A0A087XLS0_POEFO Loading...

Leucine rich repeats and transmembrane domains 2

AlphaFold DB , UniProt , Accession A0A087XLS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 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	30.2	Very low	42.3	Very low	241 Å²	241	138.5 Å²	138.5	100%	1.187	82%	0.818	S	S	*	*				0	142.7	0	-70.4	175.7	172.3	0	0	107.7
2	P	50.7	Low	42.1	Very low	120 Å²	120	133.6 Å²	133.6	78%	0.779	82%	0.818	S	S	*	*			cis	-129	-161.4	-46.5	40.7	-23.7	0	0	0	108.7
3	P	54.1	Low	41.8	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	82%	0.822	S	S	*	*			cis	-126.3	159.4	-12.8	21.5	2.1	0	0	0	115.8
4	Y	37.6	Very low	41.8	Very low	209 Å²	209	134.7 Å²	134.7	82%	0.82	82%	0.818	S	S	*	*			trans	-60.5	138.6	157.6	-106.8	-107.3	0	0	0	112.4
5	I	43	Very low	41.8	Very low	162 Å²	162	132.7 Å²	132.7	83%	0.831	81%	0.812	S	S	*	*			trans	-140.4	134.8	155.2	-58.4	-179.4	0	0	0	108.2
6	H	38.5	Very low	42.1	Very low	155 Å²	155	131.9 Å²	131.9	72%	0.718	81%	0.807	S	S	*	*			trans	-132.8	168.1	176.9	-121.8	-43.1	0	0	0	107.7
7	P	53.4	Low	42.5	Very low	105 Å²	105	125.9 Å²	125.9	68%	0.682	78%	0.778	S	S	*	*				-110.9	-167.5	-86.7	35.6	-17.5	0	0	0	112.5
8	P	43.1	Very low	42.7	Very low	129 Å²	129	123.1 Å²	123.1	84%	0.838	77%	0.769	S	S	*	*				-140.9	165.2	110.6	34.2	-17.8	0	0	0	114.3
9	G	39.4	Very low	42.9	Very low	86 Å²	86	121.8 Å²	121.8	89%	0.887	76%	0.761	S	S	*	*			trans	-70.1	164.7	-170.1	0	0	0	0	0	116.5
10	G	35.8	Very low	43.3	Very low	66 Å²	66	121 Å²	121	68%	0.68	75%	0.75	S	S	*	*			trans	-171.7	98	175	0	0	0	0	0	111.9
11	T	39.1	Very low	43.4	Very low	136 Å²	136	121.6 Å²	121.6	83%	0.834	74%	0.742	S	S	*	*			trans	51.4	112.9	140.2	59.1	0	0	0	0	119.4
12	G	40	Very low	44.4	Very low	80 Å²	80	116.1 Å²	116.1	83%	0.825	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60	138.9	162.3	0	0	0	0	0	112.3
13	L	38.7	Very low	44.7	Very low	166 Å²	166	114.3 Å²	114.3	87%	0.869	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-89	137.1	159.5	-93.5	90.7	0	0	0	109.4
14	P	42	Very low	44.9	Very low	117 Å²	117	117.5 Å²	117.5	76%	0.76	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-78.2	151.8	-176.1	31.9	-33.1	0	0	0	112.2
15	S	40.9	Very low	46.1	Very low	104 Å²	104	113.5 Å²	113.5	73%	0.727	69%	0.689	S	S	*	*			trans	-39.6	127.1	171.6	56.8	0	0	0	0	114.6	G17	S15-G17 PolarHBondContact O-N 3.43Å
16	T	46.8	Very low	47.4	Very low	121 Å²	121	109.5 Å²	109.5	74%	0.742	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	45	158.7	44	0	0	0	0	111.8
17	G	49	Very low	48.7	Very low	29 Å²	29	110 Å²	110	30%	0.299	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	-28.9	177.5	0	0	0	0	0	113.3	S15 F21	S15-G17 PolarHBondContact O-N 3.43Å; G17-F21 WeakPolarHBondContact O-CD2 3.34Å
18	A	46.7	Very low	49.5	Very low	76 Å²	76	108 Å²	108	63%	0.628	66%	0.66	S	S	*	*	H	α-helix	trans	-74.5	-30.9	-170.2	0	0	0	0	0	114.4	L22	A18-L22 PolarHBondContact O-N 2.8Å
19	T	45.3	Very low	50.9	Low	99 Å²	99	106.1 Å²	106.1	61%	0.607	65%	0.646	S	S	*	*	H	α-helix	trans	-77.3	-25.8	-178.1	34.3	0	0	0	0	113.7	T23	T19-T23 WeakPolarHBondContact O-CG2 3.15Å; T19-T23 PolarHBondContact O-OG1 2.96Å
20	I	51.5	Low	52.2	Low	105 Å²	105	107 Å²	107	54%	0.538	63%	0.63	S	S	.	*	H	α-helix	trans	-83.2	-30.5	178.8	-58.5	172.1	0	0	0	111.3	T23 R24	I20-T23 WeakPolarHBondContact CA-OG1 3.27Å; I20-T23 PolarHBondContact O-OG1 3.32Å; I20-R24 PolarHBondContact O-N 3.34Å
21	F	46.4	Very low	53.6	Low	134 Å²	134	106.7 Å²	106.7	59%	0.588	62%	0.618	S	S	*	*	H	α-helix	trans	-75.2	-38.5	176.5	-88.4	-89.7	0	0	0	112.7	G17 T23 R24 H25	G17-F21 WeakPolarHBondContact O-CD2 3.34Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 3.27Å; F21-R24 PolarHBondContact O-N 3.4Å; F21-H25 PolarHBondContact O-CD2 3.39Å; F21-H25 VanDerWaalsContact O-CD2 3.24Å; F21-H25 PolarHBondContact O-N 3.06Å; F21-H25 VanDerWaalsContact O-N 3.09Å
22	L	50.7	Low	54.9	Low	125 Å²	125	105 Å²	105	65%	0.654	60%	0.603	S	S	*	*	H	α-helix	trans	-63	-41.1	176.1	-121.5	77.9	0	0	0	111.5	A18 H25 V26	A18-L22 PolarHBondContact O-N 2.8Å; L22-H25 PolarHBondContact O-N 3.15Å; L22-V26 WeakPolarHBondContact O-CB 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 2.77Å
23	T	58	Low	56	Low	82 Å²	82	105.6 Å²	105.6	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-67.6	-37.6	179.5	44.2	0	0	0	0	112.5	T19 I20 F21 F27	T19-T23 WeakPolarHBondContact O-CG2 3.15Å; T19-T23 PolarHBondContact O-OG1 2.96Å; I20-T23 WeakPolarHBondContact CA-OG1 3.27Å; I20-T23 PolarHBondContact O-OG1 3.32Å; F21-T23 VanDerWaalsContact C-N 3.33Å; F21-T23 PolarHBondContact O-N 3.27Å; T23-F27 WeakPolarHBondContact O-CB 3.42Å; T23-F27 PolarHBondContact O-N 3.13Å
24	R	58.1	Low	56.9	Low	182 Å²	182	99.6 Å²	99.6	69%	0.687	56%	0.561	S	S	*	*	H	α-helix	trans	-68.3	-41.6	174.7	-76.4	178.4	72	166.7	1.8	113.1	I20 F21 C28	I20-R24 PolarHBondContact O-N 3.34Å; F21-R24 PolarHBondContact O-N 3.4Å; R24-C28 VanDerWaalsContact O-CB 3.24Å; R24-C28 WeakPolarHBondContact O-CB 3Å; R24-C28 PolarHBondContact O-N 2.81Å
25	H	62.9	Low	57.7	Low	124 Å²	124	101.3 Å²	101.3	57%	0.574	56%	0.561	S	S	*	*	H	α-helix	trans	-69.5	-39.7	176.2	-76.4	-59.5	0	0	0	111.8	F21 L22 C28 V29	F21-H25 PolarHBondContact O-CD2 3.39Å; F21-H25 VanDerWaalsContact O-CD2 3.24Å; F21-H25 PolarHBondContact O-N 3.06Å; F21-H25 VanDerWaalsContact O-N 3.09Å; L22-H25 PolarHBondContact O-N 3.15Å; H25-C28 PolarHBondContact O-N 2.98Å; H25-V29 WeakPolarHBondContact O-CB 3.1Å; H25-V29 WeakPolarHBondContact O-CG2 3.48Å; H25-V29 PolarHBondContact O-N 3.15Å
26	V	68.8	Low	58.5	Low	78 Å²	78	103 Å²	103	47%	0.473	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-42.7	174.9	170.3	0	0	0	0	110.8	L22 V29 L30	L22-V26 WeakPolarHBondContact O-CB 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 2.77Å; V26-V29 PolarHBondContact O-N 3.13Å; V26-L30 HydrophobicContact CG1-CD1 3.64Å; V26-L30 VanDerWaalsContact O-CB 3.27Å; V26-L30 WeakPolarHBondContact O-CB 3.39Å; V26-L30 WeakPolarHBondContact O-CD1 3.02Å; V26-L30 PolarHBondContact O-N 2.79Å
27	F	67	Low	58.6	Low	165 Å²	165	103.1 Å²	103.1	72%	0.724	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-41.2	173.1	-119.1	-91.4	0	0	0	112.6	T23 L30 S31	T23-F27 WeakPolarHBondContact O-CB 3.42Å; T23-F27 PolarHBondContact O-N 3.13Å; F27-L30 PolarHBondContact O-N 2.03Å; F27-S31 VanDerWaalsContact O-CB 3.3Å; F27-S31 WeakPolarHBondContact O-CB 3.49Å; F27-S31 PolarHBondContact O-N 3.35Å; F27-S31 PolarHBondContact O-OG 3.35Å
28	C	68.8	Low	58.6	Low	63 Å²	63	109 Å²	109	43%	0.426	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-44.7	178.9	-160.8	0	0	0	0	110.7	R24 H25 S31 L32	R24-C28 VanDerWaalsContact O-CB 3.24Å; R24-C28 WeakPolarHBondContact O-CB 3Å; R24-C28 PolarHBondContact O-N 2.81Å; H25-C28 PolarHBondContact O-N 2.98Å; C28-S31 PolarHBondContact O-N 2.76Å; C28-S31 PolarHBondContact O-OG 2.98Å; C28-L32 WeakPolarHBondContact O-CB 3.36Å; C28-L32 PolarHBondContact O-N 3.27Å
29	V	72.3	Confident	58.7	Low	90 Å²	90	110.6 Å²	110.6	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-67.5	-40.3	176.2	175.3	0	0	0	0	111.1	H25 V26 S31 L32 L33	H25-V29 WeakPolarHBondContact O-CB 3.1Å; H25-V29 WeakPolarHBondContact O-CG2 3.48Å; H25-V29 PolarHBondContact O-N 3.15Å; V26-V29 PolarHBondContact O-N 3.13Å; V29-S31 VanDerWaalsContact C-N 3.34Å; V29-S31 PolarHBondContact O-N 3.1Å; V29-L32 PolarHBondContact O-N 3.24Å; V29-L33 WeakPolarHBondContact O-CB 3.43Å; V29-L33 PolarHBondContact O-N 3.04Å
30	L	68.3	Low	59	Low	106 Å²	106	109.9 Å²	109.9	56%	0.555	58%	0.582	S	S	*	*	H	α-helix	trans	-64.4	-35.8	172.1	-93.8	144.7	0	0	0	112.2	V26 F27 A34	V26-L30 HydrophobicContact CG1-CD1 3.64Å; V26-L30 VanDerWaalsContact O-CB 3.27Å; V26-L30 WeakPolarHBondContact O-CB 3.39Å; V26-L30 WeakPolarHBondContact O-CD1 3.02Å; V26-L30 PolarHBondContact O-N 2.79Å; F27-L30 PolarHBondContact O-N 2.03Å; L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 3.24Å
31	S	64.5	Low	59.5	Low	59 Å²	59	109.2 Å²	109.2	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-70.7	-40.8	174.7	78.9	0	0	0	0	112	F27 C28 V29 A34 M35	F27-S31 VanDerWaalsContact O-CB 3.3Å; F27-S31 WeakPolarHBondContact O-CB 3.49Å; F27-S31 PolarHBondContact O-N 3.35Å; F27-S31 PolarHBondContact O-OG 3.35Å; C28-S31 PolarHBondContact O-N 2.76Å; C28-S31 PolarHBondContact O-OG 2.98Å; V29-S31 VanDerWaalsContact C-N 3.34Å; V29-S31 PolarHBondContact O-N 3.1Å; S31-A34 PolarHBondContact O-N 2.65Å; S31-M35 WeakPolarHBondContact O-CG 3.36Å; S31-M35 PolarHBondContact O-N 3.08Å
32	L	66.5	Low	60.7	Low	101 Å²	101	105.3 Å²	105.3	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-39.6	174.5	-91.2	148.7	0	0	0	111.5	C28 V29 M35 L36	C28-L32 WeakPolarHBondContact O-CB 3.36Å; C28-L32 PolarHBondContact O-N 3.27Å; V29-L32 PolarHBondContact O-N 3.24Å; L32-M35 PolarHBondContact O-N 3.28Å; L32-L36 WeakPolarHBondContact O-CD1 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.07Å
33	L	62.3	Low	62.4	Low	92 Å²	92	101.2 Å²	101.2	48%	0.482	56%	0.557	S	S	.	*	H	α-helix	trans	-71.2	-35.4	176	-157	82	0	0	0	111.2	V29 L36 L37	V29-L33 WeakPolarHBondContact O-CB 3.43Å; V29-L33 PolarHBondContact O-N 3.04Å; L33-L36 CarbonylContact O-C 3.16Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-L37 HydrophobicContact CD2-CD1 4.34Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 WeakPolarHBondContact O-CB 3.15Å; L33-L37 WeakPolarHBondContact O-CD1 3.46Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 3.26Å
34	A	59.2	Low	63.9	Low	40 Å²	40	97.3 Å²	97.3	33%	0.331	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-40.8	171	0	0	0	0	0	111.3	L30 S31 L36 L37 F38	L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 3.24Å; S31-A34 PolarHBondContact O-N 2.65Å; A34-L36 PolarHBondContact O-N 3.17Å; A34-L37 PolarHBondContact O-N 2.83Å; A34-L37 VanDerWaalsContact O-N 3.11Å; A34-F38 WeakPolarHBondContact O-CD2 3.08Å; A34-F38 WeakPolarHBondContact O-CE2 3.27Å; A34-F38 PolarHBondContact O-N 2.93Å
35	M	58.1	Low	65.3	Low	153 Å²	153	94.3 Å²	94.3	75%	0.754	54%	0.538	S	S	*	.	H	α-helix	trans	-65.3	-24	172.4	-67.1	-70.8	-77.1	0	0	113.1	S31 L32	S31-M35 WeakPolarHBondContact O-CG 3.36Å; S31-M35 PolarHBondContact O-N 3.08Å; L32-M35 PolarHBondContact O-N 3.28Å
36	L	57.8	Low	66.6	Low	138 Å²	138	90.3 Å²	90.3	72%	0.723	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.8	174	-71.3	162.2	0	0	0	113.4	L32 L33 A34	L32-L36 WeakPolarHBondContact O-CD1 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.07Å; L33-L36 CarbonylContact O-C 3.16Å; L33-L36 PolarHBondContact O-N 3.43Å; A34-L36 PolarHBondContact O-N 3.17Å
37	L	49.3	Very low	67.8	Low	125 Å²	125	87 Å²	87	65%	0.654	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.5	-177.1	-82.2	162.8	0	0	0	113.9	L33 A34 P39	L33-L37 HydrophobicContact CD2-CD1 4.34Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 WeakPolarHBondContact O-CB 3.15Å; L33-L37 WeakPolarHBondContact O-CD1 3.46Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 3.26Å; A34-L37 PolarHBondContact O-N 2.83Å; A34-L37 VanDerWaalsContact O-N 3.11Å; L37-P39 WeakPolarHBondContact O-CD 3.36Å
38	F	47.8	Very low	69.1	Low	151 Å²	151	84.2 Å²	84.2	66%	0.662	50%	0.495	S	S	*	.	S	Bend	trans	-88	116.8	167.1	-71	-76	0	0	0	108.8	A34 A40	A34-F38 WeakPolarHBondContact O-CD2 3.08Å; A34-F38 WeakPolarHBondContact O-CE2 3.27Å; A34-F38 PolarHBondContact O-N 2.93Å; F38-A40 PolarHBondContact O-N 2.99Å
39	P	48.1	Very low	70.2	Confident	110 Å²	110	83.1 Å²	83.1	71%	0.714	49%	0.488	S	S	*	.			trans	-58.2	118.5	156.7	26.5	-28.5	0	0	0	105.1	L37 S41	L37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-S41 PolarHBondContact O-N 2.83Å
40	A	53.3	Low	71.1	Confident	85 Å²	85	81.1 Å²	81.1	70%	0.702	48%	0.478	S	S	*	.			trans	-68.7	67.9	175.6	0	0	0	0	0	109.1	F38 S42	F38-A40 PolarHBondContact O-N 2.99Å; A40-S42 PolarHBondContact O-N 2.93Å; A40-S42 PolarHBondContact O-OG 3.43Å
41	S	62.3	Low	71.8	Confident	91 Å²	91	80.8 Å²	80.8	64%	0.636	48%	0.484	S	S	*	.			trans	-75.4	71.7	162.9	56.7	0	0	0	0	106.3	P39 C43	P39-S41 PolarHBondContact O-N 2.83Å; S41-C43 PolarHBondContact O-N 2.95Å
42	S	70.4	Confident	72.7	Confident	52 Å²	52	84.9 Å²	84.9	36%	0.364	50%	0.502	S	S	.	.			trans	-77.6	68.3	-170.4	-56.9	0	0	0	0	109.7	A40 L71	A40-S42 PolarHBondContact O-N 2.93Å; A40-S42 PolarHBondContact O-OG 3.43Å; S42-L71 CarbonylContact C-O 3.52Å; S42-L71 CarbonylContact O-C 3.29Å; S42-L71 VanDerWaalsContact O-CB 3.28Å; S42-L71 WeakPolarHBondContact O-CB 3.49Å
43	C	87.3	Confident	73.7	Confident	38 Å²	38	84.2 Å²	84.2	26%	0.257	50%	0.502	S	S	.	.			trans	-54.4	133.4	173.3	-168	0	0	0	0	110	S41 C47 C49	S41-C43 PolarHBondContact O-N 2.95Å; C43-C47 PolarHBondContact SG-O 3.26Å; C43-C47 VanDerWaalsContact SG-O 3.39Å; C43-C49 WeakPolarHBondContact CA-SG 3.33Å; C43-C49 HydrophobicContact CB-CB 3.64Å; C43-C49 WeakPolarHBondContact CB-SG 3.38Å; C43-C49 WeakPolarHBondContact SG-CB 3.01Å; C43-C49 PolarHBondContact SG-N 2.02Å; C43-C49 CovalentContact SG-SG 2.03Å; C43-C49 PolarHBondContact SG-SG 3.24Å
44	P	88.9	Confident	75.2	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.006	49%	0.492	C	S	.	.			trans	-53.4	134.2	174.6	-22.8	30.2	0	0	0	109.9	P46 C47 P67 L71 L72	P44-P46 VanDerWaalsContact C-N 3.3Å; P44-P46 VanDerWaalsContact O-N 3.13Å; P44-C47 HydrophobicContact CB-CB 4.18Å; P44-C47 HydrophobicContact CG-CB 4.46Å; P44-C47 WeakPolarHBondContact O-CA 3.3Å; P44-C47 WeakPolarHBondContact O-CB 3.45Å; P44-C47 PolarHBondContact O-N 3.38Å; P44-P67 HydrophobicContact CB-CB 3.87Å; P44-P67 HydrophobicContact CG-CB 4.44Å; P44-L71 HydrophobicContact CG-CB 4.21Å; P44-L72 HydrophobicContact CG-CD2 4.29Å
45	P	87.4	Confident	76.9	Confident	119 Å²	119	82.3 Å²	82.3	77%	0.773	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.9	-176.3	-26.1	33	0	0	0	115.6	C47	P45-C47 PolarHBondContact O-N 2.85Å
46	P	90.8	Very high	78.6	Confident	40 Å²	40	75.1 Å²	75.1	26%	0.26	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	8.3	177.6	34.9	-36.7	0	0	0	113.2	P44 R61 L63 P67	P44-P46 VanDerWaalsContact C-N 3.3Å; P44-P46 VanDerWaalsContact O-N 3.13Å; P46-R61 VanDerWaalsContact O-CG 3.31Å; P46-R61 WeakPolarHBondContact O-CG 3.49Å; P46-R61 PolarHBondContact O-NH1 3.44Å; P46-L63 HydrophobicContact CB-CD2 3.87Å; P46-L63 HydrophobicContact CG-CD2 4.2Å; P46-P67 HydrophobicContact CG-CB 3.96Å
47	C	93.9	Very high	80.5	Confident	8 Å²	8	71.3 Å²	71.3	5%	0.054	43%	0.432	C	S	.	.	S	Bend	trans	-123.4	159.5	-175	-55.2	0	0	0	0	111.8	C43 P44 P45 V56 D57 C58	C43-C47 PolarHBondContact SG-O 3.26Å; C43-C47 VanDerWaalsContact SG-O 3.39Å; P44-C47 HydrophobicContact CB-CB 4.18Å; P44-C47 HydrophobicContact CG-CB 4.46Å; P44-C47 WeakPolarHBondContact O-CA 3.3Å; P44-C47 WeakPolarHBondContact O-CB 3.45Å; P44-C47 PolarHBondContact O-N 3.38Å; P45-C47 PolarHBondContact O-N 2.85Å; C47-V56 HydrophobicContact CB-CG1 4Å; C47-D57 CarbonylContact C-O 3.57Å; C47-D57 VanDerWaalsContact CA-O 3.3Å; C47-D57 WeakPolarHBondContact CA-O 3.1Å; C47-C58 HydrophobicContact CB-CB 4.08Å; C47-C58 WeakPolarHBondContact CB-SG 3.03Å; C47-C58 WeakPolarHBondContact SG-CB 3.42Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 2.83Å
48	L	93.3	Very high	82.7	Confident	107 Å²	107	65.3 Å²	65.3	56%	0.56	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.7	171.5	-65	171.6	0	0	0	108.3	V56 D57	L48-V56 WeakPolarHBondContact O-CA 3.48Å; L48-D57 HydrophobicContact CB-CB 4.49Å; L48-D57 PolarHBondContact N-O 2.89Å; L48-D57 PolarHBondContact O-N 3.21Å
49	C	92.9	Very high	85	Confident	40 Å²	40	58.7 Å²	58.7	27%	0.27	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.9	-179.5	-57.1	0	0	0	0	109.6	C43 V56 P73	C43-C49 WeakPolarHBondContact CA-SG 3.33Å; C43-C49 HydrophobicContact CB-CB 3.64Å; C43-C49 WeakPolarHBondContact CB-SG 3.38Å; C43-C49 WeakPolarHBondContact SG-CB 3.01Å; C43-C49 PolarHBondContact SG-N 2.02Å; C43-C49 CovalentContact SG-SG 2.03Å; C43-C49 PolarHBondContact SG-SG 3.24Å; C49-V56 HydrophobicContact CB-CG2 4.41Å; C49-P73 HydrophobicContact CB-CG 3.88Å
50	S	90.1	Very high	87.3	Confident	48 Å²	48	60.7 Å²	60.7	34%	0.336	38%	0.375	S	S	.	.			trans	-101.3	123.3	174.6	178.8	0	0	0	0	110.1	D52 T53 L54 V55	S50-D52 VanDerWaalsContact C-N 3.31Å; S50-T53 WeakPolarHBondContact CB-OG1 3.34Å; S50-T53 PolarHBondContact OG-N 3.44Å; S50-T53 PolarHBondContact OG-OG1 3.24Å; S50-L54 WeakPolarHBondContact O-CA 3.37Å; S50-L54 PolarHBondContact O-N 3.14Å; S50-L54 VanDerWaalsContact O-N 3.16Å; S50-V55 PolarHBondContact N-O 2.94Å
51	S	82.9	Confident	89.3	Confident	98 Å²	98	61.1 Å²	61.1	69%	0.685	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.6	176.6	51.3	0	0	0	0	113.1
52	D	84.5	Confident	90.9	Very high	146 Å²	146	58.6 Å²	58.6	78%	0.781	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-38.6	-170.1	-56.5	-19.9	0	0	0	111.5	S50	S50-D52 VanDerWaalsContact C-N 3.31Å
53	T	87.9	Confident	92.1	Very high	86 Å²	86	57.5 Å²	57.5	53%	0.528	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-11.6	-178.7	61.6	0	0	0	0	113	S50 V55	S50-T53 WeakPolarHBondContact CB-OG1 3.34Å; S50-T53 PolarHBondContact OG-N 3.44Å; S50-T53 PolarHBondContact OG-OG1 3.24Å; T53-V55 PolarHBondContact O-N 3Å; T53-V55 WeakPolarHBondContact OG1-CG2 3.47Å
54	L	92.2	Very high	92.5	Very high	53 Å²	53	60 Å²	60	28%	0.277	35%	0.354	S	S	.	.			trans	58.7	25.9	-176.1	-52.8	171.4	0	0	0	113.1	S50 R77 S78	S50-L54 WeakPolarHBondContact O-CA 3.37Å; S50-L54 PolarHBondContact O-N 3.14Å; S50-L54 VanDerWaalsContact O-N 3.16Å; L54-R77 HydrophobicContact CB-CB 4.24Å; L54-R77 HydrophobicContact CB-CG 4.06Å; L54-R77 HydrophobicContact CD1-CG 3.96Å; L54-R77 PolarHBondContact O-N 2.9Å; L54-S78 PolarHBondContact O-N 2.83Å
55	V	95.2	Very high	92.8	Very high	40 Å²	40	63.7 Å²	63.7	24%	0.242	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.8	177.2	-179.5	0	0	0	0	109.5	S50 T53 L80	S50-V55 PolarHBondContact N-O 2.94Å; T53-V55 PolarHBondContact O-N 3Å; T53-V55 WeakPolarHBondContact OG1-CG2 3.47Å; V55-L80 HydrophobicContact CG1-CD1 3.96Å; V55-L80 HydrophobicContact CG1-CG 4.26Å
56	V	95.4	Very high	93.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.7	169.9	-177.5	0	0	0	0	108.9	C47 L48 C49 L72 P73 S78 L79 L80	C47-V56 HydrophobicContact CB-CG1 4Å; L48-V56 WeakPolarHBondContact O-CA 3.48Å; C49-V56 HydrophobicContact CB-CG2 4.41Å; V56-L72 HydrophobicContact CB-CD2 4.05Å; V56-L72 HydrophobicContact CG1-CD2 3.63Å; V56-L72 HydrophobicContact CG2-CD2 3.92Å; V56-P73 HydrophobicContact CG2-CG 4.43Å; V56-S78 PolarHBondContact N-O 3.48Å; V56-L79 HydrophobicContact CB-CD1 4.06Å; V56-L79 HydrophobicContact CG1-CD1 4.02Å; V56-L80 PolarHBondContact O-N 3.36Å
57	D	96.2	Very high	93	Very high	57 Å²	57	58.4 Å²	58.4	31%	0.305	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.6	-178.7	-178.6	7.5	0	0	0	111.5	C47 L48 G59 L80	C47-D57 CarbonylContact C-O 3.57Å; C47-D57 VanDerWaalsContact CA-O 3.3Å; C47-D57 WeakPolarHBondContact CA-O 3.1Å; L48-D57 HydrophobicContact CB-CB 4.49Å; L48-D57 PolarHBondContact N-O 2.89Å; L48-D57 PolarHBondContact O-N 3.21Å; D57-G59 PolarHBondContact OD1-N 3.21Å; D57-L80 HydrophobicContact CB-CD1 4.31Å
58	C	96.1	Very high	92.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.358	C	S	.	.			trans	-113.6	17.5	174.8	-51.6	0	0	0	0	111.5	C47 L63 L80 L81 N84	C47-C58 HydrophobicContact CB-CB 4.08Å; C47-C58 WeakPolarHBondContact CB-SG 3.03Å; C47-C58 WeakPolarHBondContact SG-CB 3.42Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 2.83Å; C58-L63 HydrophobicContact CB-CD1 4.25Å; C58-L80 CarbonylContact C-O 3.59Å; C58-L80 WeakPolarHBondContact CA-O 3.38Å; C58-L80 WeakPolarHBondContact CB-O 3.28Å; C58-L80 PolarHBondContact N-O 2.88Å; C58-L81 HydrophobicContact CB-CD2 3.7Å; C58-N84 PolarHBondContact O-ND2 3.43Å
59	G	96.4	Very high	92.3	Very high	11 Å²	11	56.9 Å²	56.9	11%	0.113	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	151.8	-175.2	0	0	0	0	0	113.9	D57 R61 L80 A82	D57-G59 PolarHBondContact OD1-N 3.21Å; G59-R61 WeakPolarHBondContact O-CG 3.17Å; G59-R61 PolarHBondContact O-N 2.81Å; G59-L80 PolarHBondContact N-O 3.39Å; G59-A82 WeakPolarHBondContact CA-O 3.45Å
60	E	96.3	Very high	91.8	Very high	152 Å²	152	62.6 Å²	62.6	71%	0.71	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	28.3	175.1	-61.9	178.8	-154.6	0	0	114.6	A82 N83	E60-A82 PolarHBondContact N-O 2.99Å; E60-A82 VanDerWaalsContact N-O 3.09Å; E60-N83 WeakPolarHBondContact CA-O 3.25Å; E60-N83 HydrophobicContact CB-CB 4.39Å; E60-N83 HydrophobicContact CG-CB 3.45Å; E60-N83 VanDerWaalsContact CG-CB 3.45Å; E60-N83 PolarHBondContact OE1-ND2 3Å
61	R	95.6	Very high	91.5	Very high	95 Å²	95	62.8 Å²	62.8	36%	0.358	36%	0.357	S	S	.	.	S	Bend	trans	-99.6	-1.8	-177.1	-62.7	-68	162.3	91.6	9	113.7	P46 G59 L63 N84	P46-R61 VanDerWaalsContact O-CG 3.31Å; P46-R61 WeakPolarHBondContact O-CG 3.49Å; P46-R61 PolarHBondContact O-NH1 3.44Å; G59-R61 WeakPolarHBondContact O-CG 3.17Å; G59-R61 PolarHBondContact O-N 2.81Å; R61-L63 VanDerWaalsContact C-N 3.26Å; R61-L63 HydrophobicContact CB-CD1 4.12Å; R61-L63 HydrophobicContact CB-CD2 4.25Å; R61-L63 HydrophobicContact CB-CG 3.77Å; R61-L63 PolarHBondContact O-N 3.43Å; R61-N84 PolarHBondContact N-OD1 2.99Å
62	G	95.5	Very high	91.7	Very high	37 Å²	37	59.2 Å²	59.2	38%	0.381	33%	0.33	S	S	.	.			trans	66.2	27.1	-178.5	0	0	0	0	0	113.7	N84	G62-N84 PolarHBondContact N-OD1 3.38Å; G62-N84 VanDerWaalsContact N-OD1 3.09Å
63	L	95.9	Very high	91.8	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.152	30%	0.302	C	S	.	.			trans	-69.2	129.3	-177.2	-60.4	171.6	0	0	0	111	P46 C58 R61 N84 K85 F86	P46-L63 HydrophobicContact CB-CD2 3.87Å; P46-L63 HydrophobicContact CG-CD2 4.2Å; C58-L63 HydrophobicContact CB-CD1 4.25Å; R61-L63 VanDerWaalsContact C-N 3.26Å; R61-L63 HydrophobicContact CB-CD1 4.12Å; R61-L63 HydrophobicContact CB-CD2 4.25Å; R61-L63 HydrophobicContact CB-CG 3.77Å; R61-L63 PolarHBondContact O-N 3.43Å; L63-N84 HydrophobicContact CB-CB 4.27Å; L63-N84 WeakPolarHBondContact CB-OD1 3.44Å; L63-N84 WeakPolarHBondContact CG-OD1 3.23Å; L63-N84 PolarHBondContact N-OD1 3.04Å; L63-K85 CarbonylContact O-C 3.1Å; L63-K85 VanDerWaalsContact O-CA 3.3Å; L63-K85 WeakPolarHBondContact O-CA 3.1Å; L63-K85 WeakPolarHBondContact O-CB 3.35Å; L63-K85 PolarHBondContact O-N 3.04Å; L63-F86 HydrophobicContact CB-CE1 3.6Å; L63-F86 HydrophobicContact CB-CZ 3.66Å; L63-F86 HydrophobicContact CD1-CZ 4.14Å
64	S	95.4	Very high	91.7	Very high	90 Å²	90	55.5 Å²	55.5	63%	0.629	32%	0.316	S	S	*	.	S	Bend	trans	-93.9	-14	172.4	54.8	0	0	0	0	113.3
65	S	94.3	Very high	91.4	Very high	80 Å²	80	54.7 Å²	54.7	56%	0.559	32%	0.321	S	S	*	.	S	Bend	trans	-144.4	148.7	-179.2	59.2	0	0	0	0	110.2	F86	S65-F86 WeakPolarHBondContact O-CE1 3.14Å
66	L	93.5	Very high	91.2	Very high	37 Å²	37	53.1 Å²	53.1	19%	0.194	31%	0.311	C	S	.	.			trans	-57.2	141.6	-179.8	-71	176.9	0	0	0	111.7	M69 L81 F86 L89 S93 F94	L66-M69 HydrophobicContact CB-SD 4.37Å; L66-L81 HydrophobicContact CD2-CD1 3.63Å; L66-L81 HydrophobicContact CD2-CD2 4.11Å; L66-F86 HydrophobicContact CD2-CE1 4.32Å; L66-F86 HydrophobicContact CD2-CE2 4.36Å; L66-F86 HydrophobicContact CD2-CZ 4.11Å; L66-L89 HydrophobicContact CD1-CD2 3.87Å; L66-L89 HydrophobicContact CD2-CD2 4.15Å; L66-L89 HydrophobicContact CG-CD2 3.87Å; L66-S93 VanDerWaalsContact CD1-CB 3.43Å; L66-F94 HydrophobicContact CD1-CE1 4.01Å; L66-F94 HydrophobicContact CD1-CZ 4.11Å; L66-F94 HydrophobicContact CD2-CE1 4.32Å; L66-F94 HydrophobicContact CD2-CZ 4.43Å
67	P	89.9	Confident	91.2	Very high	10 Å²	10	58.5 Å²	58.5	7%	0.065	33%	0.331	C	S	.	.			trans	-64.3	165.8	171.3	29.2	-33.7	0	0	0	110.5	P44 P46 M69 L81	P44-P67 HydrophobicContact CB-CB 3.87Å; P44-P67 HydrophobicContact CG-CB 4.44Å; P46-P67 HydrophobicContact CG-CB 3.96Å; P67-M69 HydrophobicContact CG-SD 4.28Å; P67-M69 WeakPolarHBondContact O-CG 3.45Å; P67-M69 PolarHBondContact O-N 3.09Å; P67-L81 HydrophobicContact CG-CD2 4.49Å
