.43Å
442	V	89.2	Confident	82.3	Confident	79 Å²	79	98 Å²	98	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-44.6	175.6	170.5	0	0	0	0	111.3	S438 F439 L444 V445 L446	S438-V442 WeakPolarHBondContact O-CG2 3.25Å; S438-V442 PolarHBondContact O-N 3.27Å; F439-V442 PolarHBondContact O-N 3.33Å; V442-L444 PolarHBondContact O-N 3.01Å; V442-V445 PolarHBondContact O-N 3.45Å; V442-L446 HydrophobicContact CG1-CD1 3.94Å; V442-L446 HydrophobicContact CG1-CG 4.46Å; V442-L446 WeakPolarHBondContact O-CB 3.46Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.34Å; V442-L446 PolarHBondContact O-N 3.46Å
443	V	85.2	Confident	81.5	Confident	67 Å²	67	101.5 Å²	101.5	41%	0.406	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-40.9	176	171.6	0	0	0	0	111.5	F439 L440 L446 Y447	F439-V443 HydrophobicContact CD1-CG2 4.23Å; F439-V443 HydrophobicContact CE1-CG2 3.84Å; F439-V443 HydrophobicContact CE2-CG2 4.24Å; F439-V443 HydrophobicContact CZ-CG2 3.84Å; F439-V443 WeakPolarHBondContact O-CG2 3.29Å; F439-V443 PolarHBondContact O-N 3.1Å; L440-V443 PolarHBondContact O-N 2.96Å; V443-L446 PolarHBondContact O-N 3.24Å; V443-Y447 WeakPolarHBondContact O-CB 3.4Å; V443-Y447 PolarHBondContact O-N 2.96Å
444	L	87.7	Confident	80.5	Confident	109 Å²	109	100.1 Å²	100.1	57%	0.571	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-46.5	175.8	-172.3	73.5	0	0	0	111.7	L440 I441 V442 L446 Y447 V448	L440-L444 VanDerWaalsContact O-CB 3.31Å; L440-L444 WeakPolarHBondContact O-CB 3.32Å; L440-L444 PolarHBondContact O-N 2.92Å; I441-L444 PolarHBondContact O-N 2.99Å; V442-L444 PolarHBondContact O-N 3.01Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 3.1Å; L444-Y447 PolarHBondContact O-N 3.06Å; L444-V448 WeakPolarHBondContact O-CB 2.95Å; L444-V448 WeakPolarHBondContact O-CG2 3.38Å; L444-V448 PolarHBondContact O-N 3.27Å
445	V	84.9	Confident	79.3	Confident	85 Å²	85	100.7 Å²	100.7	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-39.9	177.1	170.3	0	0	0	0	110.9	I441 V442 S449	I441-V445 HydrophobicContact CG2-CG2 4.41Å; I441-V445 WeakPolarHBondContact O-CB 3.46Å; I441-V445 WeakPolarHBondContact O-CG2 3.41Å; I441-V445 PolarHBondContact O-N 3.43Å; V442-V445 PolarHBondContact O-N 3.45Å; V445-S449 WeakPolarHBondContact O-CB 3.12Å; V445-S449 PolarHBondContact O-N 3Å; V445-S449 PolarHBondContact O-OG 3.47Å
446	L	79.6	Confident	78	Confident	110 Å²	110	97.7 Å²	97.7	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-65	-43.8	174.4	-73.1	170.1	0	0	0	112	V442 V443 L444 S449 W450	V442-L446 HydrophobicContact CG1-CD1 3.94Å; V442-L446 HydrophobicContact CG1-CG 4.46Å; V442-L446 WeakPolarHBondContact O-CB 3.46Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.34Å; V442-L446 PolarHBondContact O-N 3.46Å; V443-L446 PolarHBondContact O-N 3.24Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 3.1Å; L446-S449 PolarHBondContact O-N 3.16Å; L446-W450 VanDerWaalsContact O-CB 3.26Å; L446-W450 WeakPolarHBondContact O-CB 3.34Å; L446-W450 PolarHBondContact O-N 3.47Å