68	P	87	Confident	91.3	Very high	55 Å²	55	56.7 Å²	56.7	36%	0.357	32%	0.323	S	S	.	.			trans	-64.2	98	179.8	-14.5	27.1	0	0	0	111.1	H70 L71	P68-H70 WeakPolarHBondContact CB-CE1 3.37Å; P68-H70 PolarHBondContact O-N 3.46Å; P68-H70 VanDerWaalsContact O-N 3.17Å; P68-L71 HydrophobicContact CB-CD1 3.87Å; P68-L71 HydrophobicContact CB-CG 4.11Å; P68-L71 HydrophobicContact CG-CD1 4.12Å; P68-L71 WeakPolarHBondContact O-CB 3.31Å; P68-L71 PolarHBondContact O-N 2.82Å
69	M	84.8	Confident	91.3	Very high	29 Å²	29	56.8 Å²	56.8	14%	0.143	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.2	-24.1	-170.9	-55.6	-63.3	-87	0	0	113.3	L66 P67 L71 L72 L79 F94 L97	L66-M69 HydrophobicContact CB-SD 4.37Å; P67-M69 HydrophobicContact CG-SD 4.28Å; P67-M69 WeakPolarHBondContact O-CG 3.45Å; P67-M69 PolarHBondContact O-N 3.09Å; M69-L71 PolarHBondContact O-N 3.34Å; M69-L72 HydrophobicContact CB-CD1 4.23Å; M69-L72 HydrophobicContact CE-CD1 4.03Å; M69-L72 WeakPolarHBondContact O-CB 3.37Å; M69-L72 WeakPolarHBondContact O-CD1 3.08Å; M69-L72 VanDerWaalsContact O-CG 3.26Å; M69-L72 WeakPolarHBondContact O-CG 3.45Å; M69-L72 PolarHBondContact O-N 3.32Å; M69-L72 VanDerWaalsContact O-N 3.14Å; M69-L72 HydrophobicContact SD-CD1 4.21Å; M69-L79 HydrophobicContact CE-CD2 3.4Å; M69-L79 VanDerWaalsContact CE-CD2 3.4Å; M69-F94 HydrophobicContact CE-CD1 3.55Å; M69-F94 HydrophobicContact CE-CE1 3.69Å; M69-L97 HydrophobicContact CE-CD1 3.49Å; M69-L97 VanDerWaalsContact CE-CD1 3.49Å
70	H	82.1	Confident	91.4	Very high	159 Å²	159	58.3 Å²	58.3	74%	0.736	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.4	-14.2	174.7	63.2	-92.6	0	0	0	113.7	P68	P68-H70 WeakPolarHBondContact CB-CE1 3.37Å; P68-H70 PolarHBondContact O-N 3.46Å; P68-H70 VanDerWaalsContact O-N 3.17Å
71	L	84	Confident	91.4	Very high	52 Å²	52	51 Å²	51	27%	0.272	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-88.2	-8.6	176.8	-64.7	-178.9	0	0	0	112.2	S42 P44 P68 M69	S42-L71 CarbonylContact C-O 3.52Å; S42-L71 CarbonylContact O-C 3.29Å; S42-L71 VanDerWaalsContact O-CB 3.28Å; S42-L71 WeakPolarHBondContact O-CB 3.49Å; P44-L71 HydrophobicContact CG-CB 4.21Å; P68-L71 HydrophobicContact CB-CD1 3.87Å; P68-L71 HydrophobicContact CB-CG 4.11Å; P68-L71 HydrophobicContact CG-CD1 4.12Å; P68-L71 WeakPolarHBondContact O-CB 3.31Å; P68-L71 PolarHBondContact O-N 2.82Å; M69-L71 PolarHBondContact O-N 3.34Å
72	L	87.4	Confident	91.5	Very high	23 Å²	23	47 Å²	47	12%	0.12	28%	0.282	C	S	.	.	S	Bend	trans	-56.6	136.9	179.8	-69.4	167.8	0	0	0	111.3	P44 V56 M69 L79 L97	P44-L72 HydrophobicContact CG-CD2 4.29Å; V56-L72 HydrophobicContact CB-CD2 4.05Å; V56-L72 HydrophobicContact CG1-CD2 3.63Å; V56-L72 HydrophobicContact CG2-CD2 3.92Å; M69-L72 HydrophobicContact CB-CD1 4.23Å; M69-L72 HydrophobicContact CE-CD1 4.03Å; M69-L72 WeakPolarHBondContact O-CB 3.37Å; M69-L72 WeakPolarHBondContact O-CD1 3.08Å; M69-L72 VanDerWaalsContact O-CG 3.26Å; M69-L72 WeakPolarHBondContact O-CG 3.45Å; M69-L72 PolarHBondContact O-N 3.32Å; M69-L72 VanDerWaalsContact O-N 3.14Å; M69-L72 HydrophobicContact SD-CD1 4.21Å; L72-L79 HydrophobicContact CD1-CD2 4.43Å; L72-L79 HydrophobicContact CD2-CD1 4.18Å; L72-L97 HydrophobicContact CD1-CD1 4.12Å; L72-L97 HydrophobicContact CD1-CD2 3.83Å
73	P	87.6	Confident	91.6	Very high	30 Å²	30	48.5 Å²	48.5	20%	0.195	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.2	138.9	176	-25.1	33	0	0	0	111.8	C49 V56 G75 S76	C49-P73 HydrophobicContact CB-CG 3.88Å; V56-P73 HydrophobicContact CG2-CG 4.43Å; P73-G75 PolarHBondContact O-N 3.41Å; P73-S76 WeakPolarHBondContact O-CB 3.23Å; P73-S76 PolarHBondContact O-N 3.12Å; P73-S76 PolarHBondContact O-OG 2.78Å
74	P	84.6	Confident	91.7	Very high	124 Å²	124	47.4 Å²	47.4	81%	0.805	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	133.2	-179.9	26.4	-33.8	0	0	0	110.3	S76	P74-S76 VanDerWaalsContact C-N 3.34Å
75	G	86.1	Confident	91.9	Very high	37 Å²	37	49 Å²	49	38%	0.381	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	15.4	-178.9	0	0	0	0	0	114.7	P73 R77	P73-G75 PolarHBondContact O-N 3.41Å; G75-R77 PolarHBondContact O-N 3.12Å
76	S	92.1	Very high	92	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.042	24%	0.244	C	C	.	.			trans	-52.2	134.6	168.2	-62.8	0	0	0	0	110.2	P73 P74 S99	P73-S76 WeakPolarHBondContact O-CB 3.23Å; P73-S76 PolarHBondContact O-N 3.12Å; P73-S76 PolarHBondContact O-OG 2.78Å; P74-S76 VanDerWaalsContact C-N 3.34Å; S76-S99 CarbonylContact O-C 3.51Å; S76-S99 PolarHBondContact O-OG 2.69Å
77	R	95.3	Very high	92.1	Very high	116 Å²	116	45.9 Å²	45.9	44%	0.438	26%	0.255	S	S	.	.			trans	-108.3	-29.1	-176.8	-66.5	-173.4	-178.1	-149.9	9.3	113	L54 G75 E101 E102	L54-R77 HydrophobicContact CB-CB 4.24Å; L54-R77 HydrophobicContact CB-CG 4.06Å; L54-R77 HydrophobicContact CD1-CG 3.96Å; L54-R77 PolarHBondContact O-N 2.9Å; G75-R77 PolarHBondContact O-N 3.12Å; R77-E101 HydrophobicContact CB-CG 4.47Å; R77-E101 WeakPolarHBondContact CD-OE1 3.23Å; R77-E101 IonicContact CZ-OE1 3.46Å; R77-E101 IonicContact NE-OE1 3.6Å; R77-E101 IonicContact NH1-OE1 2.89Å; R77-E101 PolarHBondContact NH1-OE1 3.11Å; R77-E101 IonicContact NH1-OE2 3.79Å; R77-E101 PolarHBondContact O-N 3.25Å; R77-E102 PolarHBondContact O-N 3.31Å
78	S	97.1	Very high	92.3	Very high	19 Å²	19	49.7 Å²	49.7	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.5	-176.6	-49.1	0	0	0	0	110	L54 V56 E102	L54-S78 PolarHBondContact O-N 2.83Å; V56-S78 PolarHBondContact N-O 3.48Å; S78-E102 WeakPolarHBondContact CA-O 3.41Å
79	L	96.4	Very high	92.7	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.3	178.1	178.4	60.3	0	0	0	109.6	V56 M69 L72 L81 L100 E102 L103 D104	V56-L79 HydrophobicContact CB-CD1 4.06Å; V56-L79 HydrophobicContact CG1-CD1 4.02Å; M69-L79 HydrophobicContact CE-CD2 3.4Å; M69-L79 VanDerWaalsContact CE-CD2 3.4Å; L72-L79 HydrophobicContact CD1-CD2 4.43Å; L72-L79 HydrophobicContact CD2-CD1 4.18Å; L79-L81 HydrophobicContact CD1-CD1 4.38Å; L79-L81 HydrophobicContact CD1-CG 4.23Å; L79-L81 HydrophobicContact CD2-CD1 3.74Å; L79-L81 HydrophobicContact CD2-CG 4.45Å; L79-L81 HydrophobicContact CG-CD1 3.84Å; L79-L81 HydrophobicContact CG-CG 4.05Å; L79-L100 HydrophobicContact CB-CD1 4.02Å; L79-L100 HydrophobicContact CB-CD2 3.91Å; L79-L100 HydrophobicContact CD2-CD1 4.17Å; L79-E102 PolarHBondContact N-O 2.79Å; L79-L103 HydrophobicContact CB-CD1 4.14Å; L79-L103 HydrophobicContact CD2-CD1 4.01Å; L79-L103 HydrophobicContact CG-CD1 4.13Å; L79-D104 PolarHBondContact O-N 3.38Å
80	L	97.8	Very high	93	Very high	42 Å²	42	48.4 Å²	48.4	22%	0.22	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.4	-179	-47	178.6	0	0	0	109.1	V55 V56 D57 C58 G59 D104	V55-L80 HydrophobicContact CG1-CD1 3.96Å; V55-L80 HydrophobicContact CG1-CG 4.26Å; V56-L80 PolarHBondContact O-N 3.36Å; D57-L80 HydrophobicContact CB-CD1 4.31Å; C58-L80 CarbonylContact C-O 3.59Å; C58-L80 WeakPolarHBondContact CA-O 3.38Å; C58-L80 WeakPolarHBondContact CB-O 3.28Å; C58-L80 PolarHBondContact N-O 2.88Å; G59-L80 PolarHBondContact N-O 3.39Å; L80-D104 HydrophobicContact CD2-CB 3.99Å
81	L	97.3	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.272	C	S	.	.			trans	-123.4	15	-178.1	-77.9	165.6	0	0	0	111.4	C58 L66 P67 L79 N84 F86 F94 L103 D104 L105 N108	C58-L81 HydrophobicContact CB-CD2 3.7Å; L66-L81 HydrophobicContact CD2-CD1 3.63Å; L66-L81 HydrophobicContact CD2-CD2 4.11Å; P67-L81 HydrophobicContact CG-CD2 4.49Å; L79-L81 HydrophobicContact CD1-CD1 4.38Å; L79-L81 HydrophobicContact CD1-CG 4.23Å; L79-L81 HydrophobicContact CD2-CD1 3.74Å; L79-L81 HydrophobicContact CD2-CG 4.45Å; L79-L81 HydrophobicContact CG-CD1 3.84Å; L79-L81 HydrophobicContact CG-CG 4.05Å; L81-N84 PolarHBondContact O-ND2 3.33Å; L81-F86 HydrophobicContact CB-CE2 3.94Å; L81-F86 HydrophobicContact CD2-CE2 3.87Å; L81-F86 HydrophobicContact CD2-CZ 3.86Å; L81-F86 HydrophobicContact CG-CE2 4.41Å; L81-F94 HydrophobicContact CD1-CE1 4.16Å; L81-L103 HydrophobicContact CD1-CD1 4.28Å; L81-D104 CarbonylContact C-O 3.41Å; L81-D104 VanDerWaalsContact CA-O 3.25Å; L81-D104 WeakPolarHBondContact CA-O 3.19Å; L81-D104 VanDerWaalsContact CB-O 3.26Å; L81-D104 WeakPolarHBondContact CB-O 3.44Å; L81-D104 PolarHBondContact N-O 3.32Å; L81-L105 HydrophobicContact CB-CD2 3.87Å; L81-L105 HydrophobicContact CD1-CD2 3.91Å; L81-N108 PolarHBondContact O-ND2 3.1Å; L81-N108 VanDerWaalsContact O-ND2 3.14Å
82	A	98	Very high	93.6	Very high	10 Å²	10	45.9 Å²	45.9	8%	0.083	29%	0.291	C	S	.	.			trans	-63	157.9	-178.2	0	0	0	0	0	113.8	G59 E60 N84 D104 S106	G59-A82 WeakPolarHBondContact CA-O 3.45Å; E60-A82 PolarHBondContact N-O 2.99Å; E60-A82 VanDerWaalsContact N-O 3.09Å; A82-N84 VanDerWaalsContact C-N 3.34Å; A82-N84 PolarHBondContact O-N 3.45Å; A82-N84 PolarHBondContact O-ND2 3.37Å; A82-D104 WeakPolarHBondContact CB-OD2 3.29Å; A82-D104 PolarHBondContact N-O 3.34Å; A82-S106 VanDerWaalsContact CA-O 3.24Å; A82-S106 WeakPolarHBondContact CA-O 3.25Å; A82-S106 WeakPolarHBondContact CB-OG 3.07Å
83	N	98.1	Very high	93.8	Very high	69 Å²	69	45.9 Å²	45.9	37%	0.369	29%	0.293	S	S	.	.	S	Bend	trans	56.6	44.2	173.6	-60.1	-40.5	0	0	0	113.1	E60 S106 N107	E60-N83 WeakPolarHBondContact CA-O 3.25Å; E60-N83 HydrophobicContact CB-CB 4.39Å; E60-N83 HydrophobicContact CG-CB 3.45Å; E60-N83 VanDerWaalsContact CG-CB 3.45Å; E60-N83 PolarHBondContact OE1-ND2 3Å; N83-S106 PolarHBondContact N-O 3.11Å; N83-S106 VanDerWaalsContact N-O 3.1Å; N83-N107 WeakPolarHBondContact CA-O 3.01Å; N83-N107 PolarHBondContact N-O 3.34Å; N83-N107 WeakPolarHBondContact OD1-CB 3.46Å
84	N	98.1	Very high	94	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.027	28%	0.284	C	S	.	.	S	Bend	trans	-115.4	-162.1	176.8	-81.8	-61	0	0	0	110.2	C58 R61 G62 L63 L81 A82 F86 N107 N108	C58-N84 PolarHBondContact O-ND2 3.43Å; R61-N84 PolarHBondContact N-OD1 2.99Å; G62-N84 PolarHBondContact N-OD1 3.38Å; G62-N84 VanDerWaalsContact N-OD1 3.09Å; L63-N84 HydrophobicContact CB-CB 4.27Å; L63-N84 WeakPolarHBondContact CB-OD1 3.44Å; L63-N84 WeakPolarHBondContact CG-OD1 3.23Å; L63-N84 PolarHBondContact N-OD1 3.04Å; L81-N84 PolarHBondContact O-ND2 3.33Å; A82-N84 VanDerWaalsContact C-N 3.34Å; A82-N84 PolarHBondContact O-N 3.45Å; A82-N84 PolarHBondContact O-ND2 3.37Å; N84-F86 HydrophobicContact CB-CD2 3.92Å; N84-F86 HydrophobicContact CB-CE1 4.48Å; N84-F86 HydrophobicContact CB-CE2 3.53Å; N84-F86 HydrophobicContact CB-CZ 3.86Å; N84-N107 PolarHBondContact N-O 2.76Å; N84-N108 VanDerWaalsContact CA-OD1 3.29Å; N84-N108 WeakPolarHBondContact CA-OD1 3.2Å; N84-N108 WeakPolarHBondContact CB-OD1 3.48Å; N84-N108 PolarHBondContact N-OD1 3.48Å; N84-N108 PolarHBondContact O-OD1 3.45Å
85	K	97.6	Very high	94.1	Very high	123 Å²	123	40.7 Å²	40.7	54%	0.535	26%	0.263	S	S	.	.			trans	-123.5	32.3	-176.9	-54.1	-176.6	178.1	173.9	0	111.7	L63 A87 N108 Y109	L63-K85 CarbonylContact O-C 3.1Å; L63-K85 VanDerWaalsContact O-CA 3.3Å; L63-K85 WeakPolarHBondContact O-CA 3.1Å; L63-K85 WeakPolarHBondContact O-CB 3.35Å; L63-K85 PolarHBondContact O-N 3.04Å; K85-A87 PolarHBondContact O-N 2.82Å; K85-N108 PolarHBondContact N-OD1 3.46Å; K85-Y109 HydrophobicContact CB-CD2 4.24Å; K85-Y109 HydrophobicContact CB-CE2 4.09Å; K85-Y109 HydrophobicContact CG-CE2 4.09Å
86	F	97.3	Very high	93.9	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	28%	0.28	C	S	.	.			trans	-69.4	118.2	179.1	-55.8	-49.6	0	0	0	109.8	L63 S65 L66 L81 N84 L105 N108 Y109 L110	L63-F86 HydrophobicContact CB-CE1 3.6Å; L63-F86 HydrophobicContact CB-CZ 3.66Å; L63-F86 HydrophobicContact CD1-CZ 4.14Å; S65-F86 WeakPolarHBondContact O-CE1 3.14Å; L66-F86 HydrophobicContact CD2-CE1 4.32Å; L66-F86 HydrophobicContact CD2-CE2 4.36Å; L66-F86 HydrophobicContact CD2-CZ 4.11Å; L81-F86 HydrophobicContact CB-CE2 3.94Å; L81-F86 HydrophobicContact CD2-CE2 3.87Å; L81-F86 HydrophobicContact CD2-CZ 3.86Å; L81-F86 HydrophobicContact CG-CE2 4.41Å; N84-F86 HydrophobicContact CB-CD2 3.92Å; N84-F86 HydrophobicContact CB-CE1 4.48Å; N84-F86 HydrophobicContact CB-CE2 3.53Å; N84-F86 HydrophobicContact CB-CZ 3.86Å; F86-L105 HydrophobicContact CD2-CD2 4.49Å; F86-N108 HydrophobicContact CB-CB 4.28Å; F86-N108 WeakPolarHBondContact CD2-OD1 3.39Å; F86-N108 PolarHBondContact N-OD1 2.96Å; F86-Y109 CarbonylContact O-C 3.21Å; F86-Y109 WeakPolarHBondContact O-CA 3.34Å; F86-Y109 PolarHBondContact O-N 3.46Å; F86-L110 HydrophobicContact CB-CD2 3.91Å; F86-L110 HydrophobicContact CB-CG 4.48Å; F86-L110 PolarHBondContact O-N 3.28Å
87	A	95.4	Very high	93.7	Very high	52 Å²	52	46.4 Å²	46.4	43%	0.43	28%	0.284	S	S	.	.			trans	-95.6	-30.6	174.1	0	0	0	0	0	112.1	K85	K85-A87 PolarHBondContact O-N 2.82Å
88	S	94.2	Very high	93.5	Very high	90 Å²	90	43.7 Å²	43.7	63%	0.629	28%	0.282	S	S	*	.			trans	-149.7	150.5	-177.7	64.3	0	0	0	0	111.1
89	L	95.3	Very high	93.4	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	29%	0.291	C	S	.	.			trans	-122.8	139.8	174.3	-59.5	172.9	0	0	0	109.5	L66 F94 L105 L110 L113 P114 L117	L66-L89 HydrophobicContact CD1-CD2 3.87Å; L66-L89 HydrophobicContact CD2-CD2 4.15Å; L66-L89 HydrophobicContact CG-CD2 3.87Å; L89-F94 HydrophobicContact CD1-CE2 3.88Å; L89-F94 HydrophobicContact CD1-CZ 4.05Å; L89-L105 HydrophobicContact CD1-CD1 4.04Å; L89-L105 HydrophobicContact CD1-CD2 4.39Å; L89-L110 HydrophobicContact CD1-CD1 4.11Å; L89-L110 HydrophobicContact CD1-CD2 3.94Å; L89-L110 HydrophobicContact CD2-CD2 4.41Å; L89-L110 HydrophobicContact CG-CD2 3.72Å; L89-L113 HydrophobicContact CD1-CD2 3.96Å; L89-P114 WeakPolarHBondContact O-CD 3.15Å; L89-P114 WeakPolarHBondContact O-CG 3.43Å; L89-L117 HydrophobicContact CB-CD1 4.4Å; L89-L117 HydrophobicContact CB-CD2 4.32Å; L89-L117 HydrophobicContact CD1-CD2 4.03Å
90	G	91.9	Very high	93.3	Very high	41 Å²	41	45 Å²	45	42%	0.423	29%	0.291	S	S	.	.			trans	-74.9	152.1	172.9	0	0	0	0	0	111.7	S92 S93 L117	G90-S92 PolarHBondContact O-N 2.92Å; G90-S92 VanDerWaalsContact O-N 3.12Å; G90-S93 WeakPolarHBondContact CA-OG 3.2Å; G90-S93 PolarHBondContact N-OG 3.05Å; G90-S93 WeakPolarHBondContact O-CB 3.34Å; G90-S93 PolarHBondContact O-N 3.39Å; G90-S93 PolarHBondContact O-OG 3.26Å; G90-L117 VanDerWaalsContact O-CD1 3.24Å; G90-L117 WeakPolarHBondContact O-CD1 3.42Å
91	A	89.1	Confident	93.3	Very high	63 Å²	63	46.2 Å²	46.2	52%	0.521	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.2	-177.1	0	0	0	0	0	114.2	P114	A91-P114 HydrophobicContact CB-CB 4.01Å; A91-P114 HydrophobicContact CB-CG 4.22Å
92	S	88.9	Confident	93.4	Very high	94 Å²	94	49.1 Å²	49.1	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	13.9	178.7	55.3	0	0	0	0	113.8	G90 F94 A95	G90-S92 PolarHBondContact O-N 2.92Å; G90-S92 VanDerWaalsContact O-N 3.12Å; S92-F94 PolarHBondContact O-N 2.95Å; S92-A95 WeakPolarHBondContact O-CB 3.48Å; S92-A95 PolarHBondContact O-N 3.48Å; S92-A95 VanDerWaalsContact O-N 3.14Å
93	S	91.2	Very high	93.4	Very high	24 Å²	24	48.6 Å²	48.6	17%	0.168	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.6	-176.1	-68.7	0	0	0	0	113.7	L66 G90	L66-S93 VanDerWaalsContact CD1-CB 3.43Å; G90-S93 WeakPolarHBondContact CA-OG 3.2Å; G90-S93 PolarHBondContact N-OG 3.05Å; G90-S93 WeakPolarHBondContact O-CB 3.34Å; G90-S93 PolarHBondContact O-N 3.39Å; G90-S93 PolarHBondContact O-OG 3.26Å
94	F	92.2	Very high	93.4	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	19.6	-179.2	-52.7	-65.9	0	0	0	112.6	L66 M69 L81 L89 S92 N96 L97 L103 L105 L117 F118 M121	L66-F94 HydrophobicContact CD1-CE1 4.01Å; L66-F94 HydrophobicContact CD1-CZ 4.11Å; L66-F94 HydrophobicContact CD2-CE1 4.32Å; L66-F94 HydrophobicContact CD2-CZ 4.43Å; M69-F94 HydrophobicContact CE-CD1 3.55Å; M69-F94 HydrophobicContact CE-CE1 3.69Å; L81-F94 HydrophobicContact CD1-CE1 4.16Å; L89-F94 HydrophobicContact CD1-CE2 3.88Å; L89-F94 HydrophobicContact CD1-CZ 4.05Å; S92-F94 PolarHBondContact O-N 2.95Å; F94-N96 PolarHBondContact O-N 3.17Å; F94-L97 HydrophobicContact CB-CD1 4.09Å; F94-L97 HydrophobicContact CD1-CD1 3.97Å; F94-L97 PolarHBondContact O-N 2.98Å; F94-L103 HydrophobicContact CE1-CD1 4.3Å; F94-L103 HydrophobicContact CE1-CD2 4.44Å; F94-L103 HydrophobicContact CE2-CD2 4.34Å; F94-L103 HydrophobicContact CZ-CD2 4.32Å; F94-L105 HydrophobicContact CE2-CD1 4.12Å; F94-L105 HydrophobicContact CZ-CD1 3.95Å; F94-L105 HydrophobicContact CZ-CD2 4.17Å; F94-L117 HydrophobicContact CD2-CD1 3.68Å; F94-L117 HydrophobicContact CD2-CD2 4.36Å; F94-L117 HydrophobicContact CD2-CG 3.85Å; F94-L117 HydrophobicContact CE2-CD1 3.97Å; F94-L117 HydrophobicContact CE2-CD2 4.08Å; F94-L117 HydrophobicContact CE2-CG 4.07Å; F94-F118 HydrophobicContact CD2-CD1 4.12Å; F94-F118 AromaticContact CD2-CE1 3.97Å; F94-F118 HydrophobicContact CD2-CE1 3.97Å; F94-F118 AromaticContact CE2-CE1 3.92Å; F94-F118 HydrophobicContact CE2-CE1 3.92Å; F94-M121 HydrophobicContact CB-SD 3.97Å; F94-M121 HydrophobicContact CG-SD 4.48Å
95	A	86.3	Confident	93.5	Very high	42 Å²	42	46.5 Å²	46.5	35%	0.347	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	138.1	178.7	0	0	0	0	0	110.7	S92 L97	S92-A95 WeakPolarHBondContact O-CB 3.48Å; S92-A95 PolarHBondContact O-N 3.48Å; S92-A95 VanDerWaalsContact O-N 3.14Å; A95-L97 VanDerWaalsContact C-N 3.25Å; A95-L97 PolarHBondContact O-N 2.65Å
96	N	82.1	Confident	93.5	Very high	139 Å²	139	40.8 Å²	40.8	74%	0.743	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	16.1	180	-52.7	-47.5	0	0	0	116.3	F94 S98	F94-N96 PolarHBondContact O-N 3.17Å; N96-S98 PolarHBondContact O-N 3.03Å
97	L	89	Confident	93.6	Very high	23 Å²	23	43 Å²	43	12%	0.12	28%	0.281	C	S	.	.			trans	-90.7	43.5	173.3	-57.3	-179.1	0	0	0	112.3	M69 L72 F94 A95 S99 L100	M69-L97 HydrophobicContact CE-CD1 3.49Å; M69-L97 VanDerWaalsContact CE-CD1 3.49Å; L72-L97 HydrophobicContact CD1-CD1 4.12Å; L72-L97 HydrophobicContact CD1-CD2 3.83Å; F94-L97 HydrophobicContact CB-CD1 4.09Å; F94-L97 HydrophobicContact CD1-CD1 3.97Å; F94-L97 PolarHBondContact O-N 2.98Å; A95-L97 VanDerWaalsContact C-N 3.25Å; A95-L97 PolarHBondContact O-N 2.65Å; L97-S99 PolarHBondContact O-N 3.39Å; L97-L100 HydrophobicContact CB-CD1 3.78Å; L97-L100 HydrophobicContact CB-CG 4.2Å; L97-L100 HydrophobicContact CD1-CD1 3.97Å; L97-L100 HydrophobicContact CG-CD1 4.46Å; L97-L100 PolarHBondContact O-N 3.31Å
98	S	91.5	Very high	93.7	Very high	59 Å²	59	40.7 Å²	40.7	41%	0.413	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.5	-173.6	60.1	0	0	0	0	114.4	N96 D120 N123	N96-S98 PolarHBondContact O-N 3.03Å; S98-D120 WeakPolarHBondContact CA-O 3.32Å; S98-D120 WeakPolarHBondContact CB-O 3.37Å; S98-N123 WeakPolarHBondContact O-CB 3.48Å; S98-N123 PolarHBondContact O-ND2 2.83Å
99	S	93.4	Very high	93.9	Very high	45 Å²	45	43.2 Å²	43.2	32%	0.315	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.8	175	65.3	0	0	0	0	114	S76 L97 E101	S76-S99 CarbonylContact O-C 3.51Å; S76-S99 PolarHBondContact O-OG 2.69Å; L97-S99 PolarHBondContact O-N 3.39Å; S99-E101 PolarHBondContact O-N 2.79Å
100	L	95.9	Very high	94	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	26%	0.255	C	S	.	.			trans	-68	131.7	-178.4	-72.6	177.6	0	0	0	111	L79 L97 N123 L124	L79-L100 HydrophobicContact CB-CD1 4.02Å; L79-L100 HydrophobicContact CB-CD2 3.91Å; L79-L100 HydrophobicContact CD2-CD1 4.17Å; L97-L100 HydrophobicContact CB-CD1 3.78Å; L97-L100 HydrophobicContact CB-CG 4.2Å; L97-L100 HydrophobicContact CD1-CD1 3.97Å; L97-L100 HydrophobicContact CG-CD1 4.46Å; L97-L100 PolarHBondContact O-N 3.31Å; L100-N123 CarbonylContact O-C 3.17Å; L100-N123 VanDerWaalsContact O-C 3.29Å; L100-L124 HydrophobicContact CB-CD1 4.1Å; L100-L124 WeakPolarHBondContact O-CA 3.49Å; L100-L124 PolarHBondContact O-N 2.81Å
101	E	97.8	Very high	94.1	Very high	69 Å²	69	44.1 Å²	44.1	32%	0.322	25%	0.254	S	S	.	.	S	Bend	trans	-103.5	-25.2	173.3	-64.1	176.5	-161.3	0	0	111	R77 S99 T125 R126	R77-E101 HydrophobicContact CB-CG 4.47Å; R77-E101 WeakPolarHBondContact CD-OE1 3.23Å; R77-E101 IonicContact CZ-OE1 3.46Å; R77-E101 IonicContact NE-OE1 3.6Å; R77-E101 IonicContact NH1-OE1 2.89Å; R77-E101 PolarHBondContact NH1-OE1 3.11Å; R77-E101 IonicContact NH1-OE2 3.79Å; R77-E101 PolarHBondContact O-N 3.25Å; S99-E101 PolarHBondContact O-N 2.79Å; E101-T125 WeakPolarHBondContact O-CA 3.22Å; E101-T125 PolarHBondContact O-N 3.23Å; E101-T125 PolarHBondContact O-OG1 2.86Å; E101-R126 PolarHBondContact O-N 3.24Å
102	E	98.4	Very high	94.3	Very high	60 Å²	60	44.9 Å²	44.9	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.4	-178.6	-179.4	165.2	172.3	0	0	111.9	R77 S78 L79 R126	R77-E102 PolarHBondContact O-N 3.31Å; S78-E102 WeakPolarHBondContact CA-O 3.41Å; L79-E102 PolarHBondContact N-O 2.79Å; E102-R126 WeakPolarHBondContact CA-O 3.34Å; E102-R126 HydrophobicContact CB-CB 4.38Å; E102-R126 HydrophobicContact CG-CB 4.1Å; E102-R126 HydrophobicContact CG-CG 4.32Å; E102-R126 WeakPolarHBondContact OE1-CD 3.26Å; E102-R126 IonicContact OE2-NE 3.98Å
103	L	98.3	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.8	176	175.9	60.8	0	0	0	109.6	L79 L81 F94 L105 F118 M121 L124 R126 L127 T128	L79-L103 HydrophobicContact CB-CD1 4.14Å; L79-L103 HydrophobicContact CD2-CD1 4.01Å; L79-L103 HydrophobicContact CG-CD1 4.13Å; L81-L103 HydrophobicContact CD1-CD1 4.28Å; F94-L103 HydrophobicContact CE1-CD1 4.3Å; F94-L103 HydrophobicContact CE1-CD2 4.44Å; F94-L103 HydrophobicContact CE2-CD2 4.34Å; F94-L103 HydrophobicContact CZ-CD2 4.32Å; L103-L105 HydrophobicContact CD1-CG 4.24Å; L103-L105 HydrophobicContact CD2-CD1 4Å; L103-L105 HydrophobicContact CG-CD1 4.2Å; L103-L105 HydrophobicContact CG-CG 4.22Å; L103-F118 HydrophobicContact CD2-CD1 4.3Å; L103-F118 HydrophobicContact CD2-CE1 3.83Å; L103-M121 HydrophobicContact CD2-CE 3.95Å; L103-M121 HydrophobicContact CD2-SD 4.14Å; L103-L124 HydrophobicContact CB-CD1 3.86Å; L103-L124 HydrophobicContact CB-CD2 4.31Å; L103-R126 PolarHBondContact N-O 3.05Å; L103-L127 HydrophobicContact CB-CD1 4.16Å; L103-L127 HydrophobicContact CD2-CD1 3.98Å; L103-L127 HydrophobicContact CG-CD1 4.1Å; L103-T128 PolarHBondContact O-N 3.3Å
104	D	98.6	Very high	94.9	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.9	177.1	-171.9	5.3	0	0	0	112.3	L79 L80 L81 A82 S106 T128	L79-D104 PolarHBondContact O-N 3.38Å; L80-D104 HydrophobicContact CD2-CB 3.99Å; L81-D104 CarbonylContact C-O 3.41Å; L81-D104 VanDerWaalsContact CA-O 3.25Å; L81-D104 WeakPolarHBondContact CA-O 3.19Å; L81-D104 VanDerWaalsContact CB-O 3.26Å; L81-D104 WeakPolarHBondContact CB-O 3.44Å; L81-D104 PolarHBondContact N-O 3.32Å; A82-D104 WeakPolarHBondContact CB-OD2 3.29Å; A82-D104 PolarHBondContact N-O 3.34Å; D104-S106 WeakPolarHBondContact OD1-CB 3.27Å; D104-S106 PolarHBondContact OD1-N 2.76Å; D104-S106 PolarHBondContact OD1-OG 2.9Å; D104-S106 PolarHBondContact OD2-OG 2.89Å; D104-T128 WeakPolarHBondContact CA-OG1 3.37Å; D104-T128 VanDerWaalsContact CB-OG1 3.28Å; D104-T128 WeakPolarHBondContact CB-OG1 3.14Å; D104-T128 PolarHBondContact OD1-OG1 3.44Å
105	L	98.4	Very high	95	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.			trans	-115.6	16.9	177.1	-72.7	167.1	0	0	0	111.7	L81 F86 L89 F94 L103 N108 L110 F118 T128 L129 N132	L81-L105 HydrophobicContact CB-CD2 3.87Å; L81-L105 HydrophobicContact CD1-CD2 3.91Å; F86-L105 HydrophobicContact CD2-CD2 4.49Å; L89-L105 HydrophobicContact CD1-CD1 4.04Å; L89-L105 HydrophobicContact CD1-CD2 4.39Å; F94-L105 HydrophobicContact CE2-CD1 4.12Å; F94-L105 HydrophobicContact CZ-CD1 3.95Å; F94-L105 HydrophobicContact CZ-CD2 4.17Å; L103-L105 HydrophobicContact CD1-CG 4.24Å; L103-L105 HydrophobicContact CD2-CD1 4Å; L103-L105 HydrophobicContact CG-CD1 4.2Å; L103-L105 HydrophobicContact CG-CG 4.22Å; L105-N108 PolarHBondContact O-ND2 3.03Å; L105-N108 VanDerWaalsContact O-ND2 3.1Å; L105-L110 HydrophobicContact CB-CD1 4.25Å; L105-F118 HydrophobicContact CD1-CE1 4.31Å; L105-F118 HydrophobicContact CD1-CZ 4.34Å; L105-T128 CarbonylContact C-O 3.17Å; L105-T128 PolarHBondContact N-O 3.06Å; L105-L129 HydrophobicContact CB-CD2 3.77Å; L105-L129 HydrophobicContact CD1-CD2 3.95Å; L105-N132 PolarHBondContact O-ND2 3.06Å