447	Y	85.5	Confident	76.7	Confident	120 Å²	120	96.9 Å²	96.9	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-48.8	176.9	177.5	-94.1	0	0	0	112	V443 L444 W450 K451	V443-Y447 WeakPolarHBondContact O-CB 3.4Å; V443-Y447 PolarHBondContact O-N 2.96Å; L444-Y447 PolarHBondContact O-N 3.06Å; Y447-W450 PolarHBondContact O-N 3.47Å; Y447-K451 HydrophobicContact CE1-CD 3.79Å; Y447-K451 VanDerWaalsContact O-CB 3.28Å; Y447-K451 WeakPolarHBondContact O-CB 3.49Å; Y447-K451 PolarHBondContact O-N 3.35Å; Y447-K451 PolarHBondContact OH-NZ 3.18Å
448	V	81.5	Confident	75.4	Confident	70 Å²	70	99 Å²	99	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-43.7	176.7	172.6	0	0	0	0	110.8	L444 W450 K451 C452	L444-V448 WeakPolarHBondContact O-CB 2.95Å; L444-V448 WeakPolarHBondContact O-CG2 3.38Å; L444-V448 PolarHBondContact O-N 3.27Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 PolarHBondContact O-N 3.25Å; V448-K451 PolarHBondContact O-N 3.31Å; V448-C452 VanDerWaalsContact O-CB 3.3Å; V448-C452 WeakPolarHBondContact O-CB 3.11Å; V448-C452 PolarHBondContact O-N 3.3Å
449	S	73.9	Confident	74	Confident	47 Å²	47	102.7 Å²	102.7	33%	0.329	52%	0.524	S	S	.	.	H	α-helix	trans	-61.5	-41	176.8	-60.1	0	0	0	0	112.2	V445 L446 F453	V445-S449 WeakPolarHBondContact O-CB 3.12Å; V445-S449 PolarHBondContact O-N 3Å; V445-S449 PolarHBondContact O-OG 3.47Å; L446-S449 PolarHBondContact O-N 3.16Å; S449-F453 CarbonylContact O-C 3.06Å; S449-F453 PolarHBondContact O-N 3.27Å
450	W	68.6	Low	72.6	Confident	190 Å²	190	100.8 Å²	100.8	72%	0.72	52%	0.519	S	S	*	.	H	α-helix	trans	-67.6	-40	177.4	-175.4	16.9	0	0	0	112.1	L446 Y447 V448 L457	L446-W450 VanDerWaalsContact O-CB 3.26Å; L446-W450 WeakPolarHBondContact O-CB 3.34Å; L446-W450 PolarHBondContact O-N 3.47Å; Y447-W450 PolarHBondContact O-N 3.47Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 PolarHBondContact O-N 3.25Å; W450-L457 HydrophobicContact CB-CD1 4.29Å
451	K	71.3	Confident	71.3	Confident	143 Å²	143	105.9 Å²	105.9	62%	0.622	53%	0.532	S	S	*	.	H	α-helix	trans	-76.9	-37.6	-177.9	-165.2	173	-172.4	175	0	113.3	Y447 V448	Y447-K451 HydrophobicContact CE1-CD 3.79Å; Y447-K451 VanDerWaalsContact O-CB 3.28Å; Y447-K451 WeakPolarHBondContact O-CB 3.49Å; Y447-K451 PolarHBondContact O-N 3.35Å; Y447-K451 PolarHBondContact OH-NZ 3.18Å; V448-K451 PolarHBondContact O-N 3.31Å
452	C	66.9	Low	70.1	Confident	76 Å²	76	107.3 Å²	107.3	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-91.9	-30.4	-177	-65	0	0	0	0	113.8	V448 P454	V448-C452 VanDerWaalsContact O-CB 3.3Å; V448-C452 WeakPolarHBondContact O-CB 3.11Å; V448-C452 PolarHBondContact O-N 3.3Å; C452-P454 VanDerWaalsContact C-CD 3.46Å
453	F	61.9	Low	68.9	Low	140 Å²	140	107.1 Å²	107.1	61%	0.614	54%	0.538	S	S	*	.			trans	-129.6	61.9	-175.7	-63.1	-76.4	0	0	0	113.8	S449 A455 S456	S449-F453 CarbonylContact O-C 3.06Å; S449-F453 PolarHBondContact O-N 3.27Å; F453-A455 PolarHBondContact O-N 2.98Å; F453-S456 PolarHBondContact O-OG 3.36Å
454	P	60.7	Low	67.9	Low	67 Å²	67	110 Å²	110	44%	0.435	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-5.2	179.8	29.4	-37.3	0	0	0	114.9	C452 R458	C452-P454 VanDerWaalsContact C-CD 3.46Å; P454-R458 WeakPolarHBondContact O-CD 3.16Å; P454-R458 WeakPolarHBondContact O-CG 3.38Å; P454-R458 PolarHBondContact O-NE 2.84Å
455	A	56.3	Low	66.9	Low	71 Å²	71	108.6 Å²	108.6	59%	0.587	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-48.3	178.1	0	0	0	0	0	113.1	F453 L457 R458 Q459	F453-A455 PolarHBondContact O-N 2.98Å; A455-L457 PolarHBondContact O-N 2.98Å; A455-R458 WeakPolarHBondContact O-CB 3.25Å; A455-R458 PolarHBondContact O-N 3.19Å; A455-R458 VanDerWaalsContact O-N 3.1Å; A455-Q459 PolarHBondContact O-N 3.5Å
456	S	56.4	Low	65.9	Low	61 Å²	61	108.1 Å²	108.1	43%	0.427	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-38.5	-175.5	55.7	0	0	0	0	112.3	F453 R458 Q459 L460	F453-S456 PolarHBondContact O-OG 3.36Å; S456-R458 VanDerWaalsContact C-N 3.26Å; S456-R458 PolarHBondContact O-N 3.2Å; S456-Q459 WeakPolarHBondContact O-CB 3.47Å; S456-Q459 PolarHBondContact O-N 3.01Å; S456-Q459 VanDerWaalsContact O-N 3.11Å; S456-L460 PolarHBondContact O-N 3.48Å
457	L	58.5	Low	65.4	Low	69 Å²	69	108.6 Å²	108.6	36%	0.361	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-30.1	174.3	-81.9	161.9	0	0	0	113.5	W450 A455 R461	W450-L457 HydrophobicContact CB-CD1 4.29Å; A455-L457 PolarHBondContact O-N 2.98Å; L457-R461 WeakPolarHBondContact O-CG 3.41Å; L457-R461 PolarHBondContact O-N 3.4Å; L457-R461 VanDerWaalsContact O-N 3.15Å
458	R	59.4	Low	64.4	Low	174 Å²	174	112.4 Å²	112.4	66%	0.657	55%	0.551	S	S	*	*	H	α-helix	trans	-70.8	-42.8	173.6	-60.9	174.5	-168.1	-153.7	-1.9	110.7	P454 A455 S456 R461 Q462	P454-R458 WeakPolarHBondContact O-CD 3.16Å; P454-R458 WeakPolarHBondContact O-CG 3.38Å; P454-R458 PolarHBondContact O-NE 2.84Å; A455-R458 WeakPolarHBondContact O-CB 3.25Å; A455-R458 PolarHBondContact O-N 3.19Å; A455-R458 VanDerWaalsContact O-N 3.1Å; S456-R458 VanDerWaalsContact C-N 3.26Å; S456-R458 PolarHBondContact O-N 3.2Å; R458-R461 PolarHBondContact O-N 2.9Å; R458-Q462 WeakPolarHBondContact O-CG 3.24Å; R458-Q462 PolarHBondContact O-N 2.94Å
459	Q	58.9	Low	63.6	Low	143 Å²	143	117.7 Å²	117.7	67%	0.668	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-39.8	178.8	-155.3	169.7	9.4	0	0	111.3	A455 S456 Q462 C463	A455-Q459 PolarHBondContact O-N 3.5Å; S456-Q459 WeakPolarHBondContact O-CB 3.47Å; S456-Q459 PolarHBondContact O-N 3.01Å; S456-Q459 VanDerWaalsContact O-N 3.11Å; Q459-Q462 PolarHBondContact O-N 2.63Å; Q459-C463 PolarHBondContact O-N 3.09Å
460	L	60.8	Low	63	Low	99 Å²	99	122.9 Å²	122.9	52%	0.518	58%	0.58	S	S	.	*	H	α-helix	trans	-62.4	-47	173.6	-149.5	80.5	0	0	0	111.8	S456 Q462 C463 F464	S456-L460 PolarHBondContact O-N 3.48Å; L460-Q462 VanDerWaalsContact C-N 3.34Å; L460-Q462 PolarHBondContact O-N 2.03Å; L460-C463 WeakPolarHBondContact O-CB 3.02Å; L460-C463 PolarHBondContact O-N 3.45Å; L460-F464 HydrophobicContact CD2-CE2 4Å; L460-F464 HydrophobicContact CG-CD2 4.33Å; L460-F464 HydrophobicContact CG-CE2 3.9Å; L460-F464 VanDerWaalsContact O-CD2 3.27Å; L460-F464 WeakPolarHBondContact O-CD2 3.33Å; L460-F464 PolarHBondContact O-N 2.84Å