106	S	98.5	Very high	95.3	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	23%	0.233	C	C	.	.			trans	-62.9	157.8	-177.5	63.5	0	0	0	0	113.2	A82 N83 D104 N108 T128 H130	A82-S106 VanDerWaalsContact CA-O 3.24Å; A82-S106 WeakPolarHBondContact CA-O 3.25Å; A82-S106 WeakPolarHBondContact CB-OG 3.07Å; N83-S106 PolarHBondContact N-O 3.11Å; N83-S106 VanDerWaalsContact N-O 3.1Å; D104-S106 WeakPolarHBondContact OD1-CB 3.27Å; D104-S106 PolarHBondContact OD1-N 2.76Å; D104-S106 PolarHBondContact OD1-OG 2.9Å; D104-S106 PolarHBondContact OD2-OG 2.89Å; S106-N108 PolarHBondContact O-N 3.32Å; S106-N108 PolarHBondContact O-ND2 2.77Å; S106-N108 VanDerWaalsContact O-ND2 3.09Å; S106-T128 PolarHBondContact N-O 3.47Å; S106-H130 CarbonylContact C-O 3.5Å; S106-H130 VanDerWaalsContact CA-O 3.23Å; S106-H130 WeakPolarHBondContact CA-O 3.45Å; S106-H130 WeakPolarHBondContact CB-CE1 3.49Å; S106-H130 WeakPolarHBondContact CB-NE2 3.18Å; S106-H130 WeakPolarHBondContact CB-O 3.32Å
107	N	98.4	Very high	96	Very high	46 Å²	46	36 Å²	36	25%	0.246	20%	0.199	C	C	.	.	S	Bend	trans	55.5	50.1	173.7	-55.3	-77.9	0	0	0	112.3	N83 N84 H130 N131	N83-N107 WeakPolarHBondContact CA-O 3.01Å; N83-N107 PolarHBondContact N-O 3.34Å; N83-N107 WeakPolarHBondContact OD1-CB 3.46Å; N84-N107 PolarHBondContact N-O 2.76Å; N107-H130 PolarHBondContact N-O 3.18Å; N107-H130 PolarHBondContact ND2-NE2 2.98Å; N107-H130 VanDerWaalsContact ND2-NE2 3.17Å; N107-N131 VanDerWaalsContact CA-O 3.25Å; N107-N131 WeakPolarHBondContact CA-O 3.37Å; N107-N131 PolarHBondContact N-O 3.3Å; N107-N131 WeakPolarHBondContact OD1-CB 3.37Å; N107-N131 PolarHBondContact OD1-ND2 3.37Å
108	N	98.5	Very high	96.3	Very high	5 Å²	5	35 Å²	35	3%	0.027	19%	0.193	C	C	.	.	S	Bend	trans	-122.4	-168.7	173.3	-82.9	-78.3	0	0	0	109.1	L81 N84 K85 F86 L105 S106 L110 N131 N132	L81-N108 PolarHBondContact O-ND2 3.1Å; L81-N108 VanDerWaalsContact O-ND2 3.14Å; N84-N108 VanDerWaalsContact CA-OD1 3.29Å; N84-N108 WeakPolarHBondContact CA-OD1 3.2Å; N84-N108 WeakPolarHBondContact CB-OD1 3.48Å; N84-N108 PolarHBondContact N-OD1 3.48Å; N84-N108 PolarHBondContact O-OD1 3.45Å; K85-N108 PolarHBondContact N-OD1 3.46Å; F86-N108 HydrophobicContact CB-CB 4.28Å; F86-N108 WeakPolarHBondContact CD2-OD1 3.39Å; F86-N108 PolarHBondContact N-OD1 2.96Å; L105-N108 PolarHBondContact O-ND2 3.03Å; L105-N108 VanDerWaalsContact O-ND2 3.1Å; S106-N108 PolarHBondContact O-N 3.32Å; S106-N108 PolarHBondContact O-ND2 2.77Å; S106-N108 VanDerWaalsContact O-ND2 3.09Å; N108-L110 HydrophobicContact CB-CD1 4.44Å; N108-L110 HydrophobicContact CB-CG 4.21Å; N108-N131 PolarHBondContact N-O 3.33Å; N108-N132 WeakPolarHBondContact CA-OD1 3.37Å; N108-N132 WeakPolarHBondContact CB-OD1 3.07Å; N108-N132 PolarHBondContact N-OD1 3.48Å; N108-N132 PolarHBondContact O-OD1 3.47Å
109	Y	97.8	Very high	96.4	Very high	143 Å²	143	37.9 Å²	37.9	56%	0.561	20%	0.195	S	C	*	.			trans	-116.3	31.1	-179.6	-54.6	-74.6	0	0	0	111.7	K85 F86 D111 N132	K85-Y109 HydrophobicContact CB-CD2 4.24Å; K85-Y109 HydrophobicContact CB-CE2 4.09Å; K85-Y109 HydrophobicContact CG-CE2 4.09Å; F86-Y109 CarbonylContact O-C 3.21Å; F86-Y109 WeakPolarHBondContact O-CA 3.34Å; F86-Y109 PolarHBondContact O-N 3.46Å; Y109-D111 PolarHBondContact O-N 3.44Å; Y109-N132 PolarHBondContact N-OD1 3.36Å
110	L	97.7	Very high	96.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.			trans	-67.9	119.4	-177.1	-60.4	167.8	0	0	0	109.3	F86 L89 L105 N108 L113 L129 N132 S133 L134	F86-L110 HydrophobicContact CB-CD2 3.91Å; F86-L110 HydrophobicContact CB-CG 4.48Å; F86-L110 PolarHBondContact O-N 3.28Å; L89-L110 HydrophobicContact CD1-CD1 4.11Å; L89-L110 HydrophobicContact CD1-CD2 3.94Å; L89-L110 HydrophobicContact CD2-CD2 4.41Å; L89-L110 HydrophobicContact CG-CD2 3.72Å; L105-L110 HydrophobicContact CB-CD1 4.25Å; N108-L110 HydrophobicContact CB-CD1 4.44Å; N108-L110 HydrophobicContact CB-CG 4.21Å; L110-L113 HydrophobicContact CB-CD2 4.48Å; L110-L113 HydrophobicContact CD1-CD2 4.24Å; L110-L113 HydrophobicContact CD2-CD2 4.47Å; L110-L129 HydrophobicContact CD1-CD2 4.23Å; L110-N132 HydrophobicContact CB-CB 4.24Å; L110-N132 WeakPolarHBondContact CB-OD1 3.24Å; L110-N132 WeakPolarHBondContact CG-OD1 3.12Å; L110-N132 PolarHBondContact N-OD1 3.07Å; L110-S133 CarbonylContact O-C 3.13Å; L110-S133 VanDerWaalsContact O-CA 3.28Å; L110-S133 WeakPolarHBondContact O-CA 3.4Å; L110-S133 PolarHBondContact O-N 3.47Å; L110-L134 HydrophobicContact CB-CD2 4.13Å; L110-L134 WeakPolarHBondContact O-CD2 3.24Å; L110-L134 PolarHBondContact O-N 2.97Å; L110-L134 VanDerWaalsContact O-N 3.17Å
111	D	94.5	Very high	96.2	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	20%	0.2	S	C	.	.			trans	-100.4	-33	-179.7	64.1	-8	0	0	0	112.6	Y109 S133 L134 T135	Y109-D111 PolarHBondContact O-N 3.44Å; D111-S133 WeakPolarHBondContact CA-O 3.33Å; D111-L134 WeakPolarHBondContact O-CA 3.36Å; D111-T135 PolarHBondContact O-N 2.89Å
112	N	93.6	Very high	96.1	Very high	79 Å²	79	38.5 Å²	38.5	42%	0.422	20%	0.201	S	C	.	.			trans	-141.9	145.9	178	-60	-77.2	0	0	0	110.2
113	L	96.6	Very high	96	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.079	21%	0.207	C	C	.	.			trans	-119.2	132.1	173.2	-63.1	173.2	0	0	0	109.4	L89 L110 L117 F118 L129 L134 L141	L89-L113 HydrophobicContact CD1-CD2 3.96Å; L110-L113 HydrophobicContact CB-CD2 4.48Å; L110-L113 HydrophobicContact CD1-CD2 4.24Å; L110-L113 HydrophobicContact CD2-CD2 4.47Å; L113-L117 HydrophobicContact CB-CD2 4.26Å; L113-L117 HydrophobicContact CD2-CD2 3.79Å; L113-L117 HydrophobicContact CG-CD2 4.46Å; L113-F118 HydrophobicContact CD1-CE2 4.35Å; L113-F118 HydrophobicContact CD1-CZ 4.43Å; L113-L129 HydrophobicContact CD1-CD1 3.98Å; L113-L129 HydrophobicContact CD1-CD2 4.05Å; L113-L134 HydrophobicContact CD1-CD1 4.03Å; L113-L134 HydrophobicContact CD1-CD2 4.04Å; L113-L134 HydrophobicContact CG-CD2 3.79Å; L113-L141 HydrophobicContact CB-CD1 3.54Å; L113-L141 HydrophobicContact CB-CD2 4.25Å; L113-L141 HydrophobicContact CD1-CD1 4.16Å; L113-L141 HydrophobicContact CD1-CD2 3.99Å; L113-L141 HydrophobicContact CG-CD1 4.5Å
114	P	95.4	Very high	96	Very high	36 Å²	36	39.4 Å²	39.4	23%	0.234	21%	0.207	C	C	.	.			trans	-64.3	147.5	178.5	24.9	-32.6	0	0	0	111.5	L89 A91 G116 L117	L89-P114 WeakPolarHBondContact O-CD 3.15Å; L89-P114 WeakPolarHBondContact O-CG 3.43Å; A91-P114 HydrophobicContact CB-CB 4.01Å; A91-P114 HydrophobicContact CB-CG 4.22Å; P114-G116 PolarHBondContact O-N 3.19Å; P114-L117 HydrophobicContact CG-CB 4.14Å; P114-L117 HydrophobicContact CG-CD1 4.07Å; P114-L117 HydrophobicContact CG-CD2 4.49Å; P114-L117 HydrophobicContact CG-CG 4.46Å; P114-L117 WeakPolarHBondContact O-CB 3.41Å; P114-L117 PolarHBondContact O-N 3.05Å
115	A	94.4	Very high	96	Very high	46 Å²	46	39.9 Å²	39.9	38%	0.38	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	136.7	172.7	0	0	0	0	0	111.2	L117 D138 E140	A115-L117 PolarHBondContact O-N 3.33Å; A115-D138 HydrophobicContact CB-CB 4.42Å; A115-D138 WeakPolarHBondContact CB-OD1 3.18Å; A115-E140 HydrophobicContact CB-CB 4.31Å
116	G	92.5	Very high	96	Very high	14 Å²	14	44.8 Å²	44.8	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	15.9	177.4	0	0	0	0	0	115.6	P114 F118 R119 E140	P114-G116 PolarHBondContact O-N 3.19Å; G116-F118 PolarHBondContact O-N 2.98Å; G116-R119 VanDerWaalsContact O-CB 3.26Å; G116-R119 WeakPolarHBondContact O-CB 3.36Å; G116-R119 PolarHBondContact O-N 3.49Å; G116-E140 WeakPolarHBondContact CA-O 3.39Å; G116-E140 PolarHBondContact N-O 3.33Å; G116-E140 VanDerWaalsContact N-O 3.13Å
117	L	95.9	Very high	96	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-32.6	177.2	178.2	60.3	0	0	0	113.1	L89 G90 F94 L113 P114 A115 L141	L89-L117 HydrophobicContact CB-CD1 4.4Å; L89-L117 HydrophobicContact CB-CD2 4.32Å; L89-L117 HydrophobicContact CD1-CD2 4.03Å; G90-L117 VanDerWaalsContact O-CD1 3.24Å; G90-L117 WeakPolarHBondContact O-CD1 3.42Å; F94-L117 HydrophobicContact CD2-CD1 3.68Å; F94-L117 HydrophobicContact CD2-CD2 4.36Å; F94-L117 HydrophobicContact CD2-CG 3.85Å; F94-L117 HydrophobicContact CE2-CD1 3.97Å; F94-L117 HydrophobicContact CE2-CD2 4.08Å; F94-L117 HydrophobicContact CE2-CG 4.07Å; L113-L117 HydrophobicContact CB-CD2 4.26Å; L113-L117 HydrophobicContact CD2-CD2 3.79Å; L113-L117 HydrophobicContact CG-CD2 4.46Å; P114-L117 HydrophobicContact CG-CB 4.14Å; P114-L117 HydrophobicContact CG-CD1 4.07Å; P114-L117 HydrophobicContact CG-CD2 4.49Å; P114-L117 HydrophobicContact CG-CG 4.46Å; P114-L117 WeakPolarHBondContact O-CB 3.41Å; P114-L117 PolarHBondContact O-N 3.05Å; A115-L117 PolarHBondContact O-N 3.33Å; L117-L141 HydrophobicContact CB-CD1 4.24Å
118	F	95.9	Very high	96	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	8	-173.2	-57.5	-47.5	0	0	0	114	F94 L103 L105 L113 G116 D120 M121 L127 L129 L141 F142 L145	F94-F118 HydrophobicContact CD2-CD1 4.12Å; F94-F118 AromaticContact CD2-CE1 3.97Å; F94-F118 HydrophobicContact CD2-CE1 3.97Å; F94-F118 AromaticContact CE2-CE1 3.92Å; F94-F118 HydrophobicContact CE2-CE1 3.92Å; L103-F118 HydrophobicContact CD2-CD1 4.3Å; L103-F118 HydrophobicContact CD2-CE1 3.83Å; L105-F118 HydrophobicContact CD1-CE1 4.31Å; L105-F118 HydrophobicContact CD1-CZ 4.34Å; L113-F118 HydrophobicContact CD1-CE2 4.35Å; L113-F118 HydrophobicContact CD1-CZ 4.43Å; G116-F118 PolarHBondContact O-N 2.98Å; F118-D120 VanDerWaalsContact C-N 3.28Å; F118-D120 PolarHBondContact O-N 3.48Å; F118-D120 VanDerWaalsContact O-N 3.14Å; F118-M121 HydrophobicContact CB-CE 3.51Å; F118-M121 HydrophobicContact CD1-CE 3.17Å; F118-M121 HydrophobicContact CD1-SD 4.38Å; F118-M121 HydrophobicContact CE1-CE 4.09Å; F118-M121 HydrophobicContact CG-CE 3.63Å; F118-M121 PolarHBondContact O-N 2.92Å; F118-M121 VanDerWaalsContact O-N 3.07Å; F118-L127 HydrophobicContact CD2-CD2 4Å; F118-L127 HydrophobicContact CE1-CD1 4.4Å; F118-L127 HydrophobicContact CE2-CD2 3.76Å; F118-L127 HydrophobicContact CZ-CD1 4.18Å; F118-L127 HydrophobicContact CZ-CD2 4.13Å; F118-L129 HydrophobicContact CE2-CD1 4.27Å; F118-L129 HydrophobicContact CZ-CD1 4.34Å; F118-L141 HydrophobicContact CD2-CD1 4.02Å; F118-L141 HydrophobicContact CD2-CG 4.29Å; F118-L141 WeakPolarHBondContact CD2-O 3.35Å; F118-L141 HydrophobicContact CE2-CD1 3.87Å; F118-L141 HydrophobicContact CE2-CG 4.23Å; F118-F142 HydrophobicContact CD2-CD1 4.22Å; F118-F142 HydrophobicContact CD2-CE1 4.44Å; F118-F142 HydrophobicContact CE2-CE1 4.33Å; F118-L145 HydrophobicContact CB-CD1 4Å; F118-L145 HydrophobicContact CB-CD2 3.96Å; F118-L145 HydrophobicContact CB-CG 4.11Å; F118-L145 HydrophobicContact CD2-CD1 4.4Å; F118-L145 HydrophobicContact CG-CD1 4.49Å
119	R	93.6	Very high	96	Very high	119 Å²	119	43 Å²	43	45%	0.449	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.1	-167.9	-176.5	178.3	-83	172.4	-0	114.7	G116 E140 Q143	G116-R119 VanDerWaalsContact O-CB 3.26Å; G116-R119 WeakPolarHBondContact O-CB 3.36Å; G116-R119 PolarHBondContact O-N 3.49Å; R119-E140 IonicContact NH2-OE2 3.23Å; R119-E140 PolarHBondContact NH2-OE2 2.98Å; R119-Q143 VanDerWaalsContact CA-O 3.3Å; R119-Q143 WeakPolarHBondContact CA-O 3.43Å
120	D	91.6	Very high	96	Very high	82 Å²	82	38.3 Å²	38.3	44%	0.439	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.2	-175.5	-61.3	-26.3	0	0	0	113.5	S98 F118 S122	S98-D120 WeakPolarHBondContact CA-O 3.32Å; S98-D120 WeakPolarHBondContact CB-O 3.37Å; F118-D120 VanDerWaalsContact C-N 3.28Å; F118-D120 PolarHBondContact O-N 3.48Å; F118-D120 VanDerWaalsContact O-N 3.14Å; D120-S122 PolarHBondContact O-N 3.13Å
121	M	94.5	Very high	96.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.223	C	C	.	.			trans	-95.6	55.5	-174.3	-57	-168.7	-48.7	0	0	112.3	F94 L103 F118 N123 L124 L145	F94-M121 HydrophobicContact CB-SD 3.97Å; F94-M121 HydrophobicContact CG-SD 4.48Å; L103-M121 HydrophobicContact CD2-CE 3.95Å; L103-M121 HydrophobicContact CD2-SD 4.14Å; F118-M121 HydrophobicContact CB-CE 3.51Å; F118-M121 HydrophobicContact CD1-CE 3.17Å; F118-M121 HydrophobicContact CD1-SD 4.38Å; F118-M121 HydrophobicContact CE1-CE 4.09Å; F118-M121 HydrophobicContact CG-CE 3.63Å; F118-M121 PolarHBondContact O-N 2.92Å; F118-M121 VanDerWaalsContact O-N 3.07Å; M121-N123 PolarHBondContact O-N 3.01Å; M121-N123 VanDerWaalsContact O-N 3.13Å; M121-L124 HydrophobicContact CB-CB 4.17Å; M121-L124 HydrophobicContact CE-CD1 4.47Å; M121-L124 HydrophobicContact CE-CD2 3.8Å; M121-L124 VanDerWaalsContact O-CB 3.31Å; M121-L124 WeakPolarHBondContact O-CB 3.46Å; M121-L124 PolarHBondContact O-N 3.2Å; M121-L145 HydrophobicContact CB-CD2 4.07Å; M121-L145 HydrophobicContact CE-CD2 4.26Å; M121-L145 WeakPolarHBondContact O-CD2 3.44Å
122	S	94.4	Very high	96.3	Very high	47 Å²	47	38.8 Å²	38.8	33%	0.329	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	-174.1	62.1	0	0	0	0	115.2	D120 G144 S147	D120-S122 PolarHBondContact O-N 3.13Å; S122-G144 WeakPolarHBondContact CA-O 3.28Å; S122-S147 WeakPolarHBondContact O-CB 3.47Å; S122-S147 PolarHBondContact O-OG 3.2Å
123	N	96.8	Very high	96.5	Very high	79 Å²	79	37.8 Å²	37.8	42%	0.422	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.8	178.4	-65.1	-19.8	0	0	0	113.1	S98 L100 M121 T125	S98-N123 WeakPolarHBondContact O-CB 3.48Å; S98-N123 PolarHBondContact O-ND2 2.83Å; L100-N123 CarbonylContact O-C 3.17Å; L100-N123 VanDerWaalsContact O-C 3.29Å; M121-N123 PolarHBondContact O-N 3.01Å; M121-N123 VanDerWaalsContact O-N 3.13Å; N123-T125 WeakPolarHBondContact O-CG2 3.33Å; N123-T125 PolarHBondContact O-N 3.2Å
124	L	98.1	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.			trans	-64.4	126.1	-177.7	-157.5	80.9	0	0	0	109.9	L100 L103 M121 L127 L145 S147 L148	L100-L124 HydrophobicContact CB-CD1 4.1Å; L100-L124 WeakPolarHBondContact O-CA 3.49Å; L100-L124 PolarHBondContact O-N 2.81Å; L103-L124 HydrophobicContact CB-CD1 3.86Å; L103-L124 HydrophobicContact CB-CD2 4.31Å; M121-L124 HydrophobicContact CB-CB 4.17Å; M121-L124 HydrophobicContact CE-CD1 4.47Å; M121-L124 HydrophobicContact CE-CD2 3.8Å; M121-L124 VanDerWaalsContact O-CB 3.31Å; M121-L124 WeakPolarHBondContact O-CB 3.46Å; M121-L124 PolarHBondContact O-N 3.2Å; L124-L127 HydrophobicContact CD2-CB 3.78Å; L124-L127 HydrophobicContact CD2-CD1 4.22Å; L124-L127 HydrophobicContact CD2-CG 4.39Å; L124-L145 HydrophobicContact CB-CD2 4.08Å; L124-L145 HydrophobicContact CD2-CD2 4.29Å; L124-S147 CarbonylContact O-C 3.49Å; L124-L148 HydrophobicContact CB-CD1 4.36Å; L124-L148 HydrophobicContact CD2-CD1 3.89Å; L124-L148 HydrophobicContact CG-CD1 4.18Å; L124-L148 WeakPolarHBondContact O-CA 3.48Å; L124-L148 PolarHBondContact O-N 3.42Å; L124-L148 VanDerWaalsContact O-N 3.11Å
125	T	98.6	Very high	96.6	Very high	41 Å²	41	39 Å²	39	25%	0.252	21%	0.213	S	C	.	.			trans	-108.4	-28.5	179	67.4	0	0	0	0	112.2	E101 N123 Q149 S150	E101-T125 WeakPolarHBondContact O-CA 3.22Å; E101-T125 PolarHBondContact O-N 3.23Å; E101-T125 PolarHBondContact O-OG1 2.86Å; N123-T125 WeakPolarHBondContact O-CG2 3.33Å; N123-T125 PolarHBondContact O-N 3.2Å; T125-Q149 WeakPolarHBondContact O-CA 3.3Å; T125-Q149 PolarHBondContact O-N 3.34Å; T125-S150 PolarHBondContact O-N 2.99Å
126	R	98.8	Very high	96.5	Very high	102 Å²	102	41 Å²	41	39%	0.385	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.7	178.4	-176.2	-178.4	-53.4	-73.6	-3.1	110.9	E101 E102 L103 T128 S150	E101-R126 PolarHBondContact O-N 3.24Å; E102-R126 WeakPolarHBondContact CA-O 3.34Å; E102-R126 HydrophobicContact CB-CB 4.38Å; E102-R126 HydrophobicContact CG-CB 4.1Å; E102-R126 HydrophobicContact CG-CG 4.32Å; E102-R126 WeakPolarHBondContact OE1-CD 3.26Å; E102-R126 IonicContact OE2-NE 3.98Å; L103-R126 PolarHBondContact N-O 3.05Å; R126-T128 HydrophobicContact CG-CG2 4.26Å; R126-S150 WeakPolarHBondContact CA-O 3.41Å; R126-S150 PolarHBondContact NH1-OG 3.14Å
127	L	98.8	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.6	171.7	179.9	56.1	0	0	0	109.4	L103 F118 L124 L129 F142 L145 L148 S150 L151 D152	L103-L127 HydrophobicContact CB-CD1 4.16Å; L103-L127 HydrophobicContact CD2-CD1 3.98Å; L103-L127 HydrophobicContact CG-CD1 4.1Å; F118-L127 HydrophobicContact CD2-CD2 4Å; F118-L127 HydrophobicContact CE1-CD1 4.4Å; F118-L127 HydrophobicContact CE2-CD2 3.76Å; F118-L127 HydrophobicContact CZ-CD1 4.18Å; F118-L127 HydrophobicContact CZ-CD2 4.13Å; L124-L127 HydrophobicContact CD2-CB 3.78Å; L124-L127 HydrophobicContact CD2-CD1 4.22Å; L124-L127 HydrophobicContact CD2-CG 4.39Å; L127-L129 HydrophobicContact CD1-CD1 4.4Å; L127-L129 HydrophobicContact CD1-CG 4.29Å; L127-L129 HydrophobicContact CD2-CD1 4.02Å; L127-L129 HydrophobicContact CG-CD1 4.09Å; L127-L129 HydrophobicContact CG-CG 4.3Å; L127-F142 HydrophobicContact CD2-CD1 4.2Å; L127-F142 HydrophobicContact CD2-CE1 3.93Å; L127-L145 HydrophobicContact CD2-CD1 4.13Å; L127-L148 HydrophobicContact CB-CD1 3.94Å; L127-S150 PolarHBondContact N-O 3Å; L127-L151 HydrophobicContact CB-CD1 4.02Å; L127-L151 HydrophobicContact CD2-CD1 3.91Å; L127-L151 HydrophobicContact CG-CD1 4Å; L127-L151 WeakPolarHBondContact O-CA 3.32Å; L127-D152 PolarHBondContact O-N 3.12Å
128	T	98.7	Very high	96.6	Very high	17 Å²	17	43.9 Å²	43.9	10%	0.104	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.1	175.5	49.8	0	0	0	0	111	L103 D104 L105 S106 R126 D152	L103-T128 PolarHBondContact O-N 3.3Å; D104-T128 WeakPolarHBondContact CA-OG1 3.37Å; D104-T128 VanDerWaalsContact CB-OG1 3.28Å; D104-T128 WeakPolarHBondContact CB-OG1 3.14Å; D104-T128 PolarHBondContact OD1-OG1 3.44Å; L105-T128 CarbonylContact C-O 3.17Å; L105-T128 PolarHBondContact N-O 3.06Å; S106-T128 PolarHBondContact N-O 3.47Å; R126-T128 HydrophobicContact CG-CG2 4.26Å; T128-D152 HydrophobicContact CG2-CB 3.95Å
129	L	98.6	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.			trans	-126.6	14.5	180	-75.4	163.8	0	0	0	111.3	L105 L110 L113 F118 L127 N132 L134 F142 D152 L153 N156	L105-L129 HydrophobicContact CB-CD2 3.77Å; L105-L129 HydrophobicContact CD1-CD2 3.95Å; L110-L129 HydrophobicContact CD1-CD2 4.23Å; L113-L129 HydrophobicContact CD1-CD1 3.98Å; L113-L129 HydrophobicContact CD1-CD2 4.05Å; F118-L129 HydrophobicContact CE2-CD1 4.27Å; F118-L129 HydrophobicContact CZ-CD1 4.34Å; L127-L129 HydrophobicContact CD1-CD1 4.4Å; L127-L129 HydrophobicContact CD1-CG 4.29Å; L127-L129 HydrophobicContact CD2-CD1 4.02Å; L127-L129 HydrophobicContact CG-CD1 4.09Å; L127-L129 HydrophobicContact CG-CG 4.3Å; L129-N132 PolarHBondContact O-ND2 2.82Å; L129-L134 HydrophobicContact CB-CD1 4.46Å; L129-F142 HydrophobicContact CD1-CE1 4.46Å; L129-D152 CarbonylContact C-O 3.06Å; L129-D152 WeakPolarHBondContact CA-O 3.35Å; L129-D152 WeakPolarHBondContact CB-O 3.45Å; L129-D152 PolarHBondContact N-O 3.14Å; L129-L153 HydrophobicContact CB-CD2 3.97Å; L129-L153 HydrophobicContact CD1-CD2 3.83Å; L129-N156 PolarHBondContact O-ND2 3.22Å
130	H	98.2	Very high	96.6	Very high	45 Å²	45	49.3 Å²	49.3	21%	0.208	26%	0.256	C	S	.	.			trans	-64.4	154.9	-176.3	71.9	-104.3	0	0	0	113	S106 N107 N132 D152 S154	S106-H130 CarbonylContact C-O 3.5Å; S106-H130 VanDerWaalsContact CA-O 3.23Å; S106-H130 WeakPolarHBondContact CA-O 3.45Å; S106-H130 WeakPolarHBondContact CB-CE1 3.49Å; S106-H130 WeakPolarHBondContact CB-NE2 3.18Å; S106-H130 WeakPolarHBondContact CB-O 3.32Å; N107-H130 PolarHBondContact N-O 3.18Å; N107-H130 PolarHBondContact ND2-NE2 2.98Å; N107-H130 VanDerWaalsContact ND2-NE2 3.17Å; H130-N132 PolarHBondContact O-ND2 3.49Å; H130-D152 WeakPolarHBondContact CB-OD2 3.32Å; H130-D152 IonicContact CG-OD2 2.65Å; H130-D152 PolarHBondContact N-O 3.26Å; H130-D152 IonicContact ND1-OD2 3.28Å; H130-D152 PolarHBondContact ND1-OD2 3.4Å; H130-S154 CarbonylContact C-O 3.49Å; H130-S154 WeakPolarHBondContact CA-O 3.22Å; H130-S154 WeakPolarHBondContact CB-O 3.31Å; H130-S154 VanDerWaalsContact CB-OG 3.27Å; H130-S154 WeakPolarHBondContact CB-OG 3.32Å
131	N	98.4	Very high	96.9	Very high	75 Å²	75	45.6 Å²	45.6	40%	0.401	24%	0.236	S	C	.	.	S	Bend	trans	53.8	55.3	179.1	-162.7	26	0	0	0	111.8	N107 N108 S154 L155	N107-N131 VanDerWaalsContact CA-O 3.25Å; N107-N131 WeakPolarHBondContact CA-O 3.37Å; N107-N131 PolarHBondContact N-O 3.3Å; N107-N131 WeakPolarHBondContact OD1-CB 3.37Å; N107-N131 PolarHBondContact OD1-ND2 3.37Å; N108-N131 PolarHBondContact N-O 3.33Å; N131-S154 PolarHBondContact N-O 2.92Å; N131-L155 WeakPolarHBondContact CA-O 3.29Å; N131-L155 HydrophobicContact CB-CB 4.18Å; N131-L155 HydrophobicContact CB-CD1 4.38Å; N131-L155 PolarHBondContact N-O 2.78Å
132	N	98.6	Very high	97	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.053	24%	0.237	C	C	.	.	S	Bend	trans	-119.6	-168	169.2	-85.8	-77.8	0	0	0	108.6	L105 N108 Y109 L110 L129 H130 L134 L155 N156	L105-N132 PolarHBondContact O-ND2 3.06Å; N108-N132 WeakPolarHBondContact CA-OD1 3.37Å; N108-N132 WeakPolarHBondContact CB-OD1 3.07Å; N108-N132 PolarHBondContact N-OD1 3.48Å; N108-N132 PolarHBondContact O-OD1 3.47Å; Y109-N132 PolarHBondContact N-OD1 3.36Å; L110-N132 HydrophobicContact CB-CB 4.24Å; L110-N132 WeakPolarHBondContact CB-OD1 3.24Å; L110-N132 WeakPolarHBondContact CG-OD1 3.12Å; L110-N132 PolarHBondContact N-OD1 3.07Å; L129-N132 PolarHBondContact O-ND2 2.82Å; H130-N132 PolarHBondContact O-ND2 3.49Å; N132-L134 HydrophobicContact CB-CG 4.27Å; N132-L155 PolarHBondContact N-O 2.89Å; N132-N156 WeakPolarHBondContact CA-OD1 3.38Å; N132-N156 WeakPolarHBondContact CB-OD1 3.33Å; N132-N156 PolarHBondContact N-OD1 3.49Å; N132-N156 PolarHBondContact O-OD1 3.24Å
133	S	97.7	Very high	97	Very high	58 Å²	58	46.4 Å²	46.4	41%	0.406	24%	0.235	S	C	.	.			trans	-114.1	26.8	-179.3	-62.6	0	0	0	0	112.6	L110 D111 T135 N156	L110-S133 CarbonylContact O-C 3.13Å; L110-S133 VanDerWaalsContact O-CA 3.28Å; L110-S133 WeakPolarHBondContact O-CA 3.4Å; L110-S133 PolarHBondContact O-N 3.47Å; D111-S133 WeakPolarHBondContact CA-O 3.33Å; S133-T135 PolarHBondContact O-N 3.03Å; S133-N156 PolarHBondContact N-OD1 3.17Å
134	L	97.9	Very high	96.8	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	22%	0.222	C	C	.	.			trans	-66	116.5	-174.1	-59.5	174.9	0	0	0	110.7	L110 D111 L113 L129 N132 L153 N156 G157 L158	L110-L134 HydrophobicContact CB-CD2 4.13Å; L110-L134 WeakPolarHBondContact O-CD2 3.24Å; L110-L134 PolarHBondContact O-N 2.97Å; L110-L134 VanDerWaalsContact O-N 3.17Å; D111-L134 WeakPolarHBondContact O-CA 3.36Å; L113-L134 HydrophobicContact CD1-CD1 4.03Å; L113-L134 HydrophobicContact CD1-CD2 4.04Å; L113-L134 HydrophobicContact CG-CD2 3.79Å; L129-L134 HydrophobicContact CB-CD1 4.46Å; N132-L134 HydrophobicContact CB-CG 4.27Å; L134-L153 HydrophobicContact CD1-CD2 4.26Å; L134-N156 HydrophobicContact CB-CB 4.2Å; L134-N156 VanDerWaalsContact CB-OD1 3.32Å; L134-N156 WeakPolarHBondContact CB-OD1 3.45Å; L134-N156 WeakPolarHBondContact CG-OD1 3.49Å; L134-N156 PolarHBondContact N-OD1 3.09Å; L134-G157 CarbonylContact O-C 3.51Å; L134-G157 WeakPolarHBondContact O-CA 3.44Å; L134-G157 PolarHBondContact O-N 2.8Å; L134-L158 HydrophobicContact CB-CD2 4.13Å; L134-L158 PolarHBondContact O-N 3.06Å; L134-L158 VanDerWaalsContact O-N 3.11Å
135	T	95.9	Very high	96.7	Very high	70 Å²	70	43.3 Å²	43.3	43%	0.429	22%	0.222	S	C	.	.			trans	-101.5	-30.3	177.7	53	0	0	0	0	113.1	D111 S133	D111-T135 PolarHBondContact O-N 2.89Å; S133-T135 PolarHBondContact O-N 3.03Å
136	V	93.8	Very high	96.6	Very high	89 Å²	89	44.4 Å²	44.4	54%	0.539	23%	0.229	S	C	.	.			trans	-129.9	142.6	-178.1	-178.6	0	0	0	0	108.7
137	M	94.8	Very high	96.6	Very high	11 Å²	11	41.4 Å²	41.4	5%	0.054	22%	0.223	C	C	.	.			trans	-115.3	129.7	174.7	-178.7	-175.2	-68.3	0	0	108.7	L141 F142 L153 L158 I161 P162	M137-L141 HydrophobicContact CG-CD2 3.97Å; M137-F142 HydrophobicContact CE-CE2 3.65Å; M137-F142 HydrophobicContact CE-CZ 3.96Å; M137-F142 HydrophobicContact CG-CE2 4.36Å; M137-F142 HydrophobicContact SD-CD2 4.27Å; M137-F142 HydrophobicContact SD-CE2 3.5Å; M137-F142 VanDerWaalsContact SD-CE2 3.5Å; M137-F142 HydrophobicContact SD-CZ 4.29Å; M137-L153 HydrophobicContact CE-CD1 3.48Å; M137-L153 VanDerWaalsContact CE-CD1 3.48Å; M137-L153 HydrophobicContact CE-CD2 4.32Å; M137-L158 HydrophobicContact CB-CD2 4.27Å; M137-L158 HydrophobicContact CE-CD1 3.92Å; M137-I161 HydrophobicContact CE-CD1 4.4Å; M137-P162 HydrophobicContact CB-CG 4.31Å; M137-P162 WeakPolarHBondContact O-CG 3.47Å
138	D	94.9	Very high	96.5	Very high	68 Å²	68	41.4 Å²	41.4	36%	0.364	22%	0.223	S	C	.	.			trans	-76.5	144.6	172.6	-168.6	-82.2	0	0	0	110.6	A115 E140 L141	A115-D138 HydrophobicContact CB-CB 4.42Å; A115-D138 WeakPolarHBondContact CB-OD1 3.18Å; D138-E140 PolarHBondContact O-N 2.91Å; D138-E140 PolarHBondContact OD1-N 3.25Å; D138-L141 HydrophobicContact CB-CB 4.42Å; D138-L141 VanDerWaalsContact O-CB 3.28Å; D138-L141 WeakPolarHBondContact O-CB 3.2Å; D138-L141 PolarHBondContact O-N 3.21Å
139	R	95.4	Very high	96.5	Very high	146 Å²	146	44.2 Å²	44.2	55%	0.551	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.2	-180	-176.1	177.1	179.9	-114	-7.7	112.5	V163 S165	R139-V163 PolarHBondContact NE-O 3.28Å; R139-S165 WeakPolarHBondContact O-CA 3.12Å
140	E	95.4	Very high	96.6	Very high	88 Å²	88	44.7 Å²	44.7	41%	0.411	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	6.8	-178.8	-59.1	-173.9	-177.5	0	0	112.8	A115 G116 R119 D138 F142 Q143	A115-E140 HydrophobicContact CB-CB 4.31Å; G116-E140 WeakPolarHBondContact CA-O 3.39Å; G116-E140 PolarHBondContact N-O 3.33Å; G116-E140 VanDerWaalsContact N-O 3.13Å; R119-E140 IonicContact NH2-OE2 3.23Å; R119-E140 PolarHBondContact NH2-OE2 2.98Å; D138-E140 PolarHBondContact O-N 2.91Å; D138-E140 PolarHBondContact OD1-N 3.25Å; E140-F142 PolarHBondContact O-N 3.35Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 3.47Å
141	L	96.2	Very high	96.6	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-44.1	-174.9	179.7	61.1	0	0	0	112.8	L113 L117 F118 M137 D138	L113-L141 HydrophobicContact CB-CD1 3.54Å; L113-L141 HydrophobicContact CB-CD2 4.25Å; L113-L141 HydrophobicContact CD1-CD1 4.16Å; L113-L141 HydrophobicContact CD1-CD2 3.99Å; L113-L141 HydrophobicContact CG-CD1 4.5Å; L117-L141 HydrophobicContact CB-CD1 4.24Å; F118-L141 HydrophobicContact CD2-CD1 4.02Å; F118-L141 HydrophobicContact CD2-CG 4.29Å; F118-L141 WeakPolarHBondContact CD2-O 3.35Å; F118-L141 HydrophobicContact CE2-CD1 3.87Å; F118-L141 HydrophobicContact CE2-CG 4.23Å; M137-L141 HydrophobicContact CG-CD2 3.97Å; D138-L141 HydrophobicContact CB-CB 4.42Å; D138-L141 VanDerWaalsContact O-CB 3.28Å; D138-L141 WeakPolarHBondContact O-CB 3.2Å; D138-L141 PolarHBondContact O-N 3.21Å
142	F	96.6	Very high	96.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	12	-176.8	-55.2	-52.8	0	0	0	113.8	F118 L127 L129 M137 E140 L145 L151 L153 L169	F118-F142 HydrophobicContact CD2-CD1 4.22Å; F118-F142 HydrophobicContact CD2-CE1 4.44Å; F118-F142 HydrophobicContact CE2-CE1 4.33Å; L127-F142 HydrophobicContact CD2-CD1 4.2Å; L127-F142 HydrophobicContact CD2-CE1 3.93Å; L129-F142 HydrophobicContact CD1-CE1 4.46Å; M137-F142 HydrophobicContact CE-CE2 3.65Å; M137-F142 HydrophobicContact CE-CZ 3.96Å; M137-F142 HydrophobicContact CG-CE2 4.36Å; M137-F142 HydrophobicContact SD-CD2 4.27Å; M137-F142 HydrophobicContact SD-CE2 3.5Å; M137-F142 VanDerWaalsContact SD-CE2 3.5Å; M137-F142 HydrophobicContact SD-CZ 4.29Å; E140-F142 PolarHBondContact O-N 3.35Å; F142-L145 HydrophobicContact CB-CD1 4.11Å; F142-L145 HydrophobicContact CD1-CD1 3.89Å; F142-L145 HydrophobicContact CG-CD1 4.47Å; F142-L145 WeakPolarHBondContact O-CB 3.18Å; F142-L145 PolarHBondContact O-N 3.42Å; F142-L151 HydrophobicContact CD2-CD2 4.37Å; F142-L151 HydrophobicContact CE1-CD1 4.1Å; F142-L151 HydrophobicContact CE1-CD2 4.31Å; F142-L151 HydrophobicContact CE2-CD2 3.97Å; F142-L151 HydrophobicContact CZ-CD1 4.23Å; F142-L151 HydrophobicContact CZ-CD2 3.96Å; F142-L153 HydrophobicContact CE2-CD1 4.17Å; F142-L153 HydrophobicContact CZ-CD1 3.9Å; F142-L153 HydrophobicContact CZ-CD2 4.14Å; F142-L153 HydrophobicContact CZ-CG 4.48Å; F142-L169 HydrophobicContact CB-CD1 4.26Å; F142-L169 HydrophobicContact CB-CD2 4.18Å; F142-L169 HydrophobicContact CB-CG 4.48Å; F142-L169 HydrophobicContact CD2-CD1 4.38Å; F142-L169 HydrophobicContact CG-CD1 4.46Å
143	Q	94.6	Very high	96.6	Very high	63 Å²	63	39.3 Å²	39.3	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	141.6	175.4	-162.4	178	19.2	0	0	110.3	R119 E140 L145 E168	R119-Q143 VanDerWaalsContact CA-O 3.3Å; R119-Q143 WeakPolarHBondContact CA-O 3.43Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 3.47Å; Q143-L145 VanDerWaalsContact C-N 3.3Å; Q143-L145 PolarHBondContact O-N 3.1Å; Q143-E168 WeakPolarHBondContact CG-OE1 3.14Å
144	G	93.1	Very high	96.7	Very high	15 Å²	15	37.3 Å²	37.3	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-12.1	-179.1	0	0	0	0	0	114.8	S122 V146 E168	S122-G144 WeakPolarHBondContact CA-O 3.28Å; G144-V146 PolarHBondContact O-N 3.44Å; G144-E168 PolarHBondContact N-OE2 2.81Å
145	L	96.4	Very high	96.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.			trans	-81	51.7	-178.2	-62.8	-173.5	0	0	0	113.2	F118 M121 L124 L127 F142 Q143 S147 L148 L169	F118-L145 HydrophobicContact CB-CD1 4Å; F118-L145 HydrophobicContact CB-CD2 3.96Å; F118-L145 HydrophobicContact CB-CG 4.11Å; F118-L145 HydrophobicContact CD2-CD1 4.4Å; F118-L145 HydrophobicContact CG-CD1 4.49Å; M121-L145 HydrophobicContact CB-CD2 4.07Å; M121-L145 HydrophobicContact CE-CD2 4.26Å; M121-L145 WeakPolarHBondContact O-CD2 3.44Å; L124-L145 HydrophobicContact CB-CD2 4.08Å; L124-L145 HydrophobicContact CD2-CD2 4.29Å; L127-L145 HydrophobicContact CD2-CD1 4.13Å; F142-L145 HydrophobicContact CB-CD1 4.11Å; F142-L145 HydrophobicContact CD1-CD1 3.89Å; F142-L145 HydrophobicContact CG-CD1 4.47Å; F142-L145 WeakPolarHBondContact O-CB 3.18Å; F142-L145 PolarHBondContact O-N 3.42Å; Q143-L145 VanDerWaalsContact C-N 3.3Å; Q143-L145 PolarHBondContact O-N 3.1Å; L145-S147 PolarHBondContact O-N 3.09Å; L145-L148 HydrophobicContact CB-CB 4.14Å; L145-L148 HydrophobicContact CB-CD2 4.41Å; L145-L148 HydrophobicContact CD1-CD2 4.04Å; L145-L148 WeakPolarHBondContact O-CB 3.33Å; L145-L148 PolarHBondContact O-N 3.37Å; L145-L169 HydrophobicContact CB-CD2 3.81Å
146	V	95.9	Very high	96.8	Very high	64 Å²	64	38.1 Å²	38.1	39%	0.388	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23	-172.8	-62.4	0	0	0	0	114.3	G144 H171	G144-V146 PolarHBondContact O-N 3.44Å; V146-H171 PolarHBondContact O-ND1 3.14Å
147	S	97.8	Very high	97	Very high	39 Å²	39	34.5 Å²	34.5	27%	0.273	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	2.2	-179.5	-55.6	0	0	0	0	113.7	S122 L124 L145 Q149	S122-S147 WeakPolarHBondContact O-CB 3.47Å; S122-S147 PolarHBondContact O-OG 3.2Å; L124-S147 CarbonylContact O-C 3.49Å; L145-S147 PolarHBondContact O-N 3.09Å; S147-Q149 PolarHBondContact O-N 3.1Å
148	L	98.6	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.			trans	-66.3	131.1	-172.2	-159.7	72.5	0	0	0	111.1	L124 L127 L145 L151 L169 H171 L172	L124-L148 HydrophobicContact CB-CD1 4.36Å; L124-L148 HydrophobicContact CD2-CD1 3.89Å; L124-L148 HydrophobicContact CG-CD1 4.18Å; L124-L148 WeakPolarHBondContact O-CA 3.48Å; L124-L148 PolarHBondContact O-N 3.42Å; L124-L148 VanDerWaalsContact O-N 3.11Å; L127-L148 HydrophobicContact CB-CD1 3.94Å; L145-L148 HydrophobicContact CB-CB 4.14Å; L145-L148 HydrophobicContact CB-CD2 4.41Å; L145-L148 HydrophobicContact CD1-CD2 4.04Å; L145-L148 WeakPolarHBondContact O-CB 3.33Å; L145-L148 PolarHBondContact O-N 3.37Å; L148-L151 HydrophobicContact CD2-CB 4.07Å; L148-L151 HydrophobicContact CD2-CD1 4.44Å; L148-L151 HydrophobicContact CD2-CD2 4.42Å; L148-L169 HydrophobicContact CB-CD2 4.11Å; L148-L169 HydrophobicContact CD2-CD1 4.44Å; L148-L169 HydrophobicContact CD2-CD2 3.88Å; L148-H171 CarbonylContact O-C 3.36Å; L148-L172 HydrophobicContact CB-CD1 4.46Å; L148-L172 HydrophobicContact CD2-CD1 4.04Å; L148-L172 HydrophobicContact CG-CD1 4.07Å; L148-L172 VanDerWaalsContact O-CA 3.27Å; L148-L172 WeakPolarHBondContact O-CA 3.41Å; L148-L172 PolarHBondContact O-N 2.99Å
149	Q	98.8	Very high	97.3	Very high	75 Å²	75	33.5 Å²	33.5	35%	0.35	18%	0.178	S	C	.	.			trans	-117.5	-28.9	-178.1	-64.1	179.8	34.6	0	0	112.4	T125 S147 R173 W174	T125-Q149 WeakPolarHBondContact O-CA 3.3Å; T125-Q149 PolarHBondContact O-N 3.34Å; S147-Q149 PolarHBondContact O-N 3.1Å; Q149-R173 PolarHBondContact O-N 3.18Å; Q149-W174 PolarHBondContact O-N 3.5Å
150	S	98.8	Very high	97.3	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.6	-178.6	-179.6	0	0	0	0	110.2	T125 R126 L127 W174	T125-S150 PolarHBondContact O-N 2.99Å; R126-S150 WeakPolarHBondContact CA-O 3.41Å; R126-S150 PolarHBondContact NH1-OG 3.14Å; L127-S150 PolarHBondContact N-O 3Å; S150-W174 WeakPolarHBondContact CA-O 3.3Å
151	L	98.8	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.8	177.5	177.4	57.2	0	0	0	109.8	L127 F142 L148 L153 L169 L172 W174 L175 S176	L127-L151 HydrophobicContact CB-CD1 4.02Å; L127-L151 HydrophobicContact CD2-CD1 3.91Å; L127-L151 HydrophobicContact CG-CD1 4Å; L127-L151 WeakPolarHBondContact O-CA 3.32Å; F142-L151 HydrophobicContact CD2-CD2 4.37Å; F142-L151 HydrophobicContact CE1-CD1 4.1Å; F142-L151 HydrophobicContact CE1-CD2 4.31Å; F142-L151 HydrophobicContact CE2-CD2 3.97Å; F142-L151 HydrophobicContact CZ-CD1 4.23Å; F142-L151 HydrophobicContact CZ-CD2 3.96Å; L148-L151 HydrophobicContact CD2-CB 4.07Å; L148-L151 HydrophobicContact CD2-CD1 4.44Å; L148-L151 HydrophobicContact CD2-CD2 4.42Å; L151-L153 HydrophobicContact CD1-CD1 4.3Å; L151-L153 HydrophobicContact CD1-CG 4.07Å; L151-L153 HydrophobicContact CD2-CD1 3.87Å; L151-L153 HydrophobicContact CG-CD1 3.98Å; L151-L153 HydrophobicContact CG-CG 4.1Å; L151-L169 HydrophobicContact CD2-CD1 4.12Å; L151-L172 HydrophobicContact CB-CD1 3.79Å; L151-L172 HydrophobicContact CB-CD2 4.48Å; L151-W174 PolarHBondContact N-O 3.43Å; L151-W174 WeakPolarHBondContact O-CZ3 3.3Å; L151-L175 HydrophobicContact CB-CD1 4.09Å; L151-L175 HydrophobicContact CD2-CD1 3.98Å; L151-L175 HydrophobicContact CG-CD1 4Å; L151-L175 WeakPolarHBondContact O-CA 3.25Å; L151-S176 PolarHBondContact O-N 3.03Å
152	D	98.9	Very high	97.3	Very high	18 Å²	18	28.4 Å²	28.4	10%	0.096	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113	176.1	-166.1	-4.9	0	0	0	110.8	L127 T128 L129 H130 S154 W174	L127-D152 PolarHBondContact O-N 3.12Å; T128-D152 HydrophobicContact CG2-CB 3.95Å; L129-D152 CarbonylContact C-O 3.06Å; L129-D152 WeakPolarHBondContact CA-O 3.35Å; L129-D152 WeakPolarHBondContact CB-O 3.45Å; L129-D152 PolarHBondContact N-O 3.14Å; H130-D152 WeakPolarHBondContact CB-OD2 3.32Å; H130-D152 IonicContact CG-OD2 2.65Å; H130-D152 PolarHBondContact N-O 3.26Å; H130-D152 IonicContact ND1-OD2 3.28Å; H130-D152 PolarHBondContact ND1-OD2 3.4Å; D152-S154 VanDerWaalsContact OD1-CB 3.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.31Å; D152-S154 PolarHBondContact OD1-N 3.09Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-W174 HydrophobicContact CB-CH2 4.03Å; D152-W174 HydrophobicContact CB-CZ3 3.66Å
153	L	98.6	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.			trans	-121.2	16.2	175.8	-71	163.3	0	0	0	110.9	L129 L134 M137 F142 L151 N156 L158 S176 L177 N180	L129-L153 HydrophobicContact CB-CD2 3.97Å; L129-L153 HydrophobicContact CD1-CD2 3.83Å; L134-L153 HydrophobicContact CD1-CD2 4.26Å; M137-L153 HydrophobicContact CE-CD1 3.48Å; M137-L153 VanDerWaalsContact CE-CD1 3.48Å; M137-L153 HydrophobicContact CE-CD2 4.32Å; F142-L153 HydrophobicContact CE2-CD1 4.17Å; F142-L153 HydrophobicContact CZ-CD1 3.9Å; F142-L153 HydrophobicContact CZ-CD2 4.14Å; F142-L153 HydrophobicContact CZ-CG 4.48Å; L151-L153 HydrophobicContact CD1-CD1 4.3Å; L151-L153 HydrophobicContact CD1-CG 4.07Å; L151-L153 HydrophobicContact CD2-CD1 3.87Å; L151-L153 HydrophobicContact CG-CD1 3.98Å; L151-L153 HydrophobicContact CG-CG 4.1Å; L153-N156 PolarHBondContact O-ND2 3.46Å; L153-N156 VanDerWaalsContact O-ND2 3.14Å; L153-L158 HydrophobicContact CB-CD1 4.39Å; L153-S176 CarbonylContact C-O 3.46Å; L153-S176 WeakPolarHBondContact CA-O 3.39Å; L153-S176 WeakPolarHBondContact CB-O 3.4Å; L153-S176 PolarHBondContact N-O 3.16Å; L153-L177 HydrophobicContact CB-CD2 3.85Å; L153-L177 HydrophobicContact CD1-CD2 3.81Å; L153-N180 PolarHBondContact O-ND2 3.46Å
154	S	98.8	Very high	97.3	Very high	15 Å²	15	28.7 Å²	28.7	11%	0.105	18%	0.178	C	C	.	.			trans	-65	161.2	-177.9	63.2	0	0	0	0	112.4	H130 N131 D152 N156 S176 A178	H130-S154 CarbonylContact C-O 3.49Å; H130-S154 WeakPolarHBondContact CA-O 3.22Å; H130-S154 WeakPolarHBondContact CB-O 3.31Å; H130-S154 VanDerWaalsContact CB-OG 3.27Å; H130-S154 WeakPolarHBondContact CB-OG 3.32Å; N131-S154 PolarHBondContact N-O 2.92Å; D152-S154 VanDerWaalsContact OD1-CB 3.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.31Å; D152-S154 PolarHBondContact OD1-N 3.09Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; S154-N156 VanDerWaalsContact C-N 3.3Å; S154-N156 PolarHBondContact O-N 2.67Å; S154-N156 PolarHBondContact O-ND2 2.69Å; S154-S176 PolarHBondContact N-O 3.46Å; S154-A178 CarbonylContact C-O 3.48Å; S154-A178 WeakPolarHBondContact CA-O 3.47Å; S154-A178 VanDerWaalsContact CB-O 3.25Å; S154-A178 WeakPolarHBondContact CB-O 3.38Å
155	L	98.5	Very high	97.5	Very high	80 Å²	80	28.1 Å²	28.1	42%	0.419	17%	0.172	S	C	.	.	S	Bend	trans	53.9	46.6	176.9	-56.3	173.2	0	0	0	112.3	N131 N132 A178 G179	N131-L155 WeakPolarHBondContact CA-O 3.29Å; N131-L155 HydrophobicContact CB-CB 4.18Å; N131-L155 HydrophobicContact CB-CD1 4.38Å; N131-L155 PolarHBondContact N-O 2.78Å; N132-L155 PolarHBondContact N-O 2.89Å; L155-A178 PolarHBondContact N-O 3.44Å; L155-G179 WeakPolarHBondContact CA-O 3.09Å
156	N	98.7	Very high	97.4	Very high	14 Å²	14	28.1 Å²	28.1	8%	0.075	17%	0.172	C	C	.	.	S	Bend	trans	-118.5	-168.2	173.6	-85.5	-79.6	0	0	0	109.7	L129 N132 S133 L134 L153 S154 L158 N180	L129-N156 PolarHBondContact O-ND2 3.22Å; N132-N156 WeakPolarHBondContact CA-OD1 3.38Å; N132-N156 WeakPolarHBondContact CB-OD1 3.33Å; N132-N156 PolarHBondContact N-OD1 3.49Å; N132-N156 PolarHBondContact O-OD1 3.24Å; S133-N156 PolarHBondContact N-OD1 3.17Å; L134-N156 HydrophobicContact CB-CB 4.2Å; L134-N156 VanDerWaalsContact CB-OD1 3.32Å; L134-N156 WeakPolarHBondContact CB-OD1 3.45Å; L134-N156 WeakPolarHBondContact CG-OD1 3.49Å; L134-N156 PolarHBondContact N-OD1 3.09Å; L153-N156 PolarHBondContact O-ND2 3.46Å; L153-N156 VanDerWaalsContact O-ND2 3.14Å; S154-N156 VanDerWaalsContact C-N 3.3Å; S154-N156 PolarHBondContact O-N 2.67Å; S154-N156 PolarHBondContact O-ND2 2.69Å; N156-L158 HydrophobicContact CB-CG 4.36Å; N156-N180 WeakPolarHBondContact CA-OD1 3.48Å; N156-N180 WeakPolarHBondContact CB-OD1 3.4Å; N156-N180 PolarHBondContact O-OD1 3.35Å
157	G	97.9	Very high	97.4	Very high	13 Å²	13	28.3 Å²	28.3	13%	0.134	17%	0.171	C	C	.	.			trans	-109	18.3	179.5	0	0	0	0	0	114.3	L134 S159 N180	L134-G157 CarbonylContact O-C 3.51Å; L134-G157 WeakPolarHBondContact O-CA 3.44Å; L134-G157 PolarHBondContact O-N 2.8Å; G157-S159 PolarHBondContact O-N 2.98Å; G157-N180 PolarHBondContact N-OD1 2.88Å
158	L	98.1	Very high	97.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.174	C	C	.	.			trans	-65.2	125.8	-170.5	-61.9	172.3	0	0	0	110.9	L134 M137 L153 N156 I161 L177 N180 R181 L182	L134-L158 HydrophobicContact CB-CD2 4.13Å; L134-L158 PolarHBondContact O-N 3.06Å; L134-L158 VanDerWaalsContact O-N 3.11Å; M137-L158 HydrophobicContact CB-CD2 4.27Å; M137-L158 HydrophobicContact CE-CD1 3.92Å; L153-L158 HydrophobicContact CB-CD1 4.39Å; N156-L158 HydrophobicContact CB-CG 4.36Å; L158-I161 HydrophobicContact CD1-CD1 4.28Å; L158-L177 HydrophobicContact CD1-CD2 4.31Å; L158-N180 HydrophobicContact CB-CB 4.27Å; L158-N180 WeakPolarHBondContact CB-OD1 3.31Å; L158-N180 WeakPolarHBondContact CG-OD1 3.49Å; L158-N180 PolarHBondContact N-OD1 3.4Å; L158-R181 CarbonylContact O-C 3.51Å; L158-R181 WeakPolarHBondContact O-CA 3.49Å; L158-R181 PolarHBondContact O-N 3.22Å; L158-L182 HydrophobicContact CB-CD2 4.5Å; L158-L182 PolarHBondContact O-N 3.01Å
159	S	96.5	Very high	97.2	Very high	56 Å²	56	29.9 Å²	29.9	39%	0.392	17%	0.174	S	C	.	.			trans	-96.5	-23.7	176.9	56.3	0	0	0	0	113.7	G157	G157-S159 PolarHBondContact O-N 2.98Å
160	T	95.8	Very high	97.1	Very high	86 Å²	86	31.5 Å²	31.5	53%	0.528	18%	0.181	S	C	.	.			trans	-148.4	150.8	-176.6	55.6	0	0	0	0	110.7
161	I	97.1	Very high	97	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.062	20%	0.2	C	C	.	.			trans	-107.7	114.5	169.8	-54.7	-57.7	0	0	0	108.3	M137 L158 V163 M166 L177 L182 L185 A189	M137-I161 HydrophobicContact CE-CD1 4.4Å; L158-I161 HydrophobicContact CD1-CD1 4.28Å; I161-V163 PolarHBondContact O-N 2.99Å; I161-M166 HydrophobicContact CG2-CE 3.92Å; I161-L177 HydrophobicContact CD1-CD1 4.17Å; I161-L177 HydrophobicContact CD1-CD2 3.86Å; I161-L177 HydrophobicContact CG1-CD1 4.2Å; I161-L182 HydrophobicContact CD1-CD2 4.15Å; I161-L182 HydrophobicContact CG1-CD2 4.06Å; I161-L185 HydrophobicContact CB-CD2 4.28Å; I161-L185 HydrophobicContact CG1-CD2 3.72Å; I161-A189 HydrophobicContact CG2-CB 4.18Å
162	P	96	Very high	97	Very high	34 Å²	34	35.9 Å²	35.9	22%	0.221	20%	0.2	C	C	.	.			trans	-63	133.7	-179.1	-16	25.4	0	0	0	111.6	M137 G164 S165	M137-P162 HydrophobicContact CB-CG 4.31Å; M137-P162 WeakPolarHBondContact O-CG 3.47Å; P162-G164 PolarHBondContact O-N 3.03Å; P162-S165 VanDerWaalsContact O-CB 3.3Å; P162-S165 WeakPolarHBondContact O-CB 3.5Å; P162-S165 PolarHBondContact O-N 2.99Å; P162-S165 VanDerWaalsContact O-N 3.13Å; P162-S165 PolarHBondContact O-OG 3.21Å
163	V	95.8	Very high	97	Very high	60 Å²	60	40.7 Å²	40.7	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	132.1	172.1	-179.6	0	0	0	0	109.8	R139 I161 E186 A188	R139-V163 PolarHBondContact NE-O 3.28Å; I161-V163 PolarHBondContact O-N 2.99Å; V163-E186 HydrophobicContact CG2-CB 4.21Å; V163-E186 WeakPolarHBondContact CG2-OE2 3.22Å; V163-A188 HydrophobicContact CG1-CB 3.79Å; V163-A188 HydrophobicContact CG2-CB 4.28Å
164	G	95.3	Very high	97	Very high	10 Å²	10	43.8 Å²	43.8	10%	0.103	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-5.7	-177.4	0	0	0	0	0	115.5	P162 M166 D167	P162-G164 PolarHBondContact O-N 3.03Å; G164-M166 PolarHBondContact O-N 2.94Å; G164-D167 VanDerWaalsContact CA-CG 3.46Å; G164-D167 WeakPolarHBondContact CA-OD1 3.44Å; G164-D167 WeakPolarHBondContact CA-OD2 3.43Å
165	S	95.9	Very high	97	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.028	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.8	177.7	58.1	0	0	0	0	114	R139 P162	R139-S165 WeakPolarHBondContact O-CA 3.12Å; P162-S165 VanDerWaalsContact O-CB 3.3Å; P162-S165 WeakPolarHBondContact O-CB 3.5Å; P162-S165 PolarHBondContact O-N 2.99Å; P162-S165 VanDerWaalsContact O-N 3.13Å; P162-S165 PolarHBondContact O-OG 3.21Å
166	M	96.1	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	13.5	-175.3	-59.6	-174.4	179.5	0	0	113.3	I161 G164 E168 L169 L175 L193	I161-M166 HydrophobicContact CG2-CE 3.92Å; G164-M166 PolarHBondContact O-N 2.94Å; M166-E168 VanDerWaalsContact C-N 3.27Å; M166-E168 PolarHBondContact O-N 3Å; M166-L169 HydrophobicContact CB-CD1 3.97Å; M166-L169 HydrophobicContact CB-CG 4.38Å; M166-L169 HydrophobicContact CG-CD1 3.96Å; M166-L169 WeakPolarHBondContact O-CB 3.18Å; M166-L169 PolarHBondContact O-N 2.94Å; M166-L169 VanDerWaalsContact O-N 3.12Å; M166-L175 HydrophobicContact CE-CD1 4.42Å; M166-L175 HydrophobicContact CE-CD2 4.19Å; M166-L175 HydrophobicContact SD-CD2 4.04Å; M166-L193 HydrophobicContact CB-CD2 4.09Å; M166-L193 HydrophobicContact SD-CD1 4.06Å
167	D	95.3	Very high	97	Very high	68 Å²	68	38.7 Å²	38.7	36%	0.364	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.2	-173.7	-75.9	-8.7	0	0	0	113.7	G164 P192	G164-D167 VanDerWaalsContact CA-CG 3.46Å; G164-D167 WeakPolarHBondContact CA-OD1 3.44Å; G164-D167 WeakPolarHBondContact CA-OD2 3.43Å; D167-P192 VanDerWaalsContact OD1-CG 3.27Å; D167-P192 WeakPolarHBondContact OD1-CG 3.36Å
168	E	95.6	Very high	97.1	Very high	71 Å²	71	38.8 Å²	38.8	33%	0.332	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6	-178	-64.1	-173.5	-169.5	0	0	113.3	Q143 G144 M166 Q170	Q143-E168 WeakPolarHBondContact CG-OE1 3.14Å; G144-E168 PolarHBondContact N-OE2 2.81Å; M166-E168 VanDerWaalsContact C-N 3.27Å; M166-E168 PolarHBondContact O-N 3Å; E168-Q170 PolarHBondContact O-N 3.48Å
169	L	97.1	Very high	97.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.208	C	C	.	.			trans	-83.6	44.3	-174.7	-56.6	-173.8	0	0	0	113.1	F142 L145 L148 L151 M166 H171 L172 L193	F142-L169 HydrophobicContact CB-CD1 4.26Å; F142-L169 HydrophobicContact CB-CD2 4.18Å; F142-L169 HydrophobicContact CB-CG 4.48Å; F142-L169 HydrophobicContact CD2-CD1 4.38Å; F142-L169 HydrophobicContact CG-CD1 4.46Å; L145-L169 HydrophobicContact CB-CD2 3.81Å; L148-L169 HydrophobicContact CB-CD2 4.11Å; L148-L169 HydrophobicContact CD2-CD1 4.44Å; L148-L169 HydrophobicContact CD2-CD2 3.88Å; L151-L169 HydrophobicContact CD2-CD1 4.12Å; M166-L169 HydrophobicContact CB-CD1 3.97Å; M166-L169 HydrophobicContact CB-CG 4.38Å; M166-L169 HydrophobicContact CG-CD1 3.96Å; M166-L169 WeakPolarHBondContact O-CB 3.18Å; M166-L169 PolarHBondContact O-N 2.94Å; M166-L169 VanDerWaalsContact O-N 3.12Å; L169-H171 PolarHBondContact O-N 3.37Å; L169-L172 HydrophobicContact CB-CB 4.15Å; L169-L172 HydrophobicContact CB-CD2 4.48Å; L169-L172 HydrophobicContact CD1-CD2 4.28Å; L169-L172 WeakPolarHBondContact O-CB 3.31Å; L169-L172 PolarHBondContact O-N 2.89Å; L169-L172 VanDerWaalsContact O-N 3.1Å; L169-L193 HydrophobicContact CB-CD2 3.79Å
170	Q	95.3	Very high	97.2	Very high	109 Å²	109	37.2 Å²	37.2	51%	0.509	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.6	-172.3	-62.8	178.2	14.5	0	0	113.6	E168 N195	E168-Q170 PolarHBondContact O-N 3.48Å; Q170-N195 WeakPolarHBondContact O-CB 3.39Å; Q170-N195 PolarHBondContact O-ND2 3.45Å
171	H	97.9	Very high	97.3	Very high	101 Å²	101	41.1 Å²	41.1	47%	0.468	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.7	177.8	-65.6	97.4	0	0	0	113.5	V146 L148 L169 R173	V146-H171 PolarHBondContact O-ND1 3.14Å; L148-H171 CarbonylContact O-C 3.36Å; L169-H171 PolarHBondContact O-N 3.37Å; H171-R173 PolarHBondContact O-N 3.26Å
172	L	98.6	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.			trans	-64.7	128.6	-177.3	-162.3	73.9	0	0	0	110.2	L148 L151 L169 L175 L193 N195 L196	L148-L172 HydrophobicContact CB-CD1 4.46Å; L148-L172 HydrophobicContact CD2-CD1 4.04Å; L148-L172 HydrophobicContact CG-CD1 4.07Å; L148-L172 VanDerWaalsContact O-CA 3.27Å; L148-L172 WeakPolarHBondContact O-CA 3.41Å; L148-L172 PolarHBondContact O-N 2.99Å; L151-L172 HydrophobicContact CB-CD1 3.79Å; L151-L172 HydrophobicContact CB-CD2 4.48Å; L169-L172 HydrophobicContact CB-CB 4.15Å; L169-L172 HydrophobicContact CB-CD2 4.48Å; L169-L172 HydrophobicContact CD1-CD2 4.28Å; L169-L172 WeakPolarHBondContact O-CB 3.31Å; L169-L172 PolarHBondContact O-N 2.89Å; L169-L172 VanDerWaalsContact O-N 3.1Å; L172-L175 HydrophobicContact CD2-CB 4.03Å; L172-L175 HydrophobicContact CD2-CD1 4.47Å; L172-L175 HydrophobicContact CD2-CD2 4.44Å; L172-L193 HydrophobicContact CB-CD2 4.24Å; L172-L193 HydrophobicContact CD2-CD1 4.35Å; L172-L193 HydrophobicContact CD2-CD2 3.96Å; L172-N195 CarbonylContact O-C 3.43Å; L172-L196 HydrophobicContact CD2-CD1 4.16Å; L172-L196 HydrophobicContact CG-CD1 4.22Å; L172-L196 VanDerWaalsContact O-CA 3.29Å; L172-L196 WeakPolarHBondContact O-CA 3.47Å; L172-L196 PolarHBondContact O-N 3.02Å; L172-L196 VanDerWaalsContact O-N 3.12Å