461	R	60.9	Low	62.9	Low	201 Å²	201	120.1 Å²	120.1	76%	0.758	58%	0.575	S	S	*	*	H	α-helix	trans	-59.1	-41.8	174.2	-79.8	-175.9	172.6	-169.2	-1.1	112.2	L457 R458 V465	L457-R461 WeakPolarHBondContact O-CG 3.41Å; L457-R461 PolarHBondContact O-N 3.4Å; L457-R461 VanDerWaalsContact O-N 3.15Å; R458-R461 PolarHBondContact O-N 2.9Å; R461-V465 VanDerWaalsContact O-CG2 3.3Å; R461-V465 WeakPolarHBondContact O-CG2 3.37Å; R461-V465 PolarHBondContact O-N 3.09Å; R461-V465 VanDerWaalsContact O-N 3.07Å
462	Q	64.8	Low	62.5	Low	133 Å²	133	120.5 Å²	120.5	62%	0.621	58%	0.577	S	S	*	*	H	α-helix	trans	-64.7	-38.1	175.5	-74.1	175.5	-14.9	0	0	112.4	R458 Q459 L460 V465 T466	R458-Q462 WeakPolarHBondContact O-CG 3.24Å; R458-Q462 PolarHBondContact O-N 2.94Å; Q459-Q462 PolarHBondContact O-N 2.63Å; L460-Q462 VanDerWaalsContact C-N 3.34Å; L460-Q462 PolarHBondContact O-N 2.03Å; Q462-V465 PolarHBondContact O-N 3.11Å; Q462-T466 WeakPolarHBondContact O-CG2 3.46Å; Q462-T466 PolarHBondContact O-N 3.18Å; Q462-T466 PolarHBondContact O-OG1 3.28Å
463	C	63.1	Low	62.2	Low	74 Å²	74	123 Å²	123	50%	0.5	58%	0.581	S	S	.	*	H	α-helix	trans	-61.8	-52	175.9	-159.4	0	0	0	0	111.4	Q459 L460 V465 T466 Q467	Q459-C463 PolarHBondContact O-N 3.09Å; L460-C463 WeakPolarHBondContact O-CB 3.02Å; L460-C463 PolarHBondContact O-N 3.45Å; C463-V465 VanDerWaalsContact C-N 3.33Å; C463-V465 PolarHBondContact O-N 3.3Å; C463-T466 PolarHBondContact O-N 3.27Å; C463-T466 PolarHBondContact O-OG1 3.5Å; C463-Q467 WeakPolarHBondContact O-CB 2.92Å; C463-Q467 PolarHBondContact O-N 3.27Å
464	F	64.2	Low	62	Low	128 Å²	128	123.8 Å²	123.8	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-60.1	-38.5	176.5	-74.8	-63.1	0	0	0	113.4	L460 Q467 R468	L460-F464 HydrophobicContact CD2-CE2 4Å; L460-F464 HydrophobicContact CG-CD2 4.33Å; L460-F464 HydrophobicContact CG-CE2 3.9Å; L460-F464 VanDerWaalsContact O-CD2 3.27Å; L460-F464 WeakPolarHBondContact O-CD2 3.33Å; L460-F464 PolarHBondContact O-N 2.84Å; F464-Q467 PolarHBondContact O-N 2.91Å; F464-R468 PolarHBondContact O-N 3.49Å
465	V	65.7	Low	61.8	Low	79 Å²	79	126.7 Å²	126.7	48%	0.479	59%	0.592	S	S	.	*	H	α-helix	trans	-66	-41.1	176.3	168.5	0	0	0	0	111.9	R461 Q462 C463 R469	R461-V465 VanDerWaalsContact O-CG2 3.3Å; R461-V465 WeakPolarHBondContact O-CG2 3.37Å; R461-V465 PolarHBondContact O-N 3.09Å; R461-V465 VanDerWaalsContact O-N 3.07Å; Q462-V465 PolarHBondContact O-N 3.11Å; C463-V465 VanDerWaalsContact C-N 3.33Å; C463-V465 PolarHBondContact O-N 3.3Å; V465-R469 WeakPolarHBondContact O-CG 3.29Å; V465-R469 PolarHBondContact O-N 3.45Å; V465-R469 VanDerWaalsContact O-N 3.07Å
466	T	65.5	Low	61.7	Low	75 Å²	75	126.6 Å²	126.6	46%	0.46	58%	0.584	S	S	.	*	H	α-helix	trans	-70.9	-34.2	176.6	50.7	0	0	0	0	112.7	Q462 C463 R469 K470	Q462-T466 WeakPolarHBondContact O-CG2 3.46Å; Q462-T466 PolarHBondContact O-N 3.18Å; Q462-T466 PolarHBondContact O-OG1 3.28Å; C463-T466 PolarHBondContact O-N 3.27Å; C463-T466 PolarHBondContact O-OG1 3.5Å; T466-R469 PolarHBondContact O-N 2.99Å; T466-K470 PolarHBondContact O-N 3.04Å