173	R	98.6	Very high	97.3	Very high	119 Å²	119	43.2 Å²	43.2	45%	0.449	20%	0.203	S	C	.	.			trans	-114	-32	-179.1	-64.1	-178.7	-177	176	0.8	112.1	Q149 H171 Q197 H198	Q149-R173 PolarHBondContact O-N 3.18Å; H171-R173 PolarHBondContact O-N 3.26Å; R173-Q197 WeakPolarHBondContact O-CA 3.39Å; R173-Q197 PolarHBondContact O-N 2.93Å; R173-H198 PolarHBondContact O-N 2.92Å
174	W	98.8	Very high	97.3	Very high	66 Å²	66	41.7 Å²	41.7	25%	0.25	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126	-178.2	-173.9	99.2	0	0	0	109.7	Q149 S150 L151 D152 H198 E200	Q149-W174 PolarHBondContact O-N 3.5Å; S150-W174 WeakPolarHBondContact CA-O 3.3Å; L151-W174 PolarHBondContact N-O 3.43Å; L151-W174 WeakPolarHBondContact O-CZ3 3.3Å; D152-W174 HydrophobicContact CB-CH2 4.03Å; D152-W174 HydrophobicContact CB-CZ3 3.66Å; W174-H198 WeakPolarHBondContact CA-O 3.41Å; W174-H198 AromaticContact CD1-CD2 3.19Å; W174-H198 AromaticContact CD1-CG 3.59Å; W174-H198 HydrophobicContact CG-CB 4.36Å; W174-H198 AromaticContact NE1-CD2 3.03Å; W174-H198 PolarHBondContact NE1-CD2 3.02Å; W174-H198 AromaticContact NE1-CG 3.86Å; W174-H198 AromaticContact NE1-NE2 3.58Å; W174-E200 WeakPolarHBondContact CZ2-OE2 3.37Å
175	L	98.8	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.6	176.9	174.8	58.6	0	0	0	109.1	L151 M166 L172 L177 F190 L193 L196 H198 L199 E200	L151-L175 HydrophobicContact CB-CD1 4.09Å; L151-L175 HydrophobicContact CD2-CD1 3.98Å; L151-L175 HydrophobicContact CG-CD1 4Å; L151-L175 WeakPolarHBondContact O-CA 3.25Å; M166-L175 HydrophobicContact CE-CD1 4.42Å; M166-L175 HydrophobicContact CE-CD2 4.19Å; M166-L175 HydrophobicContact SD-CD2 4.04Å; L172-L175 HydrophobicContact CD2-CB 4.03Å; L172-L175 HydrophobicContact CD2-CD1 4.47Å; L172-L175 HydrophobicContact CD2-CD2 4.44Å; L175-L177 HydrophobicContact CD1-CG 4.21Å; L175-L177 HydrophobicContact CD2-CD1 4.18Å; L175-L177 HydrophobicContact CG-CD1 4.44Å; L175-L177 HydrophobicContact CG-CG 4.25Å; L175-F190 HydrophobicContact CD2-CD1 4.38Å; L175-F190 HydrophobicContact CD2-CE1 3.94Å; L175-L193 HydrophobicContact CD2-CD1 4.08Å; L175-L196 HydrophobicContact CB-CD1 3.84Å; L175-H198 PolarHBondContact N-O 2.9Å; L175-L199 HydrophobicContact CB-CD1 4.13Å; L175-L199 HydrophobicContact CD2-CD1 3.94Å; L175-L199 HydrophobicContact CG-CD1 4Å; L175-L199 WeakPolarHBondContact O-CA 3.29Å; L175-E200 PolarHBondContact O-N 2.96Å
176	S	98.8	Very high	97.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.7	169.5	-167.2	0	0	0	0	111.4	L151 L153 S154 E200	L151-S176 PolarHBondContact O-N 3.03Å; L153-S176 CarbonylContact C-O 3.46Å; L153-S176 WeakPolarHBondContact CA-O 3.39Å; L153-S176 WeakPolarHBondContact CB-O 3.4Å; L153-S176 PolarHBondContact N-O 3.16Å; S154-S176 PolarHBondContact N-O 3.46Å; S176-E200 WeakPolarHBondContact CB-OE2 3.46Å; S176-E200 WeakPolarHBondContact OG-CB 3.4Å; S176-E200 PolarHBondContact OG-OE2 3.37Å
177	L	98.6	Very high	97.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.			trans	-122.7	15.7	171.4	-64.8	167.2	0	0	0	110	L153 L158 I161 L175 N180 L182 F190 E200 L201 N204	L153-L177 HydrophobicContact CB-CD2 3.85Å; L153-L177 HydrophobicContact CD1-CD2 3.81Å; L158-L177 HydrophobicContact CD1-CD2 4.31Å; I161-L177 HydrophobicContact CD1-CD1 4.17Å; I161-L177 HydrophobicContact CD1-CD2 3.86Å; I161-L177 HydrophobicContact CG1-CD1 4.2Å; L175-L177 HydrophobicContact CD1-CG 4.21Å; L175-L177 HydrophobicContact CD2-CD1 4.18Å; L175-L177 HydrophobicContact CG-CD1 4.44Å; L175-L177 HydrophobicContact CG-CG 4.25Å; L177-N180 PolarHBondContact O-ND2 3.19Å; L177-L182 HydrophobicContact CB-CD1 4.01Å; L177-L182 HydrophobicContact CD1-CD1 4.34Å; L177-F190 HydrophobicContact CD1-CE1 4.11Å; L177-F190 HydrophobicContact CD1-CZ 4.06Å; L177-E200 PolarHBondContact N-O 3.29Å; L177-L201 HydrophobicContact CB-CD2 3.92Å; L177-L201 HydrophobicContact CD1-CD2 3.99Å; L177-N204 PolarHBondContact O-ND2 2.89Å
178	A	98.6	Very high	97.4	Very high	15 Å²	15	51.2 Å²	51.2	12%	0.124	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	147.8	-178	0	0	0	0	0	111.8	S154 L155 N180 E200 G202	S154-A178 CarbonylContact C-O 3.48Å; S154-A178 WeakPolarHBondContact CA-O 3.47Å; S154-A178 VanDerWaalsContact CB-O 3.25Å; S154-A178 WeakPolarHBondContact CB-O 3.38Å; L155-A178 PolarHBondContact N-O 3.44Å; A178-N180 PolarHBondContact O-N 3.3Å; A178-E200 HydrophobicContact CB-CB 4.28Å; A178-E200 PolarHBondContact N-O 3.03Å; A178-G202 CarbonylContact C-O 3.44Å; A178-G202 WeakPolarHBondContact CA-O 3.35Å; A178-G202 WeakPolarHBondContact CB-O 3.41Å
179	G	98.2	Very high	97.4	Very high	16 Å²	16	47.9 Å²	47.9	17%	0.165	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	34.8	176.5	0	0	0	0	0	114	L155 G202 Q203	L155-G179 WeakPolarHBondContact CA-O 3.09Å; G179-G202 PolarHBondContact N-O 3.25Å; G179-Q203 WeakPolarHBondContact CA-O 3.28Å
180	N	98.7	Very high	97.4	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	23%	0.226	C	C	.	.	S	Bend	trans	-103.9	-163	171.8	-83.8	-78.1	0	0	0	110.4	L153 N156 G157 L158 L177 A178 L182 N204	L153-N180 PolarHBondContact O-ND2 3.46Å; N156-N180 WeakPolarHBondContact CA-OD1 3.48Å; N156-N180 WeakPolarHBondContact CB-OD1 3.4Å; N156-N180 PolarHBondContact O-OD1 3.35Å; G157-N180 PolarHBondContact N-OD1 2.88Å; L158-N180 HydrophobicContact CB-CB 4.27Å; L158-N180 WeakPolarHBondContact CB-OD1 3.31Å; L158-N180 WeakPolarHBondContact CG-OD1 3.49Å; L158-N180 PolarHBondContact N-OD1 3.4Å; L177-N180 PolarHBondContact O-ND2 3.19Å; A178-N180 PolarHBondContact O-N 3.3Å; N180-L182 HydrophobicContact CB-CD1 4.33Å; N180-L182 HydrophobicContact CB-CG 4.1Å; N180-N204 WeakPolarHBondContact CA-OD1 3.26Å; N180-N204 WeakPolarHBondContact CB-OD1 3.45Å; N180-N204 PolarHBondContact N-OD1 3.32Å; N180-N204 PolarHBondContact O-OD1 2.88Å; N180-N204 VanDerWaalsContact O-OD1 3.14Å
181	R	98.1	Very high	97.3	Very high	168 Å²	168	47.4 Å²	47.4	63%	0.634	22%	0.224	S	C	*	.			trans	-114.7	32.9	177.7	-59.9	-173.3	-179.6	-155.9	2	111.8	L158 H183 N204	L158-R181 CarbonylContact O-C 3.51Å; L158-R181 WeakPolarHBondContact O-CA 3.49Å; L158-R181 PolarHBondContact O-N 3.22Å; R181-H183 PolarHBondContact O-CD2 3.37Å; R181-H183 PolarHBondContact O-N 2.66Å; R181-N204 PolarHBondContact N-OD1 3.24Å
182	L	97.8	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.			trans	-74.6	124.1	-178	-58.9	169.1	0	0	0	110.2	L158 I161 L177 N180 L185 N204 P205 W206	L158-L182 HydrophobicContact CB-CD2 4.5Å; L158-L182 PolarHBondContact O-N 3.01Å; I161-L182 HydrophobicContact CD1-CD2 4.15Å; I161-L182 HydrophobicContact CG1-CD2 4.06Å; L177-L182 HydrophobicContact CB-CD1 4.01Å; L177-L182 HydrophobicContact CD1-CD1 4.34Å; N180-L182 HydrophobicContact CB-CD1 4.33Å; N180-L182 HydrophobicContact CB-CG 4.1Å; L182-L185 HydrophobicContact CD1-CD2 4.25Å; L182-L185 HydrophobicContact CD2-CD2 4.39Å; L182-N204 HydrophobicContact CB-CB 4.22Å; L182-N204 WeakPolarHBondContact CB-OD1 3.46Å; L182-N204 WeakPolarHBondContact CG-OD1 3.39Å; L182-N204 PolarHBondContact N-OD1 3.43Å; L182-P205 CarbonylContact O-C 3.54Å; L182-P205 VanDerWaalsContact O-CD 3.27Å; L182-P205 WeakPolarHBondContact O-CD 3.36Å; L182-W206 HydrophobicContact CB-CH2 3.56Å; L182-W206 HydrophobicContact CB-CZ2 4.34Å; L182-W206 HydrophobicContact CB-CZ3 3.74Å; L182-W206 HydrophobicContact CD1-CH2 3.97Å; L182-W206 HydrophobicContact CG-CH2 4.42Å
183	H	95.8	Very high	97.1	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.417	21%	0.211	S	C	.	.	S	Bend	trans	-96.6	-36.4	173.9	-64.8	-71.5	0	0	0	111.8	R181 P205 E207	R181-H183 PolarHBondContact O-CD2 3.37Å; R181-H183 PolarHBondContact O-N 2.66Å; H183-P205 WeakPolarHBondContact CE1-CG 3.32Å; H183-P205 PolarHBondContact ND1-O 3.5Å; H183-E207 HydrophobicContact CB-CB 4.45Å; H183-E207 PolarHBondContact O-N 3.4Å
184	G	95.3	Very high	97	Very high	29 Å²	29	41.7 Å²	41.7	30%	0.299	21%	0.21	S	C	.	.			trans	-142.2	164.6	180	0	0	0	0	0	111.1
185	L	96.7	Very high	96.9	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.042	22%	0.215	C	C	.	.			trans	-136.8	140.5	172.6	-73.8	176.3	0	0	0	109.5	I161 L182 F190 L201 W206 L212 F215	I161-L185 HydrophobicContact CB-CD2 4.28Å; I161-L185 HydrophobicContact CG1-CD2 3.72Å; L182-L185 HydrophobicContact CD1-CD2 4.25Å; L182-L185 HydrophobicContact CD2-CD2 4.39Å; L185-F190 HydrophobicContact CB-CE2 3.92Å; L185-F190 HydrophobicContact CD1-CE2 3.78Å; L185-F190 HydrophobicContact CD1-CZ 3.61Å; L185-F190 HydrophobicContact CD2-CE2 3.77Å; L185-F190 HydrophobicContact CD2-CZ 3.78Å; L185-F190 HydrophobicContact CG-CE2 4.01Å; L185-F190 HydrophobicContact CG-CZ 4.16Å; L185-L201 HydrophobicContact CD1-CD1 3.95Å; L185-L201 HydrophobicContact CD1-CD2 3.73Å; L185-W206 HydrophobicContact CD1-CH2 3.6Å; L185-W206 HydrophobicContact CD1-CZ3 4.01Å; L185-W206 HydrophobicContact CG-CH2 3.8Å; L185-W206 HydrophobicContact CG-CZ3 3.78Å; L185-L212 HydrophobicContact CB-CD1 4.28Å; L185-F215 HydrophobicContact CB-CB 4.13Å; L185-F215 HydrophobicContact CB-CD1 4.18Å; L185-F215 HydrophobicContact CB-CD2 3.64Å; L185-F215 HydrophobicContact CB-CE2 4.14Å; L185-F215 HydrophobicContact CB-CG 3.68Å; L185-F215 HydrophobicContact CD1-CD1 4.36Å; L185-F215 HydrophobicContact CD1-CD2 4.03Å; L185-F215 HydrophobicContact CD1-CE1 4.01Å; L185-F215 HydrophobicContact CD1-CE2 3.64Å; L185-F215 HydrophobicContact CD1-CG 4.39Å; L185-F215 HydrophobicContact CD1-CZ 3.66Å; L185-F215 WeakPolarHBondContact O-CB 3.45Å
186	E	95.6	Very high	96.9	Very high	123 Å²	123	42.1 Å²	42.1	58%	0.575	22%	0.217	S	C	*	.			trans	-90.6	132.1	173.4	-68	-174.7	-141.3	0	0	110	V163 A188 A189 F190	V163-E186 HydrophobicContact CG2-CB 4.21Å; V163-E186 WeakPolarHBondContact CG2-OE2 3.22Å; E186-A188 PolarHBondContact O-N 3.13Å; E186-A188 VanDerWaalsContact O-N 3.16Å; E186-A189 PolarHBondContact O-N 2.64Å; E186-A189 VanDerWaalsContact O-N 3.12Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å
187	R	96.1	Very high	96.9	Very high	109 Å²	109	47.6 Å²	47.6	41%	0.411	24%	0.242	S	C	.	.	H	α-helix	trans	-50.6	-40.8	174.5	167	179.3	166.6	178.3	-1.2	112.3	A189 F190 E191 D214 W218	R187-A189 PolarHBondContact O-N 2.76Å; R187-A189 VanDerWaalsContact O-N 3.17Å; R187-F190 PolarHBondContact O-N 3.45Å; R187-E191 IonicContact CZ-OE1 3.62Å; R187-E191 IonicContact NE-OE1 3.08Å; R187-E191 IonicContact NH2-OE1 2.81Å; R187-E191 PolarHBondContact NH2-OE1 2.86Å; R187-E191 PolarHBondContact O-N 2.88Å; R187-E191 VanDerWaalsContact O-N 3.1Å; R187-D214 HydrophobicContact CB-CB 4.02Å; R187-W218 HydrophobicContact CB-CB 4.46Å; R187-W218 HydrophobicContact CG-CB 4.01Å; R187-W218 HydrophobicContact CG-CG 4.34Å
188	A	96.3	Very high	96.9	Very high	42 Å²	42	50 Å²	50	35%	0.347	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-27.1	-175.4	0	0	0	0	0	113.1	V163 E186 F190	V163-A188 HydrophobicContact CG1-CB 3.79Å; V163-A188 HydrophobicContact CG2-CB 4.28Å; E186-A188 PolarHBondContact O-N 3.13Å; E186-A188 VanDerWaalsContact O-N 3.16Å; A188-F190 VanDerWaalsContact C-N 3.29Å; A188-F190 PolarHBondContact O-N 2.81Å
189	A	96	Very high	96.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-71.1	-23.2	177.4	0	0	0	0	0	113.3	I161 E186 R187	I161-A189 HydrophobicContact CG2-CB 4.18Å; E186-A189 PolarHBondContact O-N 2.64Å; E186-A189 VanDerWaalsContact O-N 3.12Å; R187-A189 PolarHBondContact O-N 2.76Å; R187-A189 VanDerWaalsContact O-N 3.17Å
190	F	96.6	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-112.3	-13.6	-174.2	-60	-95.2	0	0	0	113.9	L175 L177 L185 E186 R187 A188 P192 L193 L199 F215 W218	L175-F190 HydrophobicContact CD2-CD1 4.38Å; L175-F190 HydrophobicContact CD2-CE1 3.94Å; L177-F190 HydrophobicContact CD1-CE1 4.11Å; L177-F190 HydrophobicContact CD1-CZ 4.06Å; L185-F190 HydrophobicContact CB-CE2 3.92Å; L185-F190 HydrophobicContact CD1-CE2 3.78Å; L185-F190 HydrophobicContact CD1-CZ 3.61Å; L185-F190 HydrophobicContact CD2-CE2 3.77Å; L185-F190 HydrophobicContact CD2-CZ 3.78Å; L185-F190 HydrophobicContact CG-CE2 4.01Å; L185-F190 HydrophobicContact CG-CZ 4.16Å; E186-F190 WeakPolarHBondContact O-CD2 3.44Å; R187-F190 PolarHBondContact O-N 3.45Å; A188-F190 VanDerWaalsContact C-N 3.29Å; A188-F190 PolarHBondContact O-N 2.81Å; F190-P192 VanDerWaalsContact C-N 3.31Å; F190-L193 HydrophobicContact CB-CD1 4.42Å; F190-L193 HydrophobicContact CD1-CD1 3.9Å; F190-L193 WeakPolarHBondContact O-CB 3.47Å; F190-L193 PolarHBondContact O-N 2.79Å; F190-L199 HydrophobicContact CE1-CD1 4.45Å; F190-F215 AromaticContact CD2-CD2 3.95Å; F190-F215 HydrophobicContact CD2-CD2 3.95Å; F190-F215 AromaticContact CD2-CE2 3.88Å; F190-F215 HydrophobicContact CD2-CE2 3.88Å; F190-F215 HydrophobicContact CE2-CD2 4.12Å; F190-F215 AromaticContact CE2-CE2 3.96Å; F190-F215 HydrophobicContact CE2-CE2 3.96Å; F190-F215 HydrophobicContact CG-CE2 4.2Å; F190-F215 HydrophobicContact CZ-CE2 4.32Å; F190-W218 HydrophobicContact CB-CD2 4Å; F190-W218 HydrophobicContact CB-CE3 4.14Å; F190-W218 HydrophobicContact CB-CH2 3.6Å; F190-W218 HydrophobicContact CB-CZ2 3.43Å; F190-W218 VanDerWaalsContact CB-CZ2 3.43Å; F190-W218 HydrophobicContact CB-CZ3 3.95Å; F190-W218 HydrophobicContact CD1-CH2 4.05Å; F190-W218 HydrophobicContact CD1-CZ3 4.29Å; F190-W218 HydrophobicContact CG-CH2 4.09Å; F190-W218 HydrophobicContact CG-CZ2 4.4Å; F190-W218 HydrophobicContact CG-CZ3 4.18Å
191	E	94.3	Very high	96.9	Very high	100 Å²	100	50.5 Å²	50.5	47%	0.467	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.7	176.8	-170.5	157.3	-137.3	0	0	114.4	R187 L193	R187-E191 IonicContact CZ-OE1 3.62Å; R187-E191 IonicContact NE-OE1 3.08Å; R187-E191 IonicContact NH2-OE1 2.81Å; R187-E191 PolarHBondContact NH2-OE1 2.86Å; R187-E191 PolarHBondContact O-N 2.88Å; R187-E191 VanDerWaalsContact O-N 3.1Å; E191-L193 PolarHBondContact O-N 2.99Å
192	P	95.6	Very high	96.8	Very high	29 Å²	29	42.8 Å²	42.8	19%	0.188	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.2	175.4	-21	33	0	0	0	115	D167 F190 V194	D167-P192 VanDerWaalsContact OD1-CG 3.27Å; D167-P192 WeakPolarHBondContact OD1-CG 3.36Å; F190-P192 VanDerWaalsContact C-N 3.31Å; P192-V194 PolarHBondContact O-N 2.87Å
193	L	96.9	Very high	96.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.257	C	S	.	.			trans	-79.9	59.2	-173.2	-55.5	-179.7	0	0	0	111.9	M166 L169 L172 L175 F190 E191 N195 L196	M166-L193 HydrophobicContact CB-CD2 4.09Å; M166-L193 HydrophobicContact SD-CD1 4.06Å; L169-L193 HydrophobicContact CB-CD2 3.79Å; L172-L193 HydrophobicContact CB-CD2 4.24Å; L172-L193 HydrophobicContact CD2-CD1 4.35Å; L172-L193 HydrophobicContact CD2-CD2 3.96Å; L175-L193 HydrophobicContact CD2-CD1 4.08Å; F190-L193 HydrophobicContact CB-CD1 4.42Å; F190-L193 HydrophobicContact CD1-CD1 3.9Å; F190-L193 WeakPolarHBondContact O-CB 3.47Å; F190-L193 PolarHBondContact O-N 2.79Å; E191-L193 PolarHBondContact O-N 2.99Å; L193-N195 PolarHBondContact O-N 3.1Å; L193-N195 VanDerWaalsContact O-N 3.15Å; L193-L196 HydrophobicContact CB-CB 4.05Å; L193-L196 HydrophobicContact CB-CD2 4.48Å; L193-L196 HydrophobicContact CD1-CD2 4.16Å; L193-L196 WeakPolarHBondContact O-CB 3.41Å; L193-L196 PolarHBondContact O-N 3.17Å; L193-L196 VanDerWaalsContact O-N 3.15Å
194	V	94.9	Very high	96.9	Very high	69 Å²	69	46.5 Å²	46.5	42%	0.418	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.6	-170.7	-64.5	0	0	0	0	114.5	P192 R225	P192-V194 PolarHBondContact O-N 2.87Å; V194-R225 VanDerWaalsContact O-CZ 3.25Å; V194-R225 PolarHBondContact O-NH1 3.11Å; V194-R225 PolarHBondContact O-NH2 3.05Å
195	N	97.3	Very high	97.1	Very high	69 Å²	69	46.9 Å²	46.9	37%	0.369	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.8	-179.7	-72	-49	0	0	0	113.7	Q170 L172 L193 Q197	Q170-N195 WeakPolarHBondContact O-CB 3.39Å; Q170-N195 PolarHBondContact O-ND2 3.45Å; L172-N195 CarbonylContact O-C 3.43Å; L193-N195 PolarHBondContact O-N 3.1Å; L193-N195 VanDerWaalsContact O-N 3.15Å; N195-Q197 WeakPolarHBondContact O-CG 3.29Å; N195-Q197 PolarHBondContact O-N 2.8Å
196	L	98.4	Very high	97.1	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	24%	0.235	C	C	.	.			trans	-62.6	131.9	-179.2	-162.4	71.5	0	0	0	110.4	L172 L175 L193 L199 W218 L222	L172-L196 HydrophobicContact CD2-CD1 4.16Å; L172-L196 HydrophobicContact CG-CD1 4.22Å; L172-L196 VanDerWaalsContact O-CA 3.29Å; L172-L196 WeakPolarHBondContact O-CA 3.47Å; L172-L196 PolarHBondContact O-N 3.02Å; L172-L196 VanDerWaalsContact O-N 3.12Å; L175-L196 HydrophobicContact CB-CD1 3.84Å; L193-L196 HydrophobicContact CB-CB 4.05Å; L193-L196 HydrophobicContact CB-CD2 4.48Å; L193-L196 HydrophobicContact CD1-CD2 4.16Å; L193-L196 WeakPolarHBondContact O-CB 3.41Å; L193-L196 PolarHBondContact O-N 3.17Å; L193-L196 VanDerWaalsContact O-N 3.15Å; L196-L199 HydrophobicContact CD2-CB 4.07Å; L196-L199 HydrophobicContact CD2-CD1 4.42Å; L196-L199 HydrophobicContact CD2-CD2 4.38Å; L196-W218 HydrophobicContact CD2-CH2 3.94Å; L196-L222 HydrophobicContact CB-CD1 4.49Å; L196-L222 HydrophobicContact CD2-CD2 4.27Å; L196-L222 WeakPolarHBondContact O-CD1 3.41Å
197	Q	98.2	Very high	97.1	Very high	116 Å²	116	44.4 Å²	44.4	54%	0.542	23%	0.225	S	C	.	.			trans	-118	-30.9	-178.2	-64.7	-179.5	-3.4	0	0	111.7	R173 N195 G227 K228	R173-Q197 WeakPolarHBondContact O-CA 3.39Å; R173-Q197 PolarHBondContact O-N 2.93Å; N195-Q197 WeakPolarHBondContact O-CG 3.29Å; N195-Q197 PolarHBondContact O-N 2.8Å; Q197-G227 CarbonylContact O-C 3.36Å; Q197-G227 VanDerWaalsContact O-CA 3.31Å; Q197-G227 WeakPolarHBondContact O-CA 3.32Å; Q197-K228 PolarHBondContact O-N 3.04Å
198	H	98.6	Very high	97.1	Very high	50 Å²	50	39.2 Å²	39.2	23%	0.231	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.7	-176.7	-169.7	93.5	0	0	0	109.9	R173 W174 L175 E200 K228	R173-H198 PolarHBondContact O-N 2.92Å; W174-H198 WeakPolarHBondContact CA-O 3.41Å; W174-H198 AromaticContact CD1-CD2 3.19Å; W174-H198 AromaticContact CD1-CG 3.59Å; W174-H198 HydrophobicContact CG-CB 4.36Å; W174-H198 AromaticContact NE1-CD2 3.03Å; W174-H198 PolarHBondContact NE1-CD2 3.02Å; W174-H198 AromaticContact NE1-CG 3.86Å; W174-H198 AromaticContact NE1-NE2 3.58Å; L175-H198 PolarHBondContact N-O 2.9Å; H198-E200 IonicContact CD2-OE1 3.82Å; H198-E200 PolarHBondContact CD2-OE1 2.81Å; H198-E200 IonicContact CE1-OE1 3.47Å; H198-E200 WeakPolarHBondContact NE2-CG 3.41Å; H198-E200 IonicContact NE2-OE1 3.88Å; H198-E200 PolarHBondContact NE2-OE1 2.81Å; H198-K228 WeakPolarHBondContact CA-O 3.44Å
199	L	98.7	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123	-177.7	175.6	59.2	0	0	0	109	L175 F190 L196 L201 F215 W218 L222 K228 V229 D230	L175-L199 HydrophobicContact CB-CD1 4.13Å; L175-L199 HydrophobicContact CD2-CD1 3.94Å; L175-L199 HydrophobicContact CG-CD1 4Å; L175-L199 WeakPolarHBondContact O-CA 3.29Å; F190-L199 HydrophobicContact CE1-CD1 4.45Å; L196-L199 HydrophobicContact CD2-CB 4.07Å; L196-L199 HydrophobicContact CD2-CD1 4.42Å; L196-L199 HydrophobicContact CD2-CD2 4.38Å; L199-L201 HydrophobicContact CD1-CD1 4.27Å; L199-L201 HydrophobicContact CD1-CD2 4.31Å; L199-L201 HydrophobicContact CD1-CG 3.95Å; L199-L201 HydrophobicContact CD2-CD1 3.67Å; L199-L201 HydrophobicContact CD2-CG 4.24Å; L199-L201 HydrophobicContact CG-CD1 3.83Å; L199-L201 HydrophobicContact CG-CG 3.84Å; L199-F215 HydrophobicContact CD2-CZ 4.28Å; L199-W218 HydrophobicContact CD2-CH2 3.98Å; L199-W218 HydrophobicContact CD2-CZ3 3.67Å; L199-L222 HydrophobicContact CB-CD2 4.16Å; L199-L222 HydrophobicContact CD2-CD2 4.13Å; L199-K228 PolarHBondContact N-O 2.97Å; L199-V229 HydrophobicContact CB-CG2 4.33Å; L199-V229 WeakPolarHBondContact O-CA 3.5Å; L199-D230 PolarHBondContact O-N 3.21Å
200	E	98.7	Very high	96.9	Very high	51 Å²	51	40.1 Å²	40.1	24%	0.238	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.2	177.2	-61.8	174.3	178.2	0	0	109.9	W174 L175 S176 L177 A178 H198 D230	W174-E200 WeakPolarHBondContact CZ2-OE2 3.37Å; L175-E200 PolarHBondContact O-N 2.96Å; S176-E200 WeakPolarHBondContact CB-OE2 3.46Å; S176-E200 WeakPolarHBondContact OG-CB 3.4Å; S176-E200 PolarHBondContact OG-OE2 3.37Å; L177-E200 PolarHBondContact N-O 3.29Å; A178-E200 HydrophobicContact CB-CB 4.28Å; A178-E200 PolarHBondContact N-O 3.03Å; H198-E200 IonicContact CD2-OE1 3.82Å; H198-E200 PolarHBondContact CD2-OE1 2.81Å; H198-E200 IonicContact CE1-OE1 3.47Å; H198-E200 WeakPolarHBondContact NE2-CG 3.41Å; H198-E200 IonicContact NE2-OE1 3.88Å; H198-E200 PolarHBondContact NE2-OE1 2.81Å; E200-D230 WeakPolarHBondContact CA-OD1 3.44Å
201	L	98.3	Very high	96.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.			trans	-135.4	0.6	-172.6	-76.9	176.4	0	0	0	112.1	L177 L185 L199 N204 W206 F215 D230 L232	L177-L201 HydrophobicContact CB-CD2 3.92Å; L177-L201 HydrophobicContact CD1-CD2 3.99Å; L185-L201 HydrophobicContact CD1-CD1 3.95Å; L185-L201 HydrophobicContact CD1-CD2 3.73Å; L199-L201 HydrophobicContact CD1-CD1 4.27Å; L199-L201 HydrophobicContact CD1-CD2 4.31Å; L199-L201 HydrophobicContact CD1-CG 3.95Å; L199-L201 HydrophobicContact CD2-CD1 3.67Å; L199-L201 HydrophobicContact CD2-CG 4.24Å; L199-L201 HydrophobicContact CG-CD1 3.83Å; L199-L201 HydrophobicContact CG-CG 3.84Å; L201-N204 PolarHBondContact O-ND2 3.35Å; L201-W206 HydrophobicContact CB-CZ2 3.76Å; L201-W206 HydrophobicContact CD1-CZ2 4.47Å; L201-W206 HydrophobicContact CD2-CH2 3.96Å; L201-W206 HydrophobicContact CD2-CZ2 3.84Å; L201-W206 HydrophobicContact CG-CZ2 4.24Å; L201-W206 VanDerWaalsContact O-CZ2 3.31Å; L201-W206 WeakPolarHBondContact O-CZ2 3.48Å; L201-W206 PolarHBondContact O-NE1 3.02Å; L201-F215 HydrophobicContact CD1-CE1 3.9Å; L201-F215 HydrophobicContact CD1-CE2 4.43Å; L201-F215 HydrophobicContact CD1-CZ 3.41Å; L201-F215 VanDerWaalsContact CD1-CZ 3.41Å; L201-D230 PolarHBondContact N-OD1 2.81Å; L201-D230 PolarHBondContact N-OD2 3.36Å; L201-L232 HydrophobicContact CB-CD1 4.22Å; L201-L232 HydrophobicContact CB-CD2 3.27Å; L201-L232 HydrophobicContact CB-CG 4.37Å; L201-L232 HydrophobicContact CD1-CD1 4.29Å
202	G	97.6	Very high	96.8	Very high	6 Å²	6	40.5 Å²	40.5	6%	0.062	21%	0.212	C	C	.	.			trans	-57	165.3	179	0	0	0	0	0	113.3	A178 G179 N204 D230	A178-G202 CarbonylContact C-O 3.44Å; A178-G202 WeakPolarHBondContact CA-O 3.35Å; A178-G202 WeakPolarHBondContact CB-O 3.41Å; G179-G202 PolarHBondContact N-O 3.25Å; G202-N204 PolarHBondContact O-N 2.81Å; G202-N204 PolarHBondContact O-ND2 2.91Å; G202-D230 WeakPolarHBondContact CA-OD2 3.24Å; G202-D230 PolarHBondContact N-OD1 3.12Å; G202-D230 PolarHBondContact N-OD2 3.15Å
203	Q	97.3	Very high	96.8	Very high	158 Å²	158	43.6 Å²	43.6	74%	0.738	22%	0.22	S	C	*	.	S	Bend	trans	56.4	33.8	178.3	-55.5	-179.4	-14.9	0	0	114.3	G179	G179-Q203 WeakPolarHBondContact CA-O 3.28Å
204	N	98.5	Very high	96.8	Very high	9 Å²	9	48 Å²	48	5%	0.048	24%	0.244	C	C	.	.	S	Bend	trans	-113.6	148.2	170.5	-81.5	-80.6	0	0	0	110	L177 N180 R181 L182 L201 G202 W206	L177-N204 PolarHBondContact O-ND2 2.89Å; N180-N204 WeakPolarHBondContact CA-OD1 3.26Å; N180-N204 WeakPolarHBondContact CB-OD1 3.45Å; N180-N204 PolarHBondContact N-OD1 3.32Å; N180-N204 PolarHBondContact O-OD1 2.88Å; N180-N204 VanDerWaalsContact O-OD1 3.14Å; R181-N204 PolarHBondContact N-OD1 3.24Å; L182-N204 HydrophobicContact CB-CB 4.22Å; L182-N204 WeakPolarHBondContact CB-OD1 3.46Å; L182-N204 WeakPolarHBondContact CG-OD1 3.39Å; L182-N204 PolarHBondContact N-OD1 3.43Å; L201-N204 PolarHBondContact O-ND2 3.35Å; G202-N204 PolarHBondContact O-N 2.81Å; G202-N204 PolarHBondContact O-ND2 2.91Å; N204-W206 HydrophobicContact CB-CD2 4.09Å; N204-W206 VanDerWaalsContact CB-CE2 3.45Å; N204-W206 HydrophobicContact CB-CG 4.49Å; N204-W206 HydrophobicContact CB-CH2 4.21Å; N204-W206 HydrophobicContact CB-CZ2 3.51Å; N204-W206 PolarHBondContact O-N 3.15Å
205	P	97.6	Very high	96.9	Very high	38 Å²	38	45 Å²	45	25%	0.247	23%	0.225	C	C	.	.			trans	-77.6	61	-178.7	33.8	-38.4	0	0	0	113.1	L182 H183 E207 T235	L182-P205 CarbonylContact O-C 3.54Å; L182-P205 VanDerWaalsContact O-CD 3.27Å; L182-P205 WeakPolarHBondContact O-CD 3.36Å; H183-P205 WeakPolarHBondContact CE1-CG 3.32Å; H183-P205 PolarHBondContact ND1-O 3.5Å; P205-E207 PolarHBondContact O-N 3.49Å; P205-T235 WeakPolarHBondContact CA-OG1 3.17Å
206	W	97.4	Very high	96.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	127.7	-172.6	-64	116.2	0	0	0	113.7	L182 L185 L201 N204 L212 T235 L236 I245	L182-W206 HydrophobicContact CB-CH2 3.56Å; L182-W206 HydrophobicContact CB-CZ2 4.34Å; L182-W206 HydrophobicContact CB-CZ3 3.74Å; L182-W206 HydrophobicContact CD1-CH2 3.97Å; L182-W206 HydrophobicContact CG-CH2 4.42Å; L185-W206 HydrophobicContact CD1-CH2 3.6Å; L185-W206 HydrophobicContact CD1-CZ3 4.01Å; L185-W206 HydrophobicContact CG-CH2 3.8Å; L185-W206 HydrophobicContact CG-CZ3 3.78Å; L201-W206 HydrophobicContact CB-CZ2 3.76Å; L201-W206 HydrophobicContact CD1-CZ2 4.47Å; L201-W206 HydrophobicContact CD2-CH2 3.96Å; L201-W206 HydrophobicContact CD2-CZ2 3.84Å; L201-W206 HydrophobicContact CG-CZ2 4.24Å; L201-W206 VanDerWaalsContact O-CZ2 3.31Å; L201-W206 WeakPolarHBondContact O-CZ2 3.48Å; L201-W206 PolarHBondContact O-NE1 3.02Å; N204-W206 HydrophobicContact CB-CD2 4.09Å; N204-W206 VanDerWaalsContact CB-CE2 3.45Å; N204-W206 HydrophobicContact CB-CG 4.49Å; N204-W206 HydrophobicContact CB-CH2 4.21Å; N204-W206 HydrophobicContact CB-CZ2 3.51Å; N204-W206 PolarHBondContact O-N 3.15Å; W206-L212 HydrophobicContact CE3-CD1 4.31Å; W206-L212 HydrophobicContact CE3-CD2 4.26Å; W206-L212 HydrophobicContact CZ3-CD1 4.44Å; W206-T235 WeakPolarHBondContact O-CA 3.44Å; W206-T235 WeakPolarHBondContact O-CB 3.39Å; W206-T235 PolarHBondContact O-N 3.1Å; W206-L236 PolarHBondContact O-N 2.83Å; W206-L236 VanDerWaalsContact O-N 3.15Å; W206-I245 HydrophobicContact CB-CD1 3.79Å; W206-I245 HydrophobicContact CD2-CD1 4.3Å; W206-I245 HydrophobicContact CG-CD1 3.7Å
207	E	96	Very high	96.7	Very high	76 Å²	76	45 Å²	45	36%	0.355	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	103.2	170.1	-174.8	162.3	-164.2	0	0	108.6	H183 P205 D209 L212 L236	H183-E207 HydrophobicContact CB-CB 4.45Å; H183-E207 PolarHBondContact O-N 3.4Å; P205-E207 PolarHBondContact O-N 3.49Å; E207-D209 HydrophobicContact CG-CB 4.07Å; E207-D209 PolarHBondContact O-N 3.37Å; E207-L212 WeakPolarHBondContact O-CB 3.47Å; E207-L236 HydrophobicContact CB-CB 4.41Å; E207-L236 HydrophobicContact CG-CB 4.06Å
208	C	96.1	Very high	96.7	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.199	C	C	.	.			trans	-84.3	61.4	-176	-64.4	0	0	0	0	111.2	C234 L236 P237 L240 F253	C208-C234 HydrophobicContact CB-CB 3.87Å; C208-C234 WeakPolarHBondContact CB-SG 3.49Å; C208-C234 VanDerWaalsContact SG-CA 3.55Å; C208-C234 WeakPolarHBondContact SG-CB 3.34Å; C208-C234 CovalentContact SG-SG 2.03Å; C208-C234 PolarHBondContact SG-SG 3.49Å; C208-L236 WeakPolarHBondContact CB-O 3.34Å; C208-L236 PolarHBondContact N-O 3.32Å; C208-P237 WeakPolarHBondContact O-CD 3.45Å; C208-L240 HydrophobicContact CB-CD1 3.92Å; C208-F253 HydrophobicContact CB-CD1 4Å; C208-F253 HydrophobicContact CB-CE1 3.47Å; C208-F253 VanDerWaalsContact CB-CE1 3.47Å; C208-F253 HydrophobicContact CB-CZ 4.04Å
209	D	94.3	Very high	96.6	Very high	16 Å²	16	37.7 Å²	37.7	9%	0.086	19%	0.188	C	C	.	.	S	Bend	trans	-107.7	-165.9	-179.1	74.2	-5	0	0	0	111.4	E207 N211 L212 F253 Y255	E207-D209 HydrophobicContact CG-CB 4.07Å; E207-D209 PolarHBondContact O-N 3.37Å; D209-N211 VanDerWaalsContact C-N 3.28Å; D209-N211 PolarHBondContact O-N 3.42Å; D209-N211 WeakPolarHBondContact OD1-CA 3.03Å; D209-N211 VanDerWaalsContact OD1-CB 3.3Å; D209-N211 WeakPolarHBondContact OD1-CB 3.39Å; D209-N211 PolarHBondContact OD1-N 2.91Å; D209-N211 PolarHBondContact OD2-ND2 2.99Å; D209-L212 PolarHBondContact O-N 3.4Å; D209-L212 PolarHBondContact OD1-N 3.38Å; D209-F253 WeakPolarHBondContact O-CB 3.47Å; D209-Y255 WeakPolarHBondContact CB-O 3.46Å
210	C	93.6	Very high	96.5	Very high	45 Å²	45	41 Å²	41	30%	0.304	20%	0.203	S	C	.	.	S	Bend	trans	-65.9	-23.7	176.8	84.2	0	0	0	0	115.4	R213 F253 C256	C210-R213 VanDerWaalsContact O-CB 3.22Å; C210-R213 WeakPolarHBondContact O-CB 3.48Å; C210-R213 PolarHBondContact O-N 3.5Å; C210-F253 WeakPolarHBondContact CA-O 3.18Å; C210-F253 PolarHBondContact N-O 3.13Å; C210-C256 WeakPolarHBondContact CA-SG 3.31Å; C210-C256 HydrophobicContact CB-CB 4.08Å; C210-C256 WeakPolarHBondContact CB-SG 3.3Å; C210-C256 PolarHBondContact N-SG 3.23Å; C210-C256 WeakPolarHBondContact SG-CB 3.4Å; C210-C256 CovalentContact SG-SG 2.02Å; C210-C256 PolarHBondContact SG-SG 3.01Å
211	N	93.3	Very high	96.4	Very high	108 Å²	108	44.3 Å²	44.3	58%	0.578	21%	0.214	S	C	*	.	S	Bend	trans	-73.5	-33.3	179.8	-60.5	-53.6	0	0	0	111.1	D209 R213	D209-N211 VanDerWaalsContact C-N 3.28Å; D209-N211 PolarHBondContact O-N 3.42Å; D209-N211 WeakPolarHBondContact OD1-CA 3.03Å; D209-N211 VanDerWaalsContact OD1-CB 3.3Å; D209-N211 WeakPolarHBondContact OD1-CB 3.39Å; D209-N211 PolarHBondContact OD1-N 2.91Å; D209-N211 PolarHBondContact OD2-ND2 2.99Å; N211-R213 VanDerWaalsContact C-N 3.28Å; N211-R213 PolarHBondContact O-N 3.04Å
212	L	96.1	Very high	96.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.214	C	C	.	.	S	Bend	trans	-80.6	-8.7	177.2	-164.5	61.3	0	0	0	113.2	L185 W206 E207 D209 D214 F215 K216 I245 F253	L185-L212 HydrophobicContact CB-CD1 4.28Å; W206-L212 HydrophobicContact CE3-CD1 4.31Å; W206-L212 HydrophobicContact CE3-CD2 4.26Å; W206-L212 HydrophobicContact CZ3-CD1 4.44Å; E207-L212 WeakPolarHBondContact O-CB 3.47Å; D209-L212 PolarHBondContact O-N 3.4Å; D209-L212 PolarHBondContact OD1-N 3.38Å; L212-D214 PolarHBondContact O-N 2.79Å; L212-F215 HydrophobicContact CD1-CB 4.11Å; L212-F215 HydrophobicContact CD1-CD1 3.68Å; L212-F215 HydrophobicContact CD1-CG 4.17Å; L212-F215 HydrophobicContact CG-CD1 4.42Å; L212-F215 PolarHBondContact O-N 3.26Å; L212-K216 WeakPolarHBondContact O-CB 2.98Å; L212-K216 PolarHBondContact O-N 3.21Å; L212-I245 HydrophobicContact CD2-CD1 3.98Å; L212-F253 HydrophobicContact CB-CD1 4.33Å; L212-F253 HydrophobicContact CD2-CE1 4.22Å; L212-F253 HydrophobicContact CG-CE1 4.49Å
213	R	95.6	Very high	96.4	Very high	94 Å²	94	46.9 Å²	46.9	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-46.3	-174.3	-172.6	-178.3	175.3	-147.4	-2.2	113.7	C210 N211 F215 K216 H217 V250 F253	C210-R213 VanDerWaalsContact O-CB 3.22Å; C210-R213 WeakPolarHBondContact O-CB 3.48Å; C210-R213 PolarHBondContact O-N 3.5Å; N211-R213 VanDerWaalsContact C-N 3.28Å; N211-R213 PolarHBondContact O-N 3.04Å; R213-F215 VanDerWaalsContact C-N 3.33Å; R213-K216 WeakPolarHBondContact O-CB 3.02Å; R213-K216 PolarHBondContact O-N 3.26Å; R213-H217 PolarHBondContact O-N 3.31Å; R213-V250 HydrophobicContact CG-CG2 3.79Å; R213-F253 HydrophobicContact CB-CB 3.94Å; R213-F253 HydrophobicContact CG-CB 4.1Å
214	D	95.8	Very high	96.4	Very high	95 Å²	95	49.2 Å²	49.2	51%	0.508	23%	0.229	S	C	.	.	H	α-helix	trans	-69.2	-36.6	-178.2	-73.5	-31.7	0	0	0	111.7	R187 L212 H217 W218	R187-D214 HydrophobicContact CB-CB 4.02Å; L212-D214 PolarHBondContact O-N 2.79Å; D214-H217 PolarHBondContact O-N 2.92Å; D214-W218 PolarHBondContact O-N 2.89Å
215	F	97.1	Very high	96.3	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-40.8	171.9	174.3	-93.9	0	0	0	111.5	L185 F190 L199 L201 L212 R213 H217 W218 M219	L185-F215 HydrophobicContact CB-CB 4.13Å; L185-F215 HydrophobicContact CB-CD1 4.18Å; L185-F215 HydrophobicContact CB-CD2 3.64Å; L185-F215 HydrophobicContact CB-CE2 4.14Å; L185-F215 HydrophobicContact CB-CG 3.68Å; L185-F215 HydrophobicContact CD1-CD1 4.36Å; L185-F215 HydrophobicContact CD1-CD2 4.03Å; L185-F215 HydrophobicContact CD1-CE1 4.01Å; L185-F215 HydrophobicContact CD1-CE2 3.64Å; L185-F215 HydrophobicContact CD1-CG 4.39Å; L185-F215 HydrophobicContact CD1-CZ 3.66Å; L185-F215 WeakPolarHBondContact O-CB 3.45Å; F190-F215 AromaticContact CD2-CD2 3.95Å; F190-F215 HydrophobicContact CD2-CD2 3.95Å; F190-F215 AromaticContact CD2-CE2 3.88Å; F190-F215 HydrophobicContact CD2-CE2 3.88Å; F190-F215 HydrophobicContact CE2-CD2 4.12Å; F190-F215 AromaticContact CE2-CE2 3.96Å; F190-F215 HydrophobicContact CE2-CE2 3.96Å; F190-F215 HydrophobicContact CG-CE2 4.2Å; F190-F215 HydrophobicContact CZ-CE2 4.32Å; L199-F215 HydrophobicContact CD2-CZ 4.28Å; L201-F215 HydrophobicContact CD1-CE1 3.9Å; L201-F215 HydrophobicContact CD1-CE2 4.43Å; L201-F215 HydrophobicContact CD1-CZ 3.41Å; L201-F215 VanDerWaalsContact CD1-CZ 3.41Å; L212-F215 HydrophobicContact CD1-CB 4.11Å; L212-F215 HydrophobicContact CD1-CD1 3.68Å; L212-F215 HydrophobicContact CD1-CG 4.17Å; L212-F215 HydrophobicContact CG-CD1 4.42Å; L212-F215 PolarHBondContact O-N 3.26Å; R213-F215 VanDerWaalsContact C-N 3.33Å; F215-H217 VanDerWaalsContact C-N 3.31Å; F215-H217 PolarHBondContact O-N 3.47Å; F215-W218 AromaticContact CD2-CE3 4Å; F215-W218 HydrophobicContact CD2-CE3 4Å; F215-W218 HydrophobicContact CD2-CZ3 4.48Å; F215-W218 AromaticContact CE2-CE3 3.56Å; F215-W218 HydrophobicContact CE2-CE3 3.56Å; F215-W218 AromaticContact CE2-CZ3 3.64Å; F215-W218 HydrophobicContact CE2-CZ3 3.64Å; F215-W218 HydrophobicContact CZ-CE3 4.19Å; F215-W218 HydrophobicContact CZ-CZ3 4.12Å; F215-W218 PolarHBondContact O-N 2.8Å; F215-W218 VanDerWaalsContact O-N 3.11Å; F215-M219 HydrophobicContact CE1-CB 4.21Å; F215-M219 HydrophobicContact CE1-SD 4.27Å; F215-M219 HydrophobicContact CZ-CB 4.35Å; F215-M219 WeakPolarHBondContact O-CB 3.27Å; F215-M219 PolarHBondContact O-N 3.3Å
216	K	96.7	Very high	96.2	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-55.3	-45.9	173.7	169.5	55.7	164.5	142.5	0	111.4	L212 R213 M219 E220 I245 R246 V248 V250 F253	L212-K216 WeakPolarHBondContact O-CB 2.98Å; L212-K216 PolarHBondContact O-N 3.21Å; R213-K216 WeakPolarHBondContact O-CB 3.02Å; R213-K216 PolarHBondContact O-N 3.26Å; K216-M219 HydrophobicContact CD-CE 3.61Å; K216-M219 PolarHBondContact O-N 2.83Å; K216-E220 HydrophobicContact CD-CG 4.28Å; K216-E220 VanDerWaalsContact CE-OE1 3.23Å; K216-E220 WeakPolarHBondContact CE-OE1 3.48Å; K216-E220 IonicContact NZ-OE1 3.1Å; K216-E220 PolarHBondContact NZ-OE1 3.36Å; K216-E220 WeakPolarHBondContact O-CG 3.31Å; K216-E220 PolarHBondContact O-N 3.23Å; K216-I245 HydrophobicContact CD-CG2 4.04Å; K216-I245 WeakPolarHBondContact CE-O 3.28Å; K216-I245 PolarHBondContact NZ-O 2.91Å; K216-I245 VanDerWaalsContact NZ-O 3.12Å; K216-R246 PolarHBondContact NZ-O 3.33Å; K216-R246 VanDerWaalsContact NZ-O 3.12Å; K216-V248 WeakPolarHBondContact CE-O 3.41Å; K216-V248 PolarHBondContact NZ-O 2.86Å; K216-V250 HydrophobicContact CG-CB 4.37Å; K216-V250 HydrophobicContact CG-CG2 4.01Å; K216-F253 HydrophobicContact CG-CD2 4.46Å; K216-F253 HydrophobicContact CG-CE2 4.18Å; K216-F253 HydrophobicContact CG-CZ 4.34Å
217	H	96.1	Very high	96.3	Very high	73 Å²	73	55.6 Å²	55.6	34%	0.338	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-44.6	174	-80.8	-53.4	0	0	0	113.2	R213 D214 F215 M219 E220 W221 V250	R213-H217 PolarHBondContact O-N 3.31Å; D214-H217 PolarHBondContact O-N 2.92Å; F215-H217 VanDerWaalsContact C-N 3.31Å; F215-H217 PolarHBondContact O-N 3.47Å; H217-M219 VanDerWaalsContact C-N 3.32Å; H217-M219 PolarHBondContact O-N 2.03Å; H217-E220 IonicContact ND1-OE2 3.59Å; H217-E220 PolarHBondContact O-N 3.12Å; H217-W221 PolarHBondContact O-N 3.26Å; H217-W221 VanDerWaalsContact O-N 3.1Å; H217-V250 VanDerWaalsContact CE1-CG2 3.49Å; H217-V250 WeakPolarHBondContact CE1-CG2 3.43Å; H217-V250 WeakPolarHBondContact NE2-CG2 3.48Å
218	W	97.4	Very high	96.4	Very high	13 Å²	13	58.7 Å²	58.7	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-40.1	176.8	175.4	90.8	0	0	0	112.1	R187 F190 L196 L199 D214 F215 W221 L222	R187-W218 HydrophobicContact CB-CB 4.46Å; R187-W218 HydrophobicContact CG-CB 4.01Å; R187-W218 HydrophobicContact CG-CG 4.34Å; F190-W218 HydrophobicContact CB-CD2 4Å; F190-W218 HydrophobicContact CB-CE3 4.14Å; F190-W218 HydrophobicContact CB-CH2 3.6Å; F190-W218 HydrophobicContact CB-CZ2 3.43Å; F190-W218 VanDerWaalsContact CB-CZ2 3.43Å; F190-W218 HydrophobicContact CB-CZ3 3.95Å; F190-W218 HydrophobicContact CD1-CH2 4.05Å; F190-W218 HydrophobicContact CD1-CZ3 4.29Å; F190-W218 HydrophobicContact CG-CH2 4.09Å; F190-W218 HydrophobicContact CG-CZ2 4.4Å; F190-W218 HydrophobicContact CG-CZ3 4.18Å; L196-W218 HydrophobicContact CD2-CH2 3.94Å; L199-W218 HydrophobicContact CD2-CH2 3.98Å; L199-W218 HydrophobicContact CD2-CZ3 3.67Å; D214-W218 PolarHBondContact O-N 2.89Å; F215-W218 AromaticContact CD2-CE3 4Å; F215-W218 HydrophobicContact CD2-CE3 4Å; F215-W218 HydrophobicContact CD2-CZ3 4.48Å; F215-W218 AromaticContact CE2-CE3 3.56Å; F215-W218 HydrophobicContact CE2-CE3 3.56Å; F215-W218 AromaticContact CE2-CZ3 3.64Å; F215-W218 HydrophobicContact CE2-CZ3 3.64Å; F215-W218 HydrophobicContact CZ-CE3 4.19Å; F215-W218 HydrophobicContact CZ-CZ3 4.12Å; F215-W218 PolarHBondContact O-N 2.8Å; F215-W218 VanDerWaalsContact O-N 3.11Å; W218-W221 WeakPolarHBondContact O-CB 3.37Å; W218-W221 PolarHBondContact O-N 3.39Å; W218-L222 HydrophobicContact CH2-CD2 3.81Å; W218-L222 HydrophobicContact CZ3-CD2 4.05Å; W218-L222 PolarHBondContact O-N 3.33Å
219	M	97.3	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-42.2	177.3	-175.6	-172.7	61.9	0	0	111.6	F215 K216 H217 W221 L222 L223 V229 L232 I245 R246	F215-M219 HydrophobicContact CE1-CB 4.21Å; F215-M219 HydrophobicContact CE1-SD 4.27Å; F215-M219 HydrophobicContact CZ-CB 4.35Å; F215-M219 WeakPolarHBondContact O-CB 3.27Å; F215-M219 PolarHBondContact O-N 3.3Å; K216-M219 HydrophobicContact CD-CE 3.61Å; K216-M219 PolarHBondContact O-N 2.83Å; H217-M219 VanDerWaalsContact C-N 3.32Å; H217-M219 PolarHBondContact O-N 2.03Å; M219-W221 VanDerWaalsContact C-N 3.29Å; M219-W221 PolarHBondContact O-N 2.03Å; M219-L222 WeakPolarHBondContact O-CB 3.48Å; M219-L222 PolarHBondContact O-N 3.33Å; M219-L223 HydrophobicContact CG-CD1 4.49Å; M219-L223 WeakPolarHBondContact O-CG 3.33Å; M219-L223 PolarHBondContact O-N 2.74Å; M219-V229 HydrophobicContact CG-CG1 4.42Å; M219-V229 HydrophobicContact CG-CG2 3.96Å; M219-V229 HydrophobicContact SD-CG1 4.01Å; M219-L232 HydrophobicContact SD-CD1 3.6Å; M219-L232 VanDerWaalsContact SD-CD1 3.6Å; M219-I245 HydrophobicContact CE-CG2 3.75Å; M219-R246 HydrophobicContact CE-CG 4.13Å; M219-R246 HydrophobicContact SD-CG 4.38Å
220	E	96.6	Very high	96.6	Very high	69 Å²	69	60.3 Å²	60.3	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-40.2	173.7	-74	175.9	166	0	0	111.9	K216 H217 L223 Y224	K216-E220 HydrophobicContact CD-CG 4.28Å; K216-E220 VanDerWaalsContact CE-OE1 3.23Å; K216-E220 WeakPolarHBondContact CE-OE1 3.48Å; K216-E220 IonicContact NZ-OE1 3.1Å; K216-E220 PolarHBondContact NZ-OE1 3.36Å; K216-E220 WeakPolarHBondContact O-CG 3.31Å; K216-E220 PolarHBondContact O-N 3.23Å; H217-E220 IonicContact ND1-OE2 3.59Å; H217-E220 PolarHBondContact O-N 3.12Å; E220-L223 PolarHBondContact O-N 2.99Å; E220-Y224 WeakPolarHBondContact O-CB 3.21Å; E220-Y224 PolarHBondContact O-N 2.94Å
221	W	96.3	Very high	96.7	Very high	121 Å²	121	60.8 Å²	60.8	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-42.1	173.3	170.4	88.8	0	0	0	112.3	H217 W218 M219 L223 Y224 R225	H217-W221 PolarHBondContact O-N 3.26Å; H217-W221 VanDerWaalsContact O-N 3.1Å; W218-W221 WeakPolarHBondContact O-CB 3.37Å; W218-W221 PolarHBondContact O-N 3.39Å; M219-W221 VanDerWaalsContact C-N 3.29Å; M219-W221 PolarHBondContact O-N 2.03Å; W221-L223 VanDerWaalsContact C-N 3.33Å; W221-L223 PolarHBondContact O-N 2.89Å; W221-Y224 PolarHBondContact O-N 3.22Å; W221-R225 WeakPolarHBondContact O-CG 3.39Å; W221-R225 PolarHBondContact O-N 2.83Å
222	L	97.5	Very high	96.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-45.2	175.6	176.5	64.8	0	0	0	111	L196 L199 W218 M219 R225 G227 V229	L196-L222 HydrophobicContact CB-CD1 4.49Å; L196-L222 HydrophobicContact CD2-CD2 4.27Å; L196-L222 WeakPolarHBondContact O-CD1 3.41Å; L199-L222 HydrophobicContact CB-CD2 4.16Å; L199-L222 HydrophobicContact CD2-CD2 4.13Å; W218-L222 HydrophobicContact CH2-CD2 3.81Å; W218-L222 HydrophobicContact CZ3-CD2 4.05Å; W218-L222 PolarHBondContact O-N 3.33Å; M219-L222 WeakPolarHBondContact O-CB 3.48Å; M219-L222 PolarHBondContact O-N 3.33Å; L222-R225 VanDerWaalsContact O-CG 3.22Å; L222-R225 WeakPolarHBondContact O-CG 3.27Å; L222-R225 PolarHBondContact O-N 2.94Å; L222-G227 VanDerWaalsContact O-CA 3.31Å; L222-G227 WeakPolarHBondContact O-CA 3.36Å; L222-G227 PolarHBondContact O-N 3.34Å; L222-V229 HydrophobicContact CD2-CG2 3.91Å
223	L	97.2	Very high	96.8	Very high	60 Å²	60	61.6 Å²	61.6	31%	0.314	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-42.5	176.5	-68.1	170.1	0	0	0	111.8	M219 E220 W221 R225 G226 V229 R246	M219-L223 HydrophobicContact CG-CD1 4.49Å; M219-L223 WeakPolarHBondContact O-CG 3.33Å; M219-L223 PolarHBondContact O-N 2.74Å; E220-L223 PolarHBondContact O-N 2.99Å; W221-L223 VanDerWaalsContact C-N 3.33Å; W221-L223 PolarHBondContact O-N 2.89Å; L223-R225 VanDerWaalsContact C-N 3.3Å; L223-R225 PolarHBondContact O-N 3.05Å; L223-G226 PolarHBondContact O-N 2.75Å; L223-V229 HydrophobicContact CD2-CB 4.12Å; L223-V229 HydrophobicContact CD2-CG2 3.86Å; L223-V229 HydrophobicContact CG-CG2 4.22Å; L223-R246 HydrophobicContact CD1-CG 4.38Å
224	Y	96.9	Very high	96.9	Very high	206 Å²	206	57.2 Å²	57.2	81%	0.808	28%	0.282	S	S	*	.	H	α-helix	trans	-58.7	-38.9	179.4	173.6	-100.7	0	0	0	112.9	E220 W221 G226	E220-Y224 WeakPolarHBondContact O-CB 3.21Å; E220-Y224 PolarHBondContact O-N 2.94Å; W221-Y224 PolarHBondContact O-N 3.22Å; Y224-G226 PolarHBondContact O-N 3.26Å
225	R	96.8	Very high	96.9	Very high	114 Å²	114	55.4 Å²	55.4	43%	0.43	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	10.4	177.8	67.8	180	-66.9	-165	-6.9	114.5	V194 W221 L222 L223	V194-R225 VanDerWaalsContact O-CZ 3.25Å; V194-R225 PolarHBondContact O-NH1 3.11Å; V194-R225 PolarHBondContact O-NH2 3.05Å; W221-R225 WeakPolarHBondContact O-CG 3.39Å; W221-R225 PolarHBondContact O-N 2.83Å; L222-R225 VanDerWaalsContact O-CG 3.22Å; L222-R225 WeakPolarHBondContact O-CG 3.27Å; L222-R225 PolarHBondContact O-N 2.94Å; L223-R225 VanDerWaalsContact C-N 3.3Å; L223-R225 PolarHBondContact O-N 3.05Å
226	G	97	Very high	96.8	Very high	60 Å²	60	58.7 Å²	58.7	62%	0.619	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	10.4	176.7	0	0	0	0	0	115.3	L223 Y224	L223-G226 PolarHBondContact O-N 2.75Å; Y224-G226 PolarHBondContact O-N 3.26Å
227	G	98	Very high	96.7	Very high	10 Å²	10	60.9 Å²	60.9	10%	0.103	31%	0.306	C	S	.	.			trans	-67.7	160.2	169.6	0	0	0	0	0	111.9	Q197 L222	Q197-G227 CarbonylContact O-C 3.36Å; Q197-G227 VanDerWaalsContact O-CA 3.31Å; Q197-G227 WeakPolarHBondContact O-CA 3.32Å; L222-G227 VanDerWaalsContact O-CA 3.31Å; L222-G227 WeakPolarHBondContact O-CA 3.36Å; L222-G227 PolarHBondContact O-N 3.34Å
228	K	98.2	Very high	96.5	Very high	141 Å²	141	65.8 Å²	65.8	61%	0.613	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.2	179.4	-65	-179.4	-177.3	177.8	0	109.5	Q197 H198 L199	Q197-K228 PolarHBondContact O-N 3.04Å; H198-K228 WeakPolarHBondContact CA-O 3.44Å; L199-K228 PolarHBondContact N-O 2.97Å
229	V	98.1	Very high	96.2	Very high	8 Å²	8	72.2 Å²	72.2	5%	0.048	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.2	172	-170.9	0	0	0	0	107.5	L199 M219 L222 L223 L232 R246	L199-V229 HydrophobicContact CB-CG2 4.33Å; L199-V229 WeakPolarHBondContact O-CA 3.5Å; M219-V229 HydrophobicContact CG-CG1 4.42Å; M219-V229 HydrophobicContact CG-CG2 3.96Å; M219-V229 HydrophobicContact SD-CG1 4.01Å; L222-V229 HydrophobicContact CD2-CG2 3.91Å; L223-V229 HydrophobicContact CD2-CB 4.12Å; L223-V229 HydrophobicContact CD2-CG2 3.86Å; L223-V229 HydrophobicContact CG-CG2 4.22Å; V229-L232 HydrophobicContact CG1-CD1 3.88Å; V229-L232 HydrophobicContact CG1-CG 4.33Å; V229-R246 PolarHBondContact O-NH1 3.01Å
230	D	97.2	Very high	96.1	Very high	43 Å²	43	72.7 Å²	72.7	23%	0.23	36%	0.364	C	S	.	.			trans	-66.5	178.9	175.4	63.8	-22.9	0	0	0	112.3	L199 E200 L201 G202 L232 R246	L199-D230 PolarHBondContact O-N 3.21Å; E200-D230 WeakPolarHBondContact CA-OD1 3.44Å; L201-D230 PolarHBondContact N-OD1 2.81Å; L201-D230 PolarHBondContact N-OD2 3.36Å; G202-D230 WeakPolarHBondContact CA-OD2 3.24Å; G202-D230 PolarHBondContact N-OD1 3.12Å; G202-D230 PolarHBondContact N-OD2 3.15Å; D230-L232 WeakPolarHBondContact OD1-CD2 3.4Å; D230-R246 WeakPolarHBondContact O-CD 3.08Å; D230-R246 PolarHBondContact O-NE 3.21Å; D230-R246 PolarHBondContact O-NH1 2.96Å
231	A	95.1	Very high	96.1	Very high	55 Å²	55	78 Å²	78	46%	0.455	38%	0.382	S	S	.	.			trans	-75.6	130.2	179.7	0	0	0	0	0	110.5
232	L	95.2	Very high	96.1	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	38%	0.381	C	S	.	.			trans	-122.5	115.1	-175.4	-50.7	177.5	0	0	0	109.3	L201 M219 V229 D230 D244 I245	L201-L232 HydrophobicContact CB-CD1 4.22Å; L201-L232 HydrophobicContact CB-CD2 3.27Å; L201-L232 HydrophobicContact CB-CG 4.37Å; L201-L232 HydrophobicContact CD1-CD1 4.29Å; M219-L232 HydrophobicContact SD-CD1 3.6Å; M219-L232 VanDerWaalsContact SD-CD1 3.6Å; V229-L232 HydrophobicContact CG1-CD1 3.88Å; V229-L232 HydrophobicContact CG1-CG 4.33Å; D230-L232 WeakPolarHBondContact OD1-CD2 3.4Å; L232-D244 CarbonylContact O-C 3.51Å; L232-D244 WeakPolarHBondContact O-CA 3.49Å; L232-I245 HydrophobicContact CB-CB 3.98Å; L232-I245 HydrophobicContact CB-CD1 3.72Å; L232-I245 HydrophobicContact CB-CG1 3.89Å; L232-I245 HydrophobicContact CD1-CB 4.49Å; L232-I245 HydrophobicContact CD1-CD1 4.39Å; L232-I245 WeakPolarHBondContact O-CG1 3.48Å; L232-I245 PolarHBondContact O-N 2.91Å
233	E	96.6	Very high	96	Very high	125 Å²	125	80.4 Å²	80.4	58%	0.584	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-97.7	127.3	-179.1	-65.6	-178.4	-175.3	0	0	110.9	T235 R243	E233-T235 PolarHBondContact O-N 3.21Å; E233-R243 WeakPolarHBondContact CA-O 3.35Å
234	C	97.4	Very high	96	Very high	1 Å²	1	79.9 Å²	79.9	1%	0.007	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.7	169.3	-62.9	0	0	0	0	109.7	C208 L240 R241 G242 R243	C208-C234 HydrophobicContact CB-CB 3.87Å; C208-C234 WeakPolarHBondContact CB-SG 3.49Å; C208-C234 VanDerWaalsContact SG-CA 3.55Å; C208-C234 WeakPolarHBondContact SG-CB 3.34Å; C208-C234 CovalentContact SG-SG 2.03Å; C208-C234 PolarHBondContact SG-SG 3.49Å; C234-L240 HydrophobicContact CB-CB 4.07Å; C234-L240 VanDerWaalsContact CB-O 3.27Å; C234-L240 WeakPolarHBondContact CB-O 3.32Å; C234-R241 CarbonylContact O-C 3.6Å; C234-R241 VanDerWaalsContact O-CA 3.3Å; C234-R241 WeakPolarHBondContact O-CA 3.3Å; C234-G242 PolarHBondContact O-N 3.27Å; C234-R243 PolarHBondContact N-O 3.49Å
235	T	97	Very high	96	Very high	57 Å²	57	70.2 Å²	70.2	35%	0.35	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-39	169.1	-61.1	0	0	0	0	110.7	P205 W206 E233	P205-T235 WeakPolarHBondContact CA-OG1 3.17Å; W206-T235 WeakPolarHBondContact O-CA 3.44Å; W206-T235 WeakPolarHBondContact O-CB 3.39Å; W206-T235 PolarHBondContact O-N 3.1Å; E233-T235 PolarHBondContact O-N 3.21Å
236	L	93.9	Very high	95.9	Very high	74 Å²	74	69.1 Å²	69.1	39%	0.387	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.8	175.5	-69.6	171.9	0	0	0	109.8	W206 E207 C208	W206-L236 PolarHBondContact O-N 2.83Å; W206-L236 VanDerWaalsContact O-N 3.15Å; E207-L236 HydrophobicContact CB-CB 4.41Å; E207-L236 HydrophobicContact CG-CB 4.06Å; C208-L236 WeakPolarHBondContact CB-O 3.34Å; C208-L236 PolarHBondContact N-O 3.32Å