467	Q	68.1	Low	61.5	Low	120 Å²	120	130.3 Å²	130.3	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-65.9	-46.2	174.2	-162.7	171.9	9.7	0	0	111.6	C463 F464 R469 K470 Q471	C463-Q467 WeakPolarHBondContact O-CB 2.92Å; C463-Q467 PolarHBondContact O-N 3.27Å; F464-Q467 PolarHBondContact O-N 2.91Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.42Å; Q467-K470 PolarHBondContact O-N 2.62Å; Q467-Q471 PolarHBondContact O-N 3.14Å
468	R	65.5	Low	61.1	Low	201 Å²	201	134.1 Å²	134.1	76%	0.758	61%	0.612	S	S	*	*	H	α-helix	trans	-57.9	-39.7	171.6	-93.2	-174.9	167.7	-177.2	-3.4	112.7	F464 Q471 K472	F464-R468 PolarHBondContact O-N 3.49Å; R468-Q471 PolarHBondContact O-N 3.48Å; R468-K472 PolarHBondContact O-N 2.93Å
469	R	63.6	Low	60.7	Low	181 Å²	181	132 Å²	132	68%	0.683	61%	0.609	S	S	*	*	H	α-helix	trans	-62.8	-47.1	175.2	-77.1	179.6	178	-169.9	-0.3	112.1	V465 T466 Q467 Q471 K472 Q473	V465-R469 WeakPolarHBondContact O-CG 3.29Å; V465-R469 PolarHBondContact O-N 3.45Å; V465-R469 VanDerWaalsContact O-N 3.07Å; T466-R469 PolarHBondContact O-N 2.99Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.42Å; R469-Q471 VanDerWaalsContact C-N 3.31Å; R469-Q471 PolarHBondContact O-N 2.89Å; R469-K472 PolarHBondContact O-N 2.85Å; R469-Q473 WeakPolarHBondContact O-CB 3.4Å; R469-Q473 PolarHBondContact O-N 3.02Å
470	K	62	Low	60.2	Low	156 Å²	156	132 Å²	132	68%	0.678	61%	0.611	S	S	*	*	H	α-helix	trans	-60.9	-38.5	176.4	-74.5	-175.7	176.4	-176.5	0	112.4	T466 Q467 Q473 K474	T466-K470 PolarHBondContact O-N 3.04Å; Q467-K470 PolarHBondContact O-N 2.62Å; K470-Q473 PolarHBondContact O-N 3.01Å; K470-K474 PolarHBondContact O-N 3.14Å; K470-K474 VanDerWaalsContact O-N 3.16Å
471	Q	66.4	Low	59.5	Low	131 Å²	131	130.7 Å²	130.7	61%	0.612	62%	0.615	S	S	*	*	H	α-helix	trans	-67.2	-46.4	178.1	-163.8	172.3	14.3	0	0	111.9	Q467 R468 R469 Q473 K474 Q475	Q467-Q471 PolarHBondContact O-N 3.14Å; R468-Q471 PolarHBondContact O-N 3.48Å; R469-Q471 VanDerWaalsContact C-N 3.31Å; R469-Q471 PolarHBondContact O-N 2.89Å; Q471-Q473 VanDerWaalsContact C-N 3.29Å; Q471-Q473 PolarHBondContact O-N 3.19Å; Q471-K474 PolarHBondContact O-N 3.02Å; Q471-Q475 PolarHBondContact O-N 3.27Å
472	K	62	Low	58.8	Low	152 Å²	152	124.9 Å²	124.9	66%	0.661	61%	0.61	S	S	*	*	H	α-helix	trans	-64.7	-32.6	177.3	-153.2	174.7	-171.1	-178.7	0	112.5	R468 R469 Q475 T476	R468-K472 PolarHBondContact O-N 2.93Å; R469-K472 PolarHBondContact O-N 2.85Å; K472-Q475 PolarHBondContact O-N 3.01Å; K472-T476 PolarHBondContact O-N 3.26Å; K472-T476 PolarHBondContact O-OG1 2.75Å
473	Q	61.2	Low	58	Low	127 Å²	127	126 Å²	126	59%	0.593	62%	0.617	S	S	*	*	H	α-helix	trans	-70.8	-32.4	175.8	-169.6	174.2	6.2	0	0	113.3	R469 K470 Q471 T476 M477	R469-Q473 WeakPolarHBondContact O-CB 3.4Å; R469-Q473 PolarHBondContact O-N 3.02Å; K470-Q473 PolarHBondContact O-N 3.01Å; Q471-Q473 VanDerWaalsContact C-N 3.29Å; Q471-Q473 PolarHBondContact O-N 3.19Å; Q473-T476 PolarHBondContact O-OG1 3.33Å; Q473-M477 PolarHBondContact O-N 2.8Å
474	K	57	Low	56.9	Low	157 Å²	157	127.5 Å²	127.5	68%	0.683	63%	0.628	S	S	*	*	H	α-helix	trans	-66.7	-37.3	171	-80.7	-163.9	170.7	-165.5	0	112.2	K470 Q471 M477 H478	K470-K474 PolarHBondContact O-N 3.14Å; K470-K474 VanDerWaalsContact O-N 3.16Å; Q471-K474 PolarHBondContact O-N 3.02Å; K474-M477 PolarHBondContact O-N 3.38Å; K474-H478 PolarHBondContact O-CD2 3.23Å; K474-H478 PolarHBondContact O-N 2.78Å
475	Q	56.8	Low	55.9	Low	129 Å²	129	125.2 Å²	125.2	60%	0.603	63%	0.633	S	S	*	*	H	α-helix	trans	-64.2	-44.1	176.9	-70.4	177.9	-60	0	0	111.9	Q471 K472 M477 H478 Q479	Q471-Q475 PolarHBondContact O-N 3.27Å; K472-Q475 PolarHBondContact O-N 3.01Å; Q475-M477 PolarHBondContact O-N 3.34Å; Q475-H478 PolarHBondContact O-N 3.11Å; Q475-Q479 PolarHBondContact O-N 3.22Å
476	T	54.7	Low	54.4	Low	68 Å²	68	129.8 Å²	129.8	42%	0.417	65%	0.649	S	S	.	*	H	α-helix	trans	-67.4	-32	177.5	40.7	0	0	0	0	113.9	K472 Q473 Q479 M480	K472-T476 PolarHBondContact O-N 3.26Å; K472-T476 PolarHBondContact O-OG1 2.75Å; Q473-T476 PolarHBondContact O-OG1 3.33Å; T476-Q479 PolarHBondContact O-N 2.99Å; T476-M480 WeakPolarHBondContact O-CG 3.17Å; T476-M480 PolarHBondContact O-N 3.43Å
477	M	52.3	Low	53	Low	139 Å²	139	135.3 Å²	135.3	69%	0.685	67%	0.67	S	S	*	*	H	α-helix	trans	-64.6	-42.9	172.7	-81.5	-166.2	72.6	0	0	112.7	Q473 K474 Q475 Q479 M480 A481	Q473-M477 PolarHBondContact O-N 2.8Å; K474-M477 PolarHBondContact O-N 3.38Å; Q475-M477 PolarHBondContact O-N 3.34Å; M477-Q479 VanDerWaalsContact C-N 3.3Å; M477-Q479 PolarHBondContact O-N 2.96Å; M477-M480 PolarHBondContact O-N 3.45Å; M477-A481 PolarHBondContact O-N 3.43Å
478	H	51.1	Low	51.4	Low	150 Å²	150	139.9 Å²	139.9	69%	0.694	68%	0.683	S	S	*	*	H	α-helix	trans	-64.5	-36	174.9	-81.6	-67.4	0	0	0	112.3	K474 Q475 A481 A482	K474-H478 PolarHBondContact O-CD2 3.23Å; K474-H478 PolarHBondContact O-N 2.78Å; Q475-H478 PolarHBondContact O-N 3.11Å; H478-A481 PolarHBondContact O-N 3.49Å; H478-A482 PolarHBondContact O-N 2.95Å
479	Q	49.8	Very low	49.7	Very low	129 Å²	129	139.8 Å²	139.8	60%	0.603	68%	0.684	S	S	*	*	H	α-helix	trans	-69.2	-36.4	178.7	-161.9	168.4	13.8	0	0	112.6	Q475 T476 M477 A482	Q475-Q479 PolarHBondContact O-N 3.22Å; T476-Q479 PolarHBondContact O-N 2.99Å; M477-Q479 VanDerWaalsContact C-N 3.3Å; M477-Q479 PolarHBondContact O-N 2.96Å; Q479-A482 PolarHBondContact O-N 2.81Å
480	M	48.4	Very low	48.3	Very low	142 Å²	142	137.7 Å²	137.7	70%	0.7	69%	0.691	S	S	*	*	H	α-helix	trans	-68.2	-37.4	174.7	-73.9	177.1	169.9	0	0	112.9	T476 M477 A482 M483	T476-M480 WeakPolarHBondContact O-CG 3.17Å; T476-M480 PolarHBondContact O-N 3.43Å; M477-M480 PolarHBondContact O-N 3.45Å; M480-A482 PolarHBondContact O-N 2.76Å; M480-M483 PolarHBondContact O-N 3.17Å
481	A	46.5	Very low	46.6	Very low	72 Å²	72	136.9 Å²	136.9	60%	0.595	69%	0.694	S	S	*	*	H	α-helix	trans	-66.3	-19.8	177.8	0	0	0	0	0	113.8	M477 H478	M477-A481 PolarHBondContact O-N 3.43Å; H478-A481 PolarHBondContact O-N 3.49Å
482	A	46.8	Very low	44.8	Very low	79 Å²	79	139.5 Å²	139.5	65%	0.653	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-12.5	177.5	0	0	0	0	0	114	H478 Q479 M480	H478-A482 PolarHBondContact O-N 2.95Å; Q479-A482 PolarHBondContact O-N 2.81Å; M480-A482 PolarHBondContact O-N 2.76Å