237	P	93.8	Very high	95.9	Very high	47 Å²	47	69.2 Å²	69.2	31%	0.305	36%	0.36	S	S	.	.	S	Bend	cis	-69.1	171.2	-12.3	31.3	-36.6	0	0	0	112.1	C208 D239 L240 R241	C208-P237 WeakPolarHBondContact O-CD 3.45Å; P237-D239 PolarHBondContact O-N 3.42Å; P237-D239 VanDerWaalsContact O-N 3.15Å; P237-L240 HydrophobicContact CG-CB 4.41Å; P237-L240 HydrophobicContact CG-CD1 4.22Å; P237-L240 HydrophobicContact CG-CG 4.26Å; P237-L240 PolarHBondContact O-N 2.86Å; P237-R241 PolarHBondContact O-N 2.91Å; P237-R241 VanDerWaalsContact O-N 3.13Å
238	K	91.9	Very high	95.7	Very high	176 Å²	176	68.8 Å²	68.8	77%	0.765	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-54.3	-36.4	-176.2	-70.6	-178.5	-178.8	174.6	0	113.6	L240 R241	K238-L240 VanDerWaalsContact C-N 3.27Å; K238-L240 PolarHBondContact O-N 3.16Å; K238-R241 WeakPolarHBondContact O-CB 3.26Å; K238-R241 PolarHBondContact O-N 3.41Å
239	D	92.7	Very high	95.6	Very high	147 Å²	147	64.8 Å²	64.8	79%	0.786	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-70.4	-24.4	-177.2	-57.3	-34.1	0	0	0	113.1	P237	P237-D239 PolarHBondContact O-N 3.42Å; P237-D239 VanDerWaalsContact O-N 3.15Å
240	L	94.6	Very high	95.3	Very high	10 Å²	10	65 Å²	65	5%	0.052	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-101.5	-2.6	177.1	-62.2	-178.3	0	0	0	112.5	C208 C234 P237 K238 G242 R243 V248 M252	C208-L240 HydrophobicContact CB-CD1 3.92Å; C234-L240 HydrophobicContact CB-CB 4.07Å; C234-L240 VanDerWaalsContact CB-O 3.27Å; C234-L240 WeakPolarHBondContact CB-O 3.32Å; P237-L240 HydrophobicContact CG-CB 4.41Å; P237-L240 HydrophobicContact CG-CD1 4.22Å; P237-L240 HydrophobicContact CG-CG 4.26Å; P237-L240 PolarHBondContact O-N 2.86Å; K238-L240 VanDerWaalsContact C-N 3.27Å; K238-L240 PolarHBondContact O-N 3.16Å; L240-G242 PolarHBondContact O-N 2.95Å; L240-R243 WeakPolarHBondContact O-CB 3.35Å; L240-R243 VanDerWaalsContact O-CG 3.22Å; L240-R243 WeakPolarHBondContact O-CG 3.38Å; L240-R243 PolarHBondContact O-N 3.23Å; L240-V248 HydrophobicContact CD1-CG1 4.12Å; L240-V248 HydrophobicContact CD2-CG1 3.9Å; L240-V248 HydrophobicContact CD2-CG2 4.44Å; L240-M252 HydrophobicContact CD1-CB 4.26Å; L240-M252 HydrophobicContact CD2-CB 4.41Å; L240-M252 HydrophobicContact CD2-SD 3.96Å
241	R	95.9	Very high	95.1	Very high	182 Å²	182	68.9 Å²	68.9	69%	0.687	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	130.5	-173.8	-173.2	175	-179	-170.2	1.9	112.2	C234 P237 K238 R243	C234-R241 CarbonylContact O-C 3.6Å; C234-R241 VanDerWaalsContact O-CA 3.3Å; C234-R241 WeakPolarHBondContact O-CA 3.3Å; P237-R241 PolarHBondContact O-N 2.91Å; P237-R241 VanDerWaalsContact O-N 3.13Å; K238-R241 WeakPolarHBondContact O-CB 3.26Å; K238-R241 PolarHBondContact O-N 3.41Å; R241-R243 PolarHBondContact O-N 2.77Å
242	G	96.1	Very high	94.9	Very high	43 Å²	43	71.2 Å²	71.2	44%	0.443	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	1.8	-178.4	0	0	0	0	0	114.5	C234 L240	C234-G242 PolarHBondContact O-N 3.27Å; L240-G242 PolarHBondContact O-N 2.95Å
243	R	96.6	Very high	94.8	Very high	129 Å²	129	71.1 Å²	71.1	49%	0.487	36%	0.364	S	S	.	.			trans	-81.8	140.5	174.5	-59.3	-70.3	-68.8	-84.2	-4.2	109.8	E233 C234 L240 R241 I245 V248	E233-R243 WeakPolarHBondContact CA-O 3.35Å; C234-R243 PolarHBondContact N-O 3.49Å; L240-R243 WeakPolarHBondContact O-CB 3.35Å; L240-R243 VanDerWaalsContact O-CG 3.22Å; L240-R243 WeakPolarHBondContact O-CG 3.38Å; L240-R243 PolarHBondContact O-N 3.23Å; R241-R243 PolarHBondContact O-N 2.77Å; R243-I245 PolarHBondContact O-N 3.38Å; R243-V248 HydrophobicContact CB-CG2 3.8Å
244	D	97.1	Very high	94.3	Very high	48 Å²	48	69.5 Å²	69.5	26%	0.257	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-71.4	117.5	173.6	-169.7	-30.8	0	0	0	110.7	L232 R246 G247 V248	L232-D244 CarbonylContact O-C 3.51Å; L232-D244 WeakPolarHBondContact O-CA 3.49Å; D244-R246 PolarHBondContact O-N 3.09Å; D244-R246 VanDerWaalsContact O-N 3.07Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 WeakPolarHBondContact OD1-CG 3.47Å; D244-R246 IonicContact OD1-CZ 2.76Å; D244-R246 PolarHBondContact OD1-N 3.47Å; D244-R246 IonicContact OD1-NE 3.49Å; D244-R246 PolarHBondContact OD1-NE 3.34Å; D244-R246 VanDerWaalsContact OD1-NE 3.08Å; D244-R246 IonicContact OD2-CZ 2.69Å; D244-R246 VanDerWaalsContact OD2-CZ 3.28Å; D244-R246 IonicContact OD2-NE 4Å; D244-R246 PolarHBondContact OD2-NE 3.41Å; D244-R246 VanDerWaalsContact OD2-NE 3.1Å; D244-R246 IonicContact OD2-NH2 2.98Å; D244-R246 PolarHBondContact OD2-NH2 3.41Å; D244-G247 PolarHBondContact O-N 3.38Å; D244-V248 WeakPolarHBondContact O-CG2 3.26Å; D244-V248 PolarHBondContact O-N 3.35Å
245	I	96.8	Very high	93.5	Very high	3 Å²	3	77.1 Å²	77.1	2%	0.015	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-49.9	-36.4	-179.8	-61.8	-179.3	0	0	0	111.3	W206 L212 K216 M219 L232 R243 G247 V248 F253	W206-I245 HydrophobicContact CB-CD1 3.79Å; W206-I245 HydrophobicContact CD2-CD1 4.3Å; W206-I245 HydrophobicContact CG-CD1 3.7Å; L212-I245 HydrophobicContact CD2-CD1 3.98Å; K216-I245 HydrophobicContact CD-CG2 4.04Å; K216-I245 WeakPolarHBondContact CE-O 3.28Å; K216-I245 PolarHBondContact NZ-O 2.91Å; K216-I245 VanDerWaalsContact NZ-O 3.12Å; M219-I245 HydrophobicContact CE-CG2 3.75Å; L232-I245 HydrophobicContact CB-CB 3.98Å; L232-I245 HydrophobicContact CB-CD1 3.72Å; L232-I245 HydrophobicContact CB-CG1 3.89Å; L232-I245 HydrophobicContact CD1-CB 4.49Å; L232-I245 HydrophobicContact CD1-CD1 4.39Å; L232-I245 WeakPolarHBondContact O-CG1 3.48Å; L232-I245 PolarHBondContact O-N 2.91Å; R243-I245 PolarHBondContact O-N 3.38Å; I245-G247 PolarHBondContact O-N 2.87Å; I245-V248 PolarHBondContact O-N 2.93Å; I245-F253 HydrophobicContact CG2-CE1 4.3Å; I245-F253 HydrophobicContact CG2-CZ 3.89Å
246	R	95.6	Very high	92.8	Very high	92 Å²	92	76 Å²	76	35%	0.347	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-60.8	-36.2	-178.9	-61.5	174.6	-62.2	174.6	5.3	111.6	K216 M219 L223 V229 D230 D244	K216-R246 PolarHBondContact NZ-O 3.33Å; K216-R246 VanDerWaalsContact NZ-O 3.12Å; M219-R246 HydrophobicContact CE-CG 4.13Å; M219-R246 HydrophobicContact SD-CG 4.38Å; L223-R246 HydrophobicContact CD1-CG 4.38Å; V229-R246 PolarHBondContact O-NH1 3.01Å; D230-R246 WeakPolarHBondContact O-CD 3.08Å; D230-R246 PolarHBondContact O-NE 3.21Å; D230-R246 PolarHBondContact O-NH1 2.96Å; D244-R246 PolarHBondContact O-N 3.09Å; D244-R246 VanDerWaalsContact O-N 3.07Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 WeakPolarHBondContact OD1-CG 3.47Å; D244-R246 IonicContact OD1-CZ 2.76Å; D244-R246 PolarHBondContact OD1-N 3.47Å; D244-R246 IonicContact OD1-NE 3.49Å; D244-R246 PolarHBondContact OD1-NE 3.34Å; D244-R246 VanDerWaalsContact OD1-NE 3.08Å; D244-R246 IonicContact OD2-CZ 2.69Å; D244-R246 VanDerWaalsContact OD2-CZ 3.28Å; D244-R246 IonicContact OD2-NE 4Å; D244-R246 PolarHBondContact OD2-NE 3.41Å; D244-R246 VanDerWaalsContact OD2-NE 3.1Å; D244-R246 IonicContact OD2-NH2 2.98Å; D244-R246 PolarHBondContact OD2-NH2 3.41Å
247	G	95.1	Very high	91.4	Very high	61 Å²	61	78.4 Å²	78.4	63%	0.629	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-92.7	-7.6	-179.7	0	0	0	0	0	115.1	D244 I245	D244-G247 PolarHBondContact O-N 3.38Å; I245-G247 PolarHBondContact O-N 2.87Å
248	V	95.4	Very high	89.6	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.006	42%	0.417	C	S	.	.	S	Bend	trans	-80.4	125.6	176.1	-178.1	0	0	0	0	109.2	K216 L240 R243 D244 I245 M252 F253	K216-V248 WeakPolarHBondContact CE-O 3.41Å; K216-V248 PolarHBondContact NZ-O 2.86Å; L240-V248 HydrophobicContact CD1-CG1 4.12Å; L240-V248 HydrophobicContact CD2-CG1 3.9Å; L240-V248 HydrophobicContact CD2-CG2 4.44Å; R243-V248 HydrophobicContact CB-CG2 3.8Å; D244-V248 WeakPolarHBondContact O-CG2 3.26Å; D244-V248 PolarHBondContact O-N 3.35Å; I245-V248 PolarHBondContact O-N 2.93Å; V248-M252 HydrophobicContact CG1-CB 3.84Å; V248-M252 HydrophobicContact CG1-CG 4.34Å; V248-M252 HydrophobicContact CG1-SD 4.07Å; V248-F253 HydrophobicContact CB-CE2 3.79Å; V248-F253 HydrophobicContact CB-CZ 4.16Å; V248-F253 HydrophobicContact CG1-CD2 4.25Å; V248-F253 HydrophobicContact CG1-CE2 3.47Å; V248-F253 VanDerWaalsContact CG1-CE2 3.47Å; V248-F253 HydrophobicContact CG1-CZ 4.12Å
249	P	94.7	Very high	87.3	Confident	58 Å²	58	83 Å²	83	38%	0.377	42%	0.42	S	S	.	.			trans	-59.8	140.6	174	-21.8	32.9	0	0	0	111.5	E251 M252	P249-E251 WeakPolarHBondContact CB-OE2 3.37Å; P249-E251 PolarHBondContact O-N 2.64Å; P249-E251 VanDerWaalsContact O-N 3.13Å; P249-M252 WeakPolarHBondContact O-CB 3.25Å; P249-M252 PolarHBondContact O-N 2.98Å
250	V	93.1	Very high	84.9	Confident	13 Å²	13	83.3 Å²	83.3	8%	0.079	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-62.6	-23.5	-174.9	71	0	0	0	0	113.4	R213 K216 H217 M252 F253	R213-V250 HydrophobicContact CG-CG2 3.79Å; K216-V250 HydrophobicContact CG-CB 4.37Å; K216-V250 HydrophobicContact CG-CG2 4.01Å; H217-V250 VanDerWaalsContact CE1-CG2 3.49Å; H217-V250 WeakPolarHBondContact CE1-CG2 3.43Å; H217-V250 WeakPolarHBondContact NE2-CG2 3.48Å; V250-M252 PolarHBondContact O-N 3.14Å; V250-F253 WeakPolarHBondContact O-CB 3.36Å; V250-F253 PolarHBondContact O-N 3.18Å; V250-F253 VanDerWaalsContact O-N 3.09Å
251	E	91.4	Very high	82.4	Confident	124 Å²	124	90.9 Å²	90.9	58%	0.579	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.6	177.1	-56	77.7	-170.7	0	0	112.9	P249 F253 N254	P249-E251 WeakPolarHBondContact CB-OE2 3.37Å; P249-E251 PolarHBondContact O-N 2.64Å; P249-E251 VanDerWaalsContact O-N 3.13Å; E251-F253 VanDerWaalsContact C-N 3.27Å; E251-N254 PolarHBondContact O-ND2 3.19Å
252	M	91.9	Very high	79.9	Confident	103 Å²	103	91.4 Å²	91.4	51%	0.507	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-79.8	-11.9	174.9	-61.4	-167.1	172.5	0	0	112.6	L240 V248 P249 V250 N254	L240-M252 HydrophobicContact CD1-CB 4.26Å; L240-M252 HydrophobicContact CD2-CB 4.41Å; L240-M252 HydrophobicContact CD2-SD 3.96Å; V248-M252 HydrophobicContact CG1-CB 3.84Å; V248-M252 HydrophobicContact CG1-CG 4.34Å; V248-M252 HydrophobicContact CG1-SD 4.07Å; P249-M252 WeakPolarHBondContact O-CB 3.25Å; P249-M252 PolarHBondContact O-N 2.98Å; V250-M252 PolarHBondContact O-N 3.14Å; M252-N254 VanDerWaalsContact C-N 3.29Å; M252-N254 PolarHBondContact O-N 3.12Å
253	F	94	Very high	77.3	Confident	0 Å²	0	97.5 Å²	97.5	0%	0	49%	0.49	C	S	.	.	S	Bend	trans	-91.7	35.9	176.8	-64.9	-106.5	0	0	0	111.3	C208 D209 C210 L212 R213 K216 I245 V248 V250 E251	C208-F253 HydrophobicContact CB-CD1 4Å; C208-F253 HydrophobicContact CB-CE1 3.47Å; C208-F253 VanDerWaalsContact CB-CE1 3.47Å; C208-F253 HydrophobicContact CB-CZ 4.04Å; D209-F253 WeakPolarHBondContact O-CB 3.47Å; C210-F253 WeakPolarHBondContact CA-O 3.18Å; C210-F253 PolarHBondContact N-O 3.13Å; L212-F253 HydrophobicContact CB-CD1 4.33Å; L212-F253 HydrophobicContact CD2-CE1 4.22Å; L212-F253 HydrophobicContact CG-CE1 4.49Å; R213-F253 HydrophobicContact CB-CB 3.94Å; R213-F253 HydrophobicContact CG-CB 4.1Å; K216-F253 HydrophobicContact CG-CD2 4.46Å; K216-F253 HydrophobicContact CG-CE2 4.18Å; K216-F253 HydrophobicContact CG-CZ 4.34Å; I245-F253 HydrophobicContact CG2-CE1 4.3Å; I245-F253 HydrophobicContact CG2-CZ 3.89Å; V248-F253 HydrophobicContact CB-CE2 3.79Å; V248-F253 HydrophobicContact CB-CZ 4.16Å; V248-F253 HydrophobicContact CG1-CD2 4.25Å; V248-F253 HydrophobicContact CG1-CE2 3.47Å; V248-F253 VanDerWaalsContact CG1-CE2 3.47Å; V248-F253 HydrophobicContact CG1-CZ 4.12Å; V250-F253 WeakPolarHBondContact O-CB 3.36Å; V250-F253 PolarHBondContact O-N 3.18Å; V250-F253 VanDerWaalsContact O-N 3.09Å; E251-F253 VanDerWaalsContact C-N 3.27Å
254	N	84.8	Confident	74.5	Confident	91 Å²	91	94.9 Å²	94.9	49%	0.487	50%	0.504	S	S	.	.			trans	-101	-12.3	-175.3	-79.3	-36.7	0	0	0	113.8	E251 M252	E251-N254 PolarHBondContact O-ND2 3.19Å; M252-N254 VanDerWaalsContact C-N 3.29Å; M252-N254 PolarHBondContact O-N 3.12Å
255	Y	81.8	Confident	71.6	Confident	161 Å²	161	96.6 Å²	96.6	63%	0.631	53%	0.533	S	S	*	.			trans	-97.6	115.5	-174	-167.5	-104.2	0	0	0	110.7	D209 L257	D209-Y255 WeakPolarHBondContact CB-O 3.46Å; Y255-L257 HydrophobicContact CE1-CD2 3.77Å; Y255-L257 HydrophobicContact CE1-CG 3.7Å; Y255-L257 WeakPolarHBondContact OH-CD2 3.4Å
256	C	82.5	Confident	68.7	Low	33 Å²	33	100.7 Å²	100.7	22%	0.223	58%	0.576	C	S	.	*			trans	-116.9	131.5	158.8	-75.8	0	0	0	0	107.2	C210 Q258	C210-C256 WeakPolarHBondContact CA-SG 3.31Å; C210-C256 HydrophobicContact CB-CB 4.08Å; C210-C256 WeakPolarHBondContact CB-SG 3.3Å; C210-C256 PolarHBondContact N-SG 3.23Å; C210-C256 WeakPolarHBondContact SG-CB 3.4Å; C210-C256 CovalentContact SG-SG 2.02Å; C210-C256 PolarHBondContact SG-SG 3.01Å; C256-Q258 VanDerWaalsContact C-N 3.33Å; C256-Q258 PolarHBondContact O-N 3.17Å
257	L	64.2	Low	65.8	Low	124 Å²	124	100.2 Å²	100.2	65%	0.649	60%	0.599	S	S	*	*			trans	-65.8	99.9	165.5	-76	167.3	0	0	0	107.1	Y255 L259	Y255-L257 HydrophobicContact CE1-CD2 3.77Å; Y255-L257 HydrophobicContact CE1-CG 3.7Å; Y255-L257 WeakPolarHBondContact OH-CD2 3.4Å; L257-L259 PolarHBondContact O-N 2.82Å
258	Q	54.8	Low	62.9	Low	160 Å²	160	100.8 Å²	100.8	75%	0.748	61%	0.605	S	S	*	*			trans	-65.6	98.2	155	-73.8	179.8	-18.1	0	0	105.3	C256 E260	C256-Q258 VanDerWaalsContact C-N 3.33Å; C256-Q258 PolarHBondContact O-N 3.17Å; Q258-E260 HydrophobicContact CB-CG 4.33Å; Q258-E260 PolarHBondContact O-N 3.44Å
259	L	43.9	Very low	59.9	Low	159 Å²	159	109 Å²	109	83%	0.832	65%	0.649	S	S	*	*			trans	-67.2	80.2	160.9	-70.9	166.2	0	0	0	106.2	L257	L257-L259 PolarHBondContact O-N 2.82Å
260	E	43.6	Very low	57.1	Low	154 Å²	154	110.1 Å²	110.1	72%	0.72	67%	0.671	S	S	*	*			trans	-68.7	125.9	157.8	-66.4	-173.7	143.9	0	0	106.5	Q258 E262	Q258-E260 HydrophobicContact CB-CG 4.33Å; Q258-E260 PolarHBondContact O-N 3.44Å; E260-E262 VanDerWaalsContact C-N 3.35Å; E260-E262 PolarHBondContact O-N 3.29Å
261	D	41	Very low	54.1	Low	170 Å²	170	114.6 Å²	114.6	91%	0.909	71%	0.709	S	S	*	*			trans	-59.7	89.7	176.9	-72.3	-51.2	0	0	0	110.8	N263	D261-N263 PolarHBondContact O-N 3.03Å
262	E	43.5	Very low	51.3	Low	193 Å²	193	120.5 Å²	120.5	90%	0.902	73%	0.726	S	S	*	*			trans	-76.2	104.2	170	-85.1	-168.1	100.9	0	0	110.5	E260	E260-E262 VanDerWaalsContact C-N 3.35Å; E260-E262 PolarHBondContact O-N 3.29Å
263	N	41.6	Very low	48.4	Very low	170 Å²	170	121.4 Å²	121.4	91%	0.909	74%	0.743	S	S	*	*			trans	-139.7	107.7	151.1	-157	20.9	0	0	0	111.3	D261	D261-N263 PolarHBondContact O-N 3.03Å
264	G	37.2	Very low	45.5	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	77%	0.773	S	S	*	*			trans	116.1	74.1	147.2	0	0	0	0	0	119.3
265	G	36.9	Very low	43	Very low	84 Å²	84	129.5 Å²	129.5	87%	0.866	79%	0.794	S	S	*	*				65.9	109.3	119.7	0	0	0	0	0	121.8
266	G	36.1	Very low	40.9	Very low	89 Å²	89	126 Å²	126	92%	0.918	81%	0.807	S	S	*	*				101.8	115.4	119.7	0	0	0	0	0	119.2
267	G	33.8	Very low	38.5	Very low	82 Å²	82	128 Å²	128	85%	0.845	83%	0.833	S	S	*	*			trans	128.9	100.9	143.1	0	0	0	0	0	117.4
268	G	34.5	Very low	37.1	Very low	72 Å²	72	125.4 Å²	125.4	74%	0.742	84%	0.837	S	S	*	*				73	119.6	126.6	0	0	0	0	0	121.3
269	D	33.4	Very low	36.3	Very low	175 Å²	175	123.8 Å²	123.8	94%	0.936	84%	0.84	S	S	*	*			trans	80.6	123.4	149.1	-58.7	-25.6	0	0	0	120.2
270	G	34.6	Very low	36	Very low	80 Å²	80	122.1 Å²	122.1	83%	0.825	84%	0.839	S	S	*	*			trans	-93.8	165.8	-169.3	0	0	0	0	0	116
271	A	31	Very low	35.4	Very low	108 Å²	108	120 Å²	120	89%	0.893	84%	0.84	S	S	*	*			trans	-171.9	149.7	141.7	0	0	0	0	0	110.2
272	R	33	Very low	35.1	Very low	247 Å²	247	117.4 Å²	117.4	93%	0.932	84%	0.835	S	S	*	*			trans	-42	151.4	178.3	-75.2	163.6	159.7	175.2	-6.4	117.9
273	S	31.4	Very low	34.6	Very low	122 Å²	122	120 Å²	120	85%	0.853	84%	0.837	S	S	*	*			trans	124.7	127.3	130.6	-169	0	0	0	0	113.8
274	G	32.2	Very low	34	Very low	63 Å²	63	118.1 Å²	118.1	65%	0.649	84%	0.836	S	S	*	*			trans	-76.8	154.8	-176.4	0	0	0	0	0	115
275	Q	32.3	Very low	33.7	Very low	198 Å²	198	118.8 Å²	118.8	93%	0.925	83%	0.834	S	S	*	*			trans	-177.9	143.1	134.9	-107.2	172.8	30.1	0	0	108.2
276	G	37.9	Very low	33.3	Very low	88 Å²	88	123 Å²	123	91%	0.907	84%	0.836	S	S	*	*			trans	-59.6	139.6	-177.8	0	0	0	0	0	113.4
277	G	31.1	Very low	33	Very low	74 Å²	74	126.4 Å²	126.4	76%	0.763	83%	0.832	S	S	*	*			trans	-146.6	124.8	167.8	0	0	0	0	0	108.2
278	G	36.2	Very low	33	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	83%	0.829	S	S	*	*			trans	-64.6	174.4	174	0	0	0	0	0	112.8
279	P	37.6	Very low	32.8	Very low	127 Å²	127	131 Å²	131	83%	0.825	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-75.8	146.3	-165.8	30.2	-33.5	0	0	0	112.5
280	P	36.6	Very low	32.6	Very low	123 Å²	123	126.2 Å²	126.2	80%	0.799	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.3	146.5	168.7	34	-30.2	0	0	0	111
281	C	32.5	Very low	32.3	Very low	111 Å²	111	127.4 Å²	127.4	75%	0.75	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77.5	139.3	169.7	-60.9	0	0	0	0	111.3
282	S	33.4	Very low	32.3	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	83%	0.826	S	S	*	*			trans	-150.2	112.2	158.1	50.2	0	0	0	0	110
283	R	32.7	Very low	32.7	Very low	249 Å²	249	122.1 Å²	122.1	94%	0.94	82%	0.817	S	S	*	*				64	101.9	97.3	-90.2	-171.3	180	-176.3	0.6	115.3
284	S	29.2	Very low	32.6	Very low	129 Å²	129	122.1 Å²	122.1	90%	0.902	81%	0.812	S	S	*	*			trans	-68	140.7	162.3	-52	0	0	0	0	111.7
285	A	30.3	Very low	32.4	Very low	89 Å²	89	124.6 Å²	124.6	74%	0.736	82%	0.82	S	S	*	*			trans	-120.9	113	167.9	0	0	0	0	0	110.2
286	L	29.7	Very low	32.2	Very low	172 Å²	172	122.2 Å²	122.2	90%	0.901	81%	0.813	S	S	*	*			trans	32.7	118.7	133.7	-65.9	154.9	0	0	0	119.3
287	I	30.6	Very low	31.9	Very low	161 Å²	161	125 Å²	125	83%	0.826	81%	0.807	S	S	*	*			trans	-106.7	135.2	151.4	-60.9	-179	0	0	0	107.6
288	P	32.8	Very low	31.9	Very low	121 Å²	121	126.2 Å²	126.2	79%	0.786	80%	0.804	S	S	*	*			trans	-83	142.6	178.7	32.2	-30.9	0	0	0	112.3
289	S	30.1	Very low	31.6	Very low	129 Å²	129	127 Å²	127	90%	0.902	81%	0.812	S	S	*	*			trans	-85	146.8	168.7	-63.7	0	0	0	0	111.3
290	G	28.5	Very low	31.1	Very low	75 Å²	75	125.2 Å²	125.2	77%	0.773	82%	0.816	S	S	*	*			trans	-141.3	118	166.1	0	0	0	0	0	111.7
291	A	28.7	Very low	30.8	Very low	106 Å²	106	124.6 Å²	124.6	88%	0.876	82%	0.822	S	S	*	*			trans	81.8	114.1	155.6	0	0	0	0	0	121
292	T	32.3	Very low	30.6	Very low	129 Å²	129	123.4 Å²	123.4	79%	0.791	83%	0.828	S	S	*	*			trans	-76.5	173.8	156.3	59.2	0	0	0	0	110.3
293	P	39.7	Very low	30.4	Very low	114 Å²	114	121.8 Å²	121.8	74%	0.74	83%	0.83	S	S	*	*				-142.7	141.7	68.4	26.5	-1.6	0	0	0	116
294	V	29.2	Very low	30.1	Very low	122 Å²	122	117.6 Å²	117.6	74%	0.739	83%	0.826	S	S	*	*				76.6	120.9	107.1	-177.8	0	0	0	0	116.4
295	S	29.9	Very low	30.2	Very low	116 Å²	116	116.7 Å²	116.7	81%	0.811	82%	0.82	S	S	*	*				-178.5	139.6	118.8	-72.5	0	0	0	0	112.9
296	D	27	Very low	30.2	Very low	148 Å²	148	117.8 Å²	117.8	79%	0.791	82%	0.822	S	S	*	*			trans	-65.6	157.4	-175.5	-59.2	-62	0	0	0	115.7
297	N	32.2	Very low	30.2	Very low	146 Å²	146	114.2 Å²	114.2	78%	0.781	81%	0.812	S	S	*	*				158.5	124.3	91	-151.3	19.8	0	0	0	114.3
298	S	31.4	Very low	30.2	Very low	100 Å²	100	111.3 Å²	111.3	70%	0.699	81%	0.806	S	S	*	*			trans	42	131	139.5	66.7	0	0	0	0	124.7
299	G	28.2	Very low	30.1	Very low	86 Å²	86	112.3 Å²	112.3	89%	0.887	81%	0.809	S	S	*	*				132.3	126.1	118.1	0	0	0	0	0	117.9
300	G	28.9	Very low	30	Very low	89 Å²	89	110 Å²	110	92%	0.918	81%	0.806	S	S	*	*			trans	141.8	120.2	153.7	0	0	0	0	0	116.3
301	A	28.5	Very low	30.1	Very low	111 Å²	111	110.5 Å²	110.5	92%	0.917	81%	0.812	S	S	*	*			trans	-105.3	166.8	-166.9	0	0	0	0	0	114.6
302	G	28.9	Very low	30.1	Very low	85 Å²	85	109.3 Å²	109.3	88%	0.876	81%	0.809	S	S	*	*			trans	134.9	123.9	144	0	0	0	0	0	117.4
303	G	30.6	Very low	30	Very low	81 Å²	81	107.2 Å²	107.2	84%	0.835	81%	0.813	S	S	*	*			trans	137.3	96.5	149.5	0	0	0	0	0	117.3
304	D	25.5	Very low	29.5	Very low	160 Å²	160	105.7 Å²	105.7	86%	0.856	82%	0.819	S	S	*	*			trans	-74.7	152.9	175.4	-59.6	-52.8	0	0	0	114.3
305	S	31.6	Very low	29.5	Very low	110 Å²	110	104 Å²	104	77%	0.769	83%	0.826	S	S	*	*				174.3	126.3	116.4	35.8	0	0	0	0	115.3
306	S	30.6	Very low	29.5	Very low	112 Å²	112	101.8 Å²	101.8	78%	0.783	82%	0.821	S	S	*	*			trans	61.9	138.7	147.8	62.6	0	0	0	0	120.3
307	S	28.9	Very low	29.7	Very low	98 Å²	98	104.3 Å²	104.3	69%	0.685	83%	0.828	S	S	*	*			cis	-179.6	140.2	0.1	44.9	0	0	0	0	108.7
308	S	29.8	Very low	29.9	Very low	100 Å²	100	102.4 Å²	102.4	70%	0.699	83%	0.833	S	S	*	*			trans	53.5	132.4	146.1	52.8	0	0	0	0	120
309	T	30.9	Very low	29.9	Very low	141 Å²	141	102.9 Å²	102.9	87%	0.865	84%	0.836	S	S	*	*			cis	-174.2	145.5	23.6	9	0	0	0	0	111.2
310	G	29.3	Very low	30.6	Very low	81 Å²	81	104.2 Å²	104.2	84%	0.835	83%	0.832	S	S	*	*			trans	77.5	113.4	154.7	0	0	0	0	0	116.2
311	G	29.3	Very low	30.6	Very low	86 Å²	86	107.5 Å²	107.5	89%	0.887	83%	0.828	S	S	*	*			cis	115.3	129.2	44.2	0	0	0	0	0	107.3
312	G	29.2	Very low	30.6	Very low	80 Å²	80	108.1 Å²	108.1	83%	0.825	83%	0.825	S	S	*	*			cis	-166.5	175.8	-6.5	0	0	0	0	0	108.9
313	G	29.6	Very low	30.7	Very low	85 Å²	85	109.8 Å²	109.8	88%	0.876	82%	0.823	S	S	*	*			trans	97.1	100.7	153.2	0	0	0	0	0	118.8
314	G	29.8	Very low	30.8	Very low	83 Å²	83	115.8 Å²	115.8	86%	0.856	82%	0.82	S	S	*	*				104.4	88	123.6	0	0	0	0	0	119.5
315	G	29.3	Very low	31.2	Very low	87 Å²	87	112.7 Å²	112.7	90%	0.897	82%	0.817	S	S	*	*				72.4	127.2	124.2	0	0	0	0	0	121.1
316	G	30.4	Very low	31.1	Very low	69 Å²	69	118.7 Å²	118.7	71%	0.711	82%	0.823	S	S	*	*			trans	118.6	99.4	141.4	0	0	0	0	0	117.5
317	E	30.8	Very low	31.3	Very low	200 Å²	200	122.4 Å²	122.4	94%	0.935	82%	0.821	S	S	*	*			trans	64.8	128	141.6	-69.5	172.9	131.9	0	0	121.7
318	A	35.6	Very low	31.8	Very low	106 Å²	106	128.2 Å²	128.2	88%	0.876	83%	0.828	S	S	*	*			trans	-80.3	130.9	168.9	0	0	0	0	0	110.9
319	S	31.7	Very low	32.4	Very low	110 Å²	110	129 Å²	129	77%	0.769	83%	0.831	S	S	*	*			trans	-155.5	138.3	146.6	-164.7	0	0	0	0	109.9	D321	S319-D321 PolarHBondContact O-N 2.99Å
320	S	43.8	Very low	33.2	Very low	115 Å²	115	126 Å²	126	80%	0.804	81%	0.812	S	S	*	*			trans	-55.8	116.4	-177.7	49.2	0	0	0	0	112.5
321	D	29.1	Very low	34.3	Very low	157 Å²	157	125.8 Å²	125.8	84%	0.84	80%	0.797	S	S	*	*			trans	-122.3	121.7	173.5	-125.6	-12.8	0	0	0	110.4	S319 S323	S319-D321 PolarHBondContact O-N 2.99Å; D321-S323 PolarHBondContact O-N 2.85Å; D321-S323 VanDerWaalsContact O-N 3.13Å
322	C	28.5	Very low	35.5	Very low	125 Å²	125	127.1 Å²	127.1	85%	0.845	79%	0.788	S	S	*	*			trans	-65.6	106.8	176.6	-164.1	0	0	0	0	108.4	R324	C322-R324 VanDerWaalsContact C-N 3.32Å; C322-R324 PolarHBondContact O-N 3.32Å
323	S	30.1	Very low	36.6	Very low	119 Å²	119	133.9 Å²	133.9	83%	0.832	79%	0.789	S	S	*	*			trans	-73	86.8	178.8	51.4	0	0	0	0	110.8	D321 A325	D321-S323 PolarHBondContact O-N 2.85Å; D321-S323 VanDerWaalsContact O-N 3.13Å; S323-A325 PolarHBondContact O-N 3.2Å; S323-A325 VanDerWaalsContact O-N 3.12Å
324	R	32.1	Very low	37.7	Very low	207 Å²	207	139.6 Å²	139.6	78%	0.781	78%	0.784	S	S	*	*			trans	-53.3	114.3	159.4	-169.5	171.2	-168.8	146.1	2.3	107.6	C322 R326	C322-R324 VanDerWaalsContact C-N 3.32Å; C322-R324 PolarHBondContact O-N 3.32Å; R324-R326 PolarHBondContact O-N 3.14Å
325	A	34.4	Very low	38.9	Very low	95 Å²	95	138 Å²	138	79%	0.785	76%	0.763	S	S	*	*			trans	-53.2	106.9	169.3	0	0	0	0	0	108.1	S323 Y327	S323-A325 PolarHBondContact O-N 3.2Å; S323-A325 VanDerWaalsContact O-N 3.12Å; A325-Y327 PolarHBondContact O-N 3.18Å; A325-Y327 VanDerWaalsContact O-N 3.1Å
326	R	30.3	Very low	40.3	Very low	237 Å²	237	139 Å²	139	89%	0.894	75%	0.747	S	S	*	*			trans	-58.5	118.9	169.9	-79.8	-162.3	-166.6	-172.8	6.2	107	R324 R328	R324-R326 PolarHBondContact O-N 3.14Å; R326-R328 PolarHBondContact O-N 3.18Å