483	M	46.4	Very low	43.1	Very low	158 Å²	158	141.8 Å²	141.8	78%	0.778	71%	0.71	S	S	*	*	S	Bend	trans	-99.4	-5.2	-173.1	-69	-176.1	71.4	0	0	114.6	M480	M480-M483 PolarHBondContact O-N 3.17Å
484	S	41.8	Very low	42	Very low	104 Å²	104	140 Å²	140	73%	0.727	71%	0.709	S	S	*	*	S	Bend	trans	-97.2	23.2	-175.7	64.8	0	0	0	0	114.2
485	A	42.6	Very low	40.6	Very low	80 Å²	80	140.3 Å²	140.3	66%	0.661	72%	0.718	S	S	*	*			trans	-138	49.3	-168.9	0	0	0	0	0	113.3
486	Q	34.3	Very low	39.4	Very low	176 Å²	176	142 Å²	142	82%	0.822	73%	0.726	S	S	*	*			trans	-153.1	100.1	168.5	-116.1	161	-14.6	0	0	111.2
487	E	35.6	Very low	38.5	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	74%	0.739	S	S	*	*			trans	-78.6	142	164.4	-61.8	177.3	119.4	0	0	109.2
488	Y	33.9	Very low	37.6	Very low	215 Å²	215	146.9 Å²	146.9	84%	0.843	75%	0.745	S	S	*	*			trans	-143.9	136.5	164	-106.1	-81.4	0	0	0	111.6
489	Y	30.2	Very low	36.5	Very low	199 Å²	199	143.5 Å²	143.5	78%	0.78	75%	0.751	S	S	*	*			trans	-105.9	137.2	-175.9	178.8	-81.8	0	0	0	109.5	D491	Y489-D491 HydrophobicContact CE1-CB 4.3Å
490	V	33.7	Very low	35.6	Very low	138 Å²	138	142.2 Å²	142.2	84%	0.836	76%	0.763	S	S	*	*			trans	-139.7	132.1	175.2	-173.5	0	0	0	0	109.8
491	D	27.6	Very low	34.6	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	77%	0.765	S	S	*	*			trans	-102.3	162.6	-179	-168.1	9.8	0	0	0	111.1	Y489	Y489-D491 HydrophobicContact CE1-CB 4.3Å
492	Y	27.2	Very low	33.8	Very low	187 Å²	187	145.6 Å²	145.6	73%	0.733	78%	0.778	S	S	*	*			trans	-124.7	134	-165.6	-171.8	-91.9	0	0	0	114.5	P494	Y492-P494 HydrophobicContact CE1-CB 4.03Å; Y492-P494 HydrophobicContact CE1-CG 4.01Å
493	K	26.8	Very low	33	Very low	199 Å²	199	148 Å²	148	87%	0.865	78%	0.778	S	S	*	*			trans	-145	126.9	169.2	-101.2	-179.1	177.4	174.7	0	111.9
494	P	38.2	Very low	32.3	Very low	89 Å²	89	148.2 Å²	148.2	58%	0.578	78%	0.781	S	S	*	*			trans	-101.3	166.3	174.7	38.6	-33.4	0	0	0	113	Y492	Y492-P494 HydrophobicContact CE1-CB 4.03Å; Y492-P494 HydrophobicContact CE1-CG 4.01Å
495	N	27.7	Very low	31.6	Very low	165 Å²	165	148.5 Å²	148.5	88%	0.882	77%	0.774	S	S	*	*			trans	-157.7	156.2	155.2	-113.7	-17.5	0	0	0	113.5
496	H	32.5	Very low	31	Very low	165 Å²	165	151.1 Å²	151.1	76%	0.764	77%	0.773	S	S	*	*			trans	-67.7	177.4	179.9	-90.2	-116.8	0	0	0	113.9
497	I	35.1	Very low	30.8	Very low	132 Å²	132	153 Å²	153	68%	0.677	77%	0.774	S	S	*	*			cis	-159.9	150.9	30.2	-140.9	142.2	0	0	0	114.4
498	E	32.8	Very low	30.6	Very low	176 Å²	176	148 Å²	148	82%	0.822	77%	0.774	S	S	*	*			trans	32.1	148.3	146.6	-62.9	170.6	177.4	0	0	126.2
499	G	29.2	Very low	30.2	Very low	80 Å²	80	143.2 Å²	143.2	83%	0.825	77%	0.771	S	S	*	*			trans	175.5	122.7	162.3	0	0	0	0	0	115.1
500	A	29.8	Very low	30	Very low	102 Å²	102	140.1 Å²	140.1	84%	0.843	78%	0.777	S	S	*	*			trans	-66.1	153	-172.1	0	0	0	0	0	115.6
501	L	27.8	Very low	29.8	Very low	142 Å²	142	139.5 Å²	139.5	74%	0.743	77%	0.774	S	S	*	*			cis	99.9	103.1	30.8	-147.3	-177	0	0	0	113.9	I503	L501-I503 HydrophobicContact CD2-CD1 3.84Å; L501-I503 HydrophobicContact CD2-CG1 3.94Å
502	V	29.4	Very low	29.8	Very low	143 Å²	143	139.1 Å²	139.1	87%	0.867	78%	0.781	S	S	*	*			trans	-142.7	138.9	160	179.4	0	0	0	0	108.6
503	I	30.1	Very low	29.9	Very low	129 Å²	129	138.4 Å²	138.4	66%	0.662	78%	0.784	S	S	*	*			trans	-137	139.5	-177.3	-66	169.7	0	0	0	110.2	L501	L501-I503 HydrophobicContact CD2-CD1 3.84Å; L501-I503 HydrophobicContact CD2-CG1 3.94Å
504	I	31.2	Very low	30.1	Very low	162 Å²	162	137.9 Å²	137.9	83%	0.831	78%	0.784	S	S	*	*			trans	-137	115.1	152	-57.9	-177.3	0	0	0	109.3
505	N	27.8	Very low	29.7	Very low	111 Å²	111	142.2 Å²	142.2	59%	0.594	80%	0.797	S	S	*	*			trans	5.5	147.7	150	-68	33.6	0	0	0	120.6
506	E	29.6	Very low	30.2	Very low	135 Å²	135	140.4 Å²	140.4	63%	0.631	79%	0.794	S	S	*	*			cis	-165.6	179.5	3	-124.2	166.8	153.4	0	0	114.6
507	Y	30.7	Very low	30.3	Very low	216 Å²	216	137.2 Å²	137.2	85%	0.847	80%	0.797	S	S	*	*			trans	76.9	122.1	165.7	-63	-67.1	0	0	0	120.7
508	G	30.4	Very low	30.2	Very low	86 Å²	86	142.3 Å²	142.3	89%	0.887	81%	0.807	S	S	*	*			trans	122.1	55.1	143.4	0	0	0	0	0	118.4
509	S	26.8	Very low	30.2	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	81%	0.805	S	S	*	*			trans	-103.5	137.7	173.3	57.9	0	0	0	0	113.6
510	C	26.1	Very low	30.2	Very low	135 Å²	135	143.2 Å²	143.2	91%	0.912	80%	0.801	S	S	*	*			trans	-137.7	116.4	158.8	-80.1	0	0	0	0	108.5
511	T	29	Very low	30.3	Very low	125 Å²	125	147.2 Å²	147.2	77%	0.767	80%	0.802	S	S	*	*			trans	-89.3	146.9	176	44.6	0	0	0	0	110.7
512	C	26.7	Very low	30.7	Very low	129 Å²	129	150.6 Å²	150.6	87%	0.872	83%	0.828	S	S	*	*			trans	-117.5	106	172.4	-165.2	0	0	0	0	108.6
513	H	29.9	Very low	30.8	Very low	172 Å²	172	151 Å²	151	80%	0.796	83%	0.826	S	S	*	*			trans	-78.9	124.5	174.8	-90.5	-83.5	0	0	0	110.3
514	Q	30.4	Very low	30.8	Very low	188 Å²	188	152.2 Å²	152.2	88%	0.879	84%	0.835	S	S	*	*			trans	-90.2	129.4	172.8	-168.5	173.7	12	0	0	109.6
515	Q	30.8	Very low	30.8	Very low	180 Å²	180	151.6 Å²	151.6	84%	0.841	84%	0.835	S	S	*	*			trans	-127.6	156.7	169.4	-86.9	-163.1	-8.8	0	0	110.8
516	P	37.7	Very low	31	Very low	127 Å²	127	154 Å²	154	83%	0.825	85%	0.849	S	S	*	*			trans	-84.8	164.8	-161.3	33.8	-36.9	0	0	0	114.3
517	A	35.9	Very low	31.1	Very low	99 Å²	99	155.2 Å²	155.2	82%	0.818	86%	0.863	S	S	*	*			trans	-75.1	157.8	-179	0	0	0	0	0	113.9
518	R	31.8	Very low	31.1	Very low	238 Å²	238	151.1 Å²	151.1	90%	0.898	86%	0.864	S	S	*	*			trans	-147.9	167	154.6	-116	178.3	-177.2	180	1.7	111.4
519	E	33.1	Very low	31.1	Very low	168 Å²	168	155.8 Å²	155.8	79%	0.785	86%	0.862	S	S	*	*			trans	-96.4	-177.2	-152.4	-60.9	140.9	117.5	0	0	115.5
520	C	29.2	Very low	31.5	Very low	108 Å²	108	159.1 Å²	159.1	73%	0.73	87%	0.868	S	S	*	*			trans	90.9	122.2	157.6	-59.8	0	0	0	0	119.8
521	E	31.3	Very low	31.9	Very low	185 Å²	185	161.1 Å²	161.1	86%	0.864	86%	0.864	S	S	*	*			trans	53.1	139	132.8	-57.1	178.4	161	0	0	119.3
522	V	37	Very low	32.2	Very low	214 Å²	214	164.4 Å²	164.4	100%	1.297	87%	0.873	S	S	*	*			cis	-126.5	0	24.3	178.1	0	0	0	0	112

Retrieved 522 of 522 residues in 98.1 ms (Link to these results)

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