327	Y	35.3	Very low	41.8	Very low	189 Å²	189	137.2 Å²	137.2	74%	0.741	73%	0.728	S	S	*	*			trans	-46.6	111.3	160.2	-178.1	-101.8	0	0	0	108.2	A325 V330	A325-Y327 PolarHBondContact O-N 3.18Å; A325-Y327 VanDerWaalsContact O-N 3.1Å; Y327-V330 WeakPolarHBondContact OH-CG2 3.47Å
328	R	39.5	Very low	43.7	Very low	221 Å²	221	132 Å²	132	83%	0.834	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-64.7	131	168.8	-78.4	-176.2	173.5	-179.1	-1.3	106.7	R326 V330	R326-R328 PolarHBondContact O-N 3.18Å; R328-V330 PolarHBondContact O-N 3.14Å
329	P	41.5	Very low	45.7	Very low	117 Å²	117	132 Å²	132	76%	0.76	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-59.6	120.3	174	24.5	-31.1	0	0	0	108.3	S331	P329-S331 PolarHBondContact O-N 3.07Å
330	V	47.9	Very low	48	Very low	77 Å²	77	130.9 Å²	130.9	47%	0.467	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-56.4	124	171.4	173.7	0	0	0	0	107.2	Y327 R328 V332 R334	Y327-V330 WeakPolarHBondContact OH-CG2 3.47Å; R328-V330 PolarHBondContact O-N 3.14Å; V330-V332 PolarHBondContact O-N 2.76Å; V330-V332 VanDerWaalsContact O-N 3.17Å; V330-R334 HydrophobicContact CG1-CB 3.94Å
331	S	52.2	Low	49.7	Very low	76 Å²	76	130.7 Å²	130.7	53%	0.531	68%	0.676	S	S	.	*			trans	-44.5	122.5	172.3	171.5	0	0	0	0	109.9	P329 R333 R334	P329-S331 PolarHBondContact O-N 3.07Å; S331-R333 PolarHBondContact O-N 3.46Å; S331-R334 PolarHBondContact O-N 2.9Å
332	V	53.4	Low	52.1	Low	114 Å²	114	126.1 Å²	126.1	69%	0.691	66%	0.66	S	S	*	*	H	α-helix	trans	-53.1	-16.2	-178	179.4	0	0	0	0	112.5	V330	V330-V332 PolarHBondContact O-N 2.76Å; V330-V332 VanDerWaalsContact O-N 3.17Å
333	R	53.7	Low	55.1	Low	223 Å²	223	122.3 Å²	122.3	84%	0.842	64%	0.642	S	S	*	*	H	α-helix	trans	-73.4	-24.5	173.6	-62.2	-172.6	-176.5	-169.8	1.1	114.6	S331	S331-R333 PolarHBondContact O-N 3.46Å
334	R	52.5	Low	58	Low	204 Å²	204	120.5 Å²	120.5	77%	0.77	63%	0.626	S	S	*	*	H	α-helix	trans	-83.6	-26.8	177.7	-107	-176	-175	-167.6	1	113.6	V330 S331	V330-R334 HydrophobicContact CG1-CB 3.94Å; S331-R334 PolarHBondContact O-N 2.9Å
335	A	54	Low	60.9	Low	51 Å²	51	114.6 Å²	114.6	42%	0.421	61%	0.613	S	S	.	*	H	α-helix	trans	-73	-32.2	178.9	0	0	0	0	0	112.9	T338 V339	A335-T338 PolarHBondContact O-OG1 2.96Å; A335-V339 WeakPolarHBondContact O-CG2 3.28Å; A335-V339 PolarHBondContact O-N 2.66Å
336	I	60.3	Low	63.5	Low	107 Å²	107	113.8 Å²	113.8	55%	0.549	60%	0.6	S	S	.	*	H	α-helix	trans	-69	-38.9	177.1	-60	167.4	0	0	0	110.2	T338 V339 V340	I336-T338 PolarHBondContact O-N 2.84Å; I336-V339 PolarHBondContact O-N 3.05Å; I336-V340 HydrophobicContact CG2-CG2 4.47Å; I336-V340 WeakPolarHBondContact O-CG2 3.33Å; I336-V340 PolarHBondContact O-N 3.18Å; I336-V340 VanDerWaalsContact O-N 3.1Å
337	G	61.7	Low	66.6	Low	32 Å²	32	104 Å²	104	33%	0.33	57%	0.573	S	S	.	*	H	α-helix	trans	-61.6	-42.1	178.1	0	0	0	0	0	113.2	V340 I341	G337-V340 PolarHBondContact O-N 3.37Å; G337-I341 WeakPolarHBondContact O-CD1 3.29Å; G337-I341 WeakPolarHBondContact O-CG1 3.47Å; G337-I341 PolarHBondContact O-N 3.46Å
338	T	69.1	Low	69.3	Low	90 Å²	90	99.4 Å²	99.4	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-69.3	-33.6	179.3	49.5	0	0	0	0	113	A335 I336 A342	A335-T338 PolarHBondContact O-OG1 2.96Å; I336-T338 PolarHBondContact O-N 2.84Å; T338-A342 VanDerWaalsContact O-CB 3.28Å; T338-A342 WeakPolarHBondContact O-CB 3.3Å; T338-A342 PolarHBondContact O-N 3.21Å
339	V	78.3	Confident	71.9	Confident	105 Å²	105	92.7 Å²	92.7	64%	0.636	54%	0.544	S	S	*	.	H	α-helix	trans	-70.3	-40.1	176.3	174.9	0	0	0	0	111.1	A335 I336 G343	A335-V339 WeakPolarHBondContact O-CG2 3.28Å; A335-V339 PolarHBondContact O-N 2.66Å; I336-V339 PolarHBondContact O-N 3.05Å; V339-G343 PolarHBondContact O-N 2.91Å
340	V	80.6	Confident	74.3	Confident	88 Å²	88	90.3 Å²	90.3	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-65.1	-45	175.9	175	0	0	0	0	110.7	I336 G337 G343 V344	I336-V340 HydrophobicContact CG2-CG2 4.47Å; I336-V340 WeakPolarHBondContact O-CG2 3.33Å; I336-V340 PolarHBondContact O-N 3.18Å; I336-V340 VanDerWaalsContact O-N 3.1Å; G337-V340 PolarHBondContact O-N 3.37Å; V340-G343 PolarHBondContact O-N 3.13Å; V340-V344 HydrophobicContact CG1-CG2 4.45Å; V340-V344 VanDerWaalsContact O-CG2 3.3Å; V340-V344 WeakPolarHBondContact O-CG2 3.48Å; V340-V344 PolarHBondContact O-N 2.71Å
341	I	79.3	Confident	76.6	Confident	110 Å²	110	92.5 Å²	92.5	56%	0.564	54%	0.537	S	S	*	.	H	α-helix	trans	-63.1	-45.8	178.2	-65.6	163.1	0	0	0	110.7	G337 G343 V344 V345	G337-I341 WeakPolarHBondContact O-CD1 3.29Å; G337-I341 WeakPolarHBondContact O-CG1 3.47Å; G337-I341 PolarHBondContact O-N 3.46Å; I341-G343 VanDerWaalsContact C-N 3.32Å; I341-G343 PolarHBondContact O-N 2.76Å; I341-V344 PolarHBondContact O-N 3.03Å; I341-V345 HydrophobicContact CG2-CG2 4.3Å; I341-V345 VanDerWaalsContact O-CG2 3.29Å; I341-V345 WeakPolarHBondContact O-CG2 3.01Å; I341-V345 PolarHBondContact O-N 3.32Å
342	A	79.7	Confident	78.6	Confident	61 Å²	61	95.1 Å²	95.1	50%	0.504	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-39.6	177	0	0	0	0	0	112.2	T338 C346	T338-A342 VanDerWaalsContact O-CB 3.28Å; T338-A342 WeakPolarHBondContact O-CB 3.3Å; T338-A342 PolarHBondContact O-N 3.21Å; A342-C346 VanDerWaalsContact O-CB 3.25Å; A342-C346 WeakPolarHBondContact O-CB 3.31Å; A342-C346 PolarHBondContact O-N 3.44Å
343	G	91.2	Very high	80.6	Confident	46 Å²	46	96.1 Å²	96.1	47%	0.474	54%	0.541	S	S	.	.	H	α-helix	trans	-64	-42.6	175.1	0	0	0	0	0	113	V339 V340 I341 G347	V339-G343 PolarHBondContact O-N 2.91Å; V340-G343 PolarHBondContact O-N 3.13Å; I341-G343 VanDerWaalsContact C-N 3.32Å; I341-G343 PolarHBondContact O-N 2.76Å; G343-G347 PolarHBondContact O-N 3.21Å
344	V	92	Very high	82.6	Confident	81 Å²	81	90.4 Å²	90.4	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-66.5	-44.8	177.3	172.5	0	0	0	0	111.1	V340 I341 G347 I348	V340-V344 HydrophobicContact CG1-CG2 4.45Å; V340-V344 VanDerWaalsContact O-CG2 3.3Å; V340-V344 WeakPolarHBondContact O-CG2 3.48Å; V340-V344 PolarHBondContact O-N 2.71Å; I341-V344 PolarHBondContact O-N 3.03Å; V344-G347 PolarHBondContact O-N 2.99Å; V344-I348 HydrophobicContact CG1-CD1 3.81Å; V344-I348 HydrophobicContact CG1-CG1 4.44Å; V344-I348 VanDerWaalsContact O-CG1 3.31Å; V344-I348 WeakPolarHBondContact O-CG1 3.45Å; V344-I348 PolarHBondContact O-N 3.26Å
345	V	92.1	Very high	84.6	Confident	83 Å²	83	83.3 Å²	83.3	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-46.1	178.2	172.9	0	0	0	0	110.7	I341 G347 I348 V349	I341-V345 HydrophobicContact CG2-CG2 4.3Å; I341-V345 VanDerWaalsContact O-CG2 3.29Å; I341-V345 WeakPolarHBondContact O-CG2 3.01Å; I341-V345 PolarHBondContact O-N 3.32Å; V345-G347 VanDerWaalsContact C-N 3.33Å; V345-G347 PolarHBondContact O-N 3Å; V345-I348 PolarHBondContact O-N 3.4Å; V345-V349 WeakPolarHBondContact O-CG2 3.35Å; V345-V349 PolarHBondContact O-N 3.41Å
346	C	89.7	Confident	86.5	Confident	77 Å²	77	84.1 Å²	84.1	52%	0.52	52%	0.523	S	S	.	.	H	α-helix	trans	-60.6	-42.7	175.7	-173.6	0	0	0	0	111.7	A342 V349 C350	A342-C346 VanDerWaalsContact O-CB 3.25Å; A342-C346 WeakPolarHBondContact O-CB 3.31Å; A342-C346 PolarHBondContact O-N 3.44Å; C346-V349 PolarHBondContact O-N 2.89Å; C346-C350 WeakPolarHBondContact O-CB 3.39Å; C346-C350 PolarHBondContact O-N 2.9Å; C346-C350 PolarHBondContact O-SG 3.26Å
347	G	93.9	Very high	88.2	Confident	31 Å²	31	81.9 Å²	81.9	32%	0.32	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-44.7	176.2	0	0	0	0	0	113.2	G343 V344 V345 C350 I351	G343-G347 PolarHBondContact O-N 3.21Å; V344-G347 PolarHBondContact O-N 2.99Å; V345-G347 VanDerWaalsContact C-N 3.33Å; V345-G347 PolarHBondContact O-N 3Å; G347-C350 PolarHBondContact O-N 3Å; G347-I351 VanDerWaalsContact O-CG1 3.3Å; G347-I351 WeakPolarHBondContact O-CG1 3.19Å; G347-I351 PolarHBondContact O-N 3.26Å
348	I	92.6	Very high	89.8	Confident	94 Å²	94	82.7 Å²	82.7	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-46.6	177.9	-67.9	166.6	0	0	0	110.5	V344 V345 C350 I351 M352	V344-I348 HydrophobicContact CG1-CD1 3.81Å; V344-I348 HydrophobicContact CG1-CG1 4.44Å; V344-I348 VanDerWaalsContact O-CG1 3.31Å; V344-I348 WeakPolarHBondContact O-CG1 3.45Å; V344-I348 PolarHBondContact O-N 3.26Å; V345-I348 PolarHBondContact O-N 3.4Å; I348-C350 VanDerWaalsContact C-N 3.33Å; I348-C350 PolarHBondContact O-N 3.29Å; I348-I351 PolarHBondContact O-N 3.32Å; I348-M352 HydrophobicContact CG2-CG 4.33Å; I348-M352 VanDerWaalsContact O-CG 3.31Å; I348-M352 WeakPolarHBondContact O-CG 3.39Å; I348-M352 PolarHBondContact O-N 3.13Å
349	V	94	Very high	91.1	Very high	80 Å²	80	86.9 Å²	86.9	49%	0.485	53%	0.531	S	S	.	.	H	α-helix	trans	-60.4	-43.6	179	173.7	0	0	0	0	111.1	V345 C346 I351 M352 M353	V345-V349 WeakPolarHBondContact O-CG2 3.35Å; V345-V349 PolarHBondContact O-N 3.41Å; C346-V349 PolarHBondContact O-N 2.89Å; V349-I351 PolarHBondContact O-N 3.12Å; V349-M352 PolarHBondContact O-N 2.88Å; V349-M353 WeakPolarHBondContact O-CG 3.2Å; V349-M353 PolarHBondContact O-N 3.1Å
350	C	93.3	Very high	92	Very high	67 Å²	67	83.9 Å²	83.9	45%	0.453	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-44.2	175.6	-74	0	0	0	0	112.4	C346 G347 I348 M352 M353 V354	C346-C350 WeakPolarHBondContact O-CB 3.39Å; C346-C350 PolarHBondContact O-N 2.9Å; C346-C350 PolarHBondContact O-SG 3.26Å; G347-C350 PolarHBondContact O-N 3Å; I348-C350 VanDerWaalsContact C-N 3.33Å; I348-C350 PolarHBondContact O-N 3.29Å; C350-M352 VanDerWaalsContact C-N 3.33Å; C350-M352 PolarHBondContact O-N 3.36Å; C350-M353 PolarHBondContact O-N 2.96Å; C350-V354 WeakPolarHBondContact O-CG2 3.3Å; C350-V354 PolarHBondContact O-N 3.46Å; C350-V354 VanDerWaalsContact O-N 3.09Å
351	I	94.7	Very high	92.7	Very high	122 Å²	122	83.7 Å²	83.7	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-63.1	-41.4	176.9	-68.8	167.4	0	0	0	110.7	G347 I348 V349 V354 A355	G347-I351 VanDerWaalsContact O-CG1 3.3Å; G347-I351 WeakPolarHBondContact O-CG1 3.19Å; G347-I351 PolarHBondContact O-N 3.26Å; I348-I351 PolarHBondContact O-N 3.32Å; V349-I351 PolarHBondContact O-N 3.12Å; I351-V354 PolarHBondContact O-N 3.29Å; I351-A355 WeakPolarHBondContact O-CB 3.36Å; I351-A355 PolarHBondContact O-N 2.93Å
352	M	94.3	Very high	93.5	Very high	131 Å²	131	83.3 Å²	83.3	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-38.6	177.8	-67.6	-148.6	81.4	0	0	112.4	I348 V349 C350 A355 A356	I348-M352 HydrophobicContact CG2-CG 4.33Å; I348-M352 VanDerWaalsContact O-CG 3.31Å; I348-M352 WeakPolarHBondContact O-CG 3.39Å; I348-M352 PolarHBondContact O-N 3.13Å; V349-M352 PolarHBondContact O-N 2.88Å; C350-M352 VanDerWaalsContact C-N 3.33Å; C350-M352 PolarHBondContact O-N 3.36Å; M352-A355 PolarHBondContact O-N 2.91Å; M352-A356 WeakPolarHBondContact O-CB 3.27Å; M352-A356 PolarHBondContact O-N 3.26Å
353	M	96.1	Very high	94.3	Very high	135 Å²	135	87.4 Å²	87.4	67%	0.665	52%	0.524	S	S	*	.	H	α-helix	trans	-63.5	-43	174.6	-74.1	-174.7	82.2	0	0	112	V349 C350 A356 A357	V349-M353 WeakPolarHBondContact O-CG 3.2Å; V349-M353 PolarHBondContact O-N 3.1Å; C350-M353 PolarHBondContact O-N 2.96Å; M353-A356 PolarHBondContact O-N 3.41Å; M353-A357 PolarHBondContact O-N 2.93Å
354	V	95.2	Very high	94.4	Very high	103 Å²	103	88 Å²	88	62%	0.624	53%	0.525	S	S	*	.	H	α-helix	trans	-65.1	-41.2	176.9	175.2	0	0	0	0	111	C350 I351 A357 A358	C350-V354 WeakPolarHBondContact O-CG2 3.3Å; C350-V354 PolarHBondContact O-N 3.46Å; C350-V354 VanDerWaalsContact O-N 3.09Å; I351-V354 PolarHBondContact O-N 3.29Å; V354-A357 PolarHBondContact O-N 2.71Å; V354-A358 WeakPolarHBondContact O-CB 3.13Å; V354-A358 PolarHBondContact O-N 3.21Å
355	A	93.8	Very high	94.5	Very high	56 Å²	56	87.9 Å²	87.9	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-43.5	176.3	0	0	0	0	0	111.9	I351 M352 A357 A358 Y359	I351-A355 WeakPolarHBondContact O-CB 3.36Å; I351-A355 PolarHBondContact O-N 2.93Å; M352-A355 PolarHBondContact O-N 2.91Å; A355-A357 PolarHBondContact O-N 3.03Å; A355-A358 PolarHBondContact O-N 2.84Å; A355-Y359 WeakPolarHBondContact O-CB 3.28Å; A355-Y359 PolarHBondContact O-N 2.86Å
356	A	95.4	Very high	94.6	Very high	68 Å²	68	89.1 Å²	89.1	56%	0.562	53%	0.531	S	S	*	.	H	α-helix	trans	-62.1	-42.9	176.6	0	0	0	0	0	111.9	M352 M353 Y359 G360	M352-A356 WeakPolarHBondContact O-CB 3.27Å; M352-A356 PolarHBondContact O-N 3.26Å; M353-A356 PolarHBondContact O-N 3.41Å; A356-Y359 PolarHBondContact O-N 2.9Å; A356-G360 PolarHBondContact O-N 3.17Å
357	A	95.8	Very high	94.6	Very high	60 Å²	60	89.2 Å²	89.2	50%	0.496	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-45.3	176	0	0	0	0	0	112	M353 V354 A355 Y359 G360 C361	M353-A357 PolarHBondContact O-N 2.93Å; V354-A357 PolarHBondContact O-N 2.71Å; A355-A357 PolarHBondContact O-N 3.03Å; A357-Y359 PolarHBondContact O-N 2.87Å; A357-G360 PolarHBondContact O-N 3.37Å; A357-C361 PolarHBondContact O-N 2.92Å; A357-C361 PolarHBondContact O-SG 3.06Å; A357-C361 VanDerWaalsContact O-SG 3.4Å
358	A	95.5	Very high	94.6	Very high	49 Å²	49	90 Å²	90	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-43.7	176.8	0	0	0	0	0	111.7	V354 A355 G360 C361 I362	V354-A358 WeakPolarHBondContact O-CB 3.13Å; V354-A358 PolarHBondContact O-N 3.21Å; A355-A358 PolarHBondContact O-N 2.84Å; A358-G360 PolarHBondContact O-N 2.94Å; A358-C361 PolarHBondContact O-N 3.46Å; A358-I362 VanDerWaalsContact O-CG1 3.29Å; A358-I362 WeakPolarHBondContact O-CG1 3.38Å; A358-I362 PolarHBondContact O-N 3.47Å
359	Y	96.9	Very high	94.5	Very high	177 Å²	177	91.7 Å²	91.7	69%	0.694	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-41.9	177.8	-153.7	-89.5	0	0	0	111.6	A355 A356 A357 C361 I362 Y363	A355-Y359 WeakPolarHBondContact O-CB 3.28Å; A355-Y359 PolarHBondContact O-N 2.86Å; A356-Y359 PolarHBondContact O-N 2.9Å; A357-Y359 PolarHBondContact O-N 2.87Å; Y359-C361 PolarHBondContact O-N 3.44Å; Y359-I362 PolarHBondContact O-N 3.44Å; Y359-Y363 VanDerWaalsContact O-CB 3.32Å; Y359-Y363 WeakPolarHBondContact O-CB 3.44Å; Y359-Y363 PolarHBondContact O-N 2.81Å
360	G	96	Very high	94.3	Very high	42 Å²	42	94.2 Å²	94.2	43%	0.433	53%	0.534	S	S	.	.	H	α-helix	trans	-59.3	-44.8	173.8	0	0	0	0	0	113	A356 A357 A358 Y363 A364	A356-G360 PolarHBondContact O-N 3.17Å; A357-G360 PolarHBondContact O-N 3.37Å; A358-G360 PolarHBondContact O-N 2.94Å; G360-Y363 PolarHBondContact O-N 2.75Å; G360-A364 WeakPolarHBondContact O-CB 3.44Å; G360-A364 PolarHBondContact O-N 3.49Å
361	C	95.8	Very high	93.9	Very high	84 Å²	84	95.4 Å²	95.4	57%	0.568	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-41.8	177.5	-72.8	0	0	0	0	112.9	A357 A358 Y359 S365	A357-C361 PolarHBondContact O-N 2.92Å; A357-C361 PolarHBondContact O-SG 3.06Å; A357-C361 VanDerWaalsContact O-SG 3.4Å; A358-C361 PolarHBondContact O-N 3.46Å; Y359-C361 PolarHBondContact O-N 3.44Å; C361-S365 WeakPolarHBondContact O-CB 3.36Å; C361-S365 PolarHBondContact O-N 3.02Å; C361-S365 PolarHBondContact O-OG 3.1Å
362	I	96.1	Very high	93.6	Very high	103 Å²	103	98.3 Å²	98.3	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-45	176.8	-68	165.9	0	0	0	109.9	A358 Y359 S365 L366	A358-I362 VanDerWaalsContact O-CG1 3.29Å; A358-I362 WeakPolarHBondContact O-CG1 3.38Å; A358-I362 PolarHBondContact O-N 3.47Å; Y359-I362 PolarHBondContact O-N 3.44Å; I362-S365 PolarHBondContact O-N 2.92Å; I362-L366 HydrophobicContact CG2-CD1 3.93Å; I362-L366 WeakPolarHBondContact O-CG 3.24Å; I362-L366 PolarHBondContact O-N 3.11Å
363	Y	95.8	Very high	93.2	Very high	146 Å²	146	96.6 Å²	96.6	57%	0.573	53%	0.526	S	S	*	.	H	α-helix	trans	-62.2	-46.4	179.1	-170.6	-94.9	0	0	0	112	Y359 G360 S365 L366 M367	Y359-Y363 VanDerWaalsContact O-CB 3.32Å; Y359-Y363 WeakPolarHBondContact O-CB 3.44Å; Y359-Y363 PolarHBondContact O-N 2.81Å; G360-Y363 PolarHBondContact O-N 2.75Å; Y363-S365 VanDerWaalsContact C-N 3.3Å; Y363-S365 PolarHBondContact O-N 3.4Å; Y363-L366 PolarHBondContact O-N 3.26Å; Y363-M367 WeakPolarHBondContact O-CB 3.18Å; Y363-M367 PolarHBondContact O-N 3.02Å
364	A	94	Very high	92.4	Very high	60 Å²	60	94 Å²	94	50%	0.496	51%	0.514	S	S	.	.	H	α-helix	trans	-59.5	-40.8	175.6	0	0	0	0	0	112.1	G360 M367 A368	G360-A364 WeakPolarHBondContact O-CB 3.44Å; G360-A364 PolarHBondContact O-N 3.49Å; A364-M367 PolarHBondContact O-N 3.34Å; A364-A368 VanDerWaalsContact O-CB 3.31Å; A364-A368 WeakPolarHBondContact O-CB 3.35Å; A364-A368 PolarHBondContact O-N 3.18Å
365	S	94	Very high	91.5	Very high	78 Å²	78	96.5 Å²	96.5	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-42.9	178.2	-59.1	0	0	0	0	112.3	C361 I362 Y363 K369	C361-S365 WeakPolarHBondContact O-CB 3.36Å; C361-S365 PolarHBondContact O-N 3.02Å; C361-S365 PolarHBondContact O-OG 3.1Å; I362-S365 PolarHBondContact O-N 2.92Å; Y363-S365 VanDerWaalsContact C-N 3.3Å; Y363-S365 PolarHBondContact O-N 3.4Å; S365-K369 PolarHBondContact O-N 2.81Å
366	L	93.6	Very high	90.7	Very high	108 Å²	108	102.6 Å²	102.6	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-45.3	174.9	-79.8	166.4	0	0	0	111.2	I362 Y363 A368 K369 Y370	I362-L366 HydrophobicContact CG2-CD1 3.93Å; I362-L366 WeakPolarHBondContact O-CG 3.24Å; I362-L366 PolarHBondContact O-N 3.11Å; Y363-L366 PolarHBondContact O-N 3.26Å; L366-A368 PolarHBondContact O-N 3.06Å; L366-K369 WeakPolarHBondContact O-CB 3.37Å; L366-K369 PolarHBondContact O-N 3.4Å; L366-Y370 WeakPolarHBondContact O-CB 3.48Å; L366-Y370 PolarHBondContact O-N 2.96Å
367	M	90.8	Very high	89.4	Confident	80 Å²	80	109.3 Å²	109.3	39%	0.394	54%	0.544	S	S	.	.	H	α-helix	trans	-68.1	-37.8	-178.7	-157.4	59.1	-175.7	0	0	111.9	Y363 A364 K369 Y370 Q371	Y363-M367 WeakPolarHBondContact O-CB 3.18Å; Y363-M367 PolarHBondContact O-N 3.02Å; A364-M367 PolarHBondContact O-N 3.34Å; M367-K369 VanDerWaalsContact C-N 3.33Å; M367-K369 PolarHBondContact O-N 3.31Å; M367-Y370 HydrophobicContact CE-CD1 4.23Å; M367-Y370 PolarHBondContact O-N 3Å; M367-Y370 HydrophobicContact SD-CD1 4.3Å; M367-Q371 WeakPolarHBondContact O-CG 3.12Å; M367-Q371 PolarHBondContact O-N 3.41Å
368	A	92.2	Very high	87.7	Confident	47 Å²	47	113.7 Å²	113.7	39%	0.388	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-38.8	172.2	0	0	0	0	0	112.3	A364 L366 R372	A364-A368 VanDerWaalsContact O-CB 3.31Å; A364-A368 WeakPolarHBondContact O-CB 3.35Å; A364-A368 PolarHBondContact O-N 3.18Å; L366-A368 PolarHBondContact O-N 3.06Å; A368-R372 WeakPolarHBondContact O-CG 3.28Å; A368-R372 PolarHBondContact O-N 3.38Å
369	K	91.8	Very high	85.7	Confident	129 Å²	129	116.6 Å²	116.6	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-67	-43.4	174.7	-170.3	179.3	177.5	-174.6	0	111.6	S365 L366 M367 Q371 R372 E373	S365-K369 PolarHBondContact O-N 2.81Å; L366-K369 WeakPolarHBondContact O-CB 3.37Å; L366-K369 PolarHBondContact O-N 3.4Å; M367-K369 VanDerWaalsContact C-N 3.33Å; M367-K369 PolarHBondContact O-N 3.31Å; K369-Q371 PolarHBondContact O-N 2.88Å; K369-R372 PolarHBondContact O-N 3.47Å; K369-E373 WeakPolarHBondContact CE-OE1 3.32Å; K369-E373 PolarHBondContact O-N 2.89Å
370	Y	89.4	Confident	83.7	Confident	133 Å²	133	116.3 Å²	116.3	52%	0.522	58%	0.578	S	S	.	*	H	α-helix	trans	-60.5	-44.5	178.2	-171.6	-107.1	0	0	0	112.2	L366 M367 R372 E373 L374	L366-Y370 WeakPolarHBondContact O-CB 3.48Å; L366-Y370 PolarHBondContact O-N 2.96Å; M367-Y370 HydrophobicContact CE-CD1 4.23Å; M367-Y370 PolarHBondContact O-N 3Å; M367-Y370 HydrophobicContact SD-CD1 4.3Å; Y370-R372 VanDerWaalsContact C-N 3.34Å; Y370-R372 PolarHBondContact O-N 3.3Å; Y370-E373 PolarHBondContact O-N 2.82Å; Y370-L374 HydrophobicContact CD1-CD1 3.64Å; Y370-L374 HydrophobicContact CD1-CG 4.44Å; Y370-L374 HydrophobicContact CE1-CD1 3.4Å; Y370-L374 VanDerWaalsContact CE1-CD1 3.4Å; Y370-L374 HydrophobicContact CE1-CG 4.17Å; Y370-L374 PolarHBondContact O-N 3.48Å
371	Q	85.6	Confident	81.5	Confident	93 Å²	93	123.4 Å²	123.4	44%	0.435	60%	0.603	S	S	.	*	H	α-helix	trans	-62.3	-37.6	175.5	-72.4	-67.5	-27.9	0	0	112.8	M367 K369 K375	M367-Q371 WeakPolarHBondContact O-CG 3.12Å; M367-Q371 PolarHBondContact O-N 3.41Å; K369-Q371 PolarHBondContact O-N 2.88Å; Q371-K375 PolarHBondContact O-N 3.38Å; Q371-K375 VanDerWaalsContact O-N 3.13Å
372	R	87.2	Confident	79	Confident	183 Å²	183	123 Å²	123	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-67.1	-38.7	174.5	-72.1	175.5	-173.7	173	2.9	112.1	A368 K369 Y370 K375 K376	A368-R372 WeakPolarHBondContact O-CG 3.28Å; A368-R372 PolarHBondContact O-N 3.38Å; K369-R372 PolarHBondContact O-N 3.47Å; Y370-R372 VanDerWaalsContact C-N 3.34Å; Y370-R372 PolarHBondContact O-N 3.3Å; R372-K375 PolarHBondContact O-N 3.46Å; R372-K376 WeakPolarHBondContact O-CG 3.43Å; R372-K376 PolarHBondContact O-N 2.91Å
373	E	85.8	Confident	76.6	Confident	94 Å²	94	125.8 Å²	125.8	44%	0.439	63%	0.629	S	S	.	*	H	α-helix	trans	-70.2	-36.8	177.2	-73.6	-174.4	-163.6	0	0	112.3	K369 Y370 K376 R377	K369-E373 WeakPolarHBondContact CE-OE1 3.32Å; K369-E373 PolarHBondContact O-N 2.89Å; Y370-E373 PolarHBondContact O-N 2.82Å; E373-K376 PolarHBondContact O-N 2.8Å; E373-R377 WeakPolarHBondContact O-CG 3.09Å; E373-R377 PolarHBondContact O-N 2.75Å; E373-R377 VanDerWaalsContact O-N 3.14Å
374	L	78.9	Confident	74.1	Confident	80 Å²	80	122.5 Å²	122.5	42%	0.419	64%	0.639	S	S	.	*	H	α-helix	trans	-59.1	-46.8	171.2	-82.5	164.8	0	0	0	111.9	Y370 K376 R377 Q378	Y370-L374 HydrophobicContact CD1-CD1 3.64Å; Y370-L374 HydrophobicContact CD1-CG 4.44Å; Y370-L374 HydrophobicContact CE1-CD1 3.4Å; Y370-L374 VanDerWaalsContact CE1-CD1 3.4Å; Y370-L374 HydrophobicContact CE1-CG 4.17Å; Y370-L374 PolarHBondContact O-N 3.48Å; L374-K376 VanDerWaalsContact C-N 3.26Å; L374-K376 PolarHBondContact O-N 3.09Å; L374-R377 PolarHBondContact O-N 2.83Å; L374-Q378 PolarHBondContact O-N 2.88Å
375	K	77.6	Confident	71.7	Confident	156 Å²	156	128.1 Å²	128.1	68%	0.678	66%	0.655	S	S	*	*	H	α-helix	trans	-61.2	-31.9	176	-74.8	-175.6	178.5	-172.8	0	113.3	Q371 R372 R377	Q371-K375 PolarHBondContact O-N 3.38Å; Q371-K375 VanDerWaalsContact O-N 3.13Å; R372-K375 PolarHBondContact O-N 3.46Å; K375-R377 VanDerWaalsContact C-N 3.34Å
376	K	75.8	Confident	69.2	Low	184 Å²	184	129.3 Å²	129.3	80%	0.8	67%	0.669	S	S	*	*	H	α-helix	trans	-75.5	-21.1	175.6	-73.3	-178.3	179.2	-172.9	0	113.5	R372 E373 L374	R372-K376 WeakPolarHBondContact O-CG 3.43Å; R372-K376 PolarHBondContact O-N 2.91Å; E373-K376 PolarHBondContact O-N 2.8Å; L374-K376 VanDerWaalsContact C-N 3.26Å; L374-K376 PolarHBondContact O-N 3.09Å
377	R	68.4	Low	66.8	Low	210 Å²	210	131.6 Å²	131.6	79%	0.792	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	0.4	179.7	-70.3	-161.8	-178.1	-141.4	2.8	113.8	E373 L374 K375 P379	E373-R377 WeakPolarHBondContact O-CG 3.09Å; E373-R377 PolarHBondContact O-N 2.75Å; E373-R377 VanDerWaalsContact O-N 3.14Å; L374-R377 PolarHBondContact O-N 2.83Å; K375-R377 VanDerWaalsContact C-N 3.34Å; R377-P379 VanDerWaalsContact O-CD 3.23Å; R377-P379 WeakPolarHBondContact O-CD 3.22Å
378	Q	60.2	Low	64.3	Low	152 Å²	152	131.5 Å²	131.5	71%	0.71	70%	0.702	S	S	*	*	S	Bend	trans	-83	108.2	173.8	-151.1	165.9	4.1	0	0	108.4	L374	L374-Q378 PolarHBondContact O-N 2.88Å
379	P	53.4	Low	61.8	Low	110 Å²	110	138.4 Å²	138.4	71%	0.714	73%	0.726	S	S	*	*			trans	-71.7	140.7	178.8	29.7	-31.4	0	0	0	110	R377 M381	R377-P379 VanDerWaalsContact O-CD 3.23Å; R377-P379 WeakPolarHBondContact O-CD 3.22Å; P379-M381 PolarHBondContact O-N 3.37Å
380	L	56	Low	59.2	Low	170 Å²	170	139.8 Å²	139.8	89%	0.89	74%	0.739	S	S	*	*			trans	-47	119.5	166.7	-97.1	89.5	0	0	0	109.7
381	M	49.3	Very low	56.7	Low	192 Å²	192	144.5 Å²	144.5	95%	0.946	76%	0.756	S	S	*	*			trans	-129.4	109.8	154.4	-103.7	-169.6	171.4	0	0	107.9	P379	P379-M381 PolarHBondContact O-N 3.37Å
382	G	43.4	Very low	54.5	Low	76 Å²	76	149.2 Å²	149.2	78%	0.784	78%	0.778	S	S	*	*			trans	90.7	94	146.1	0	0	0	0	0	117.2
383	D	46.3	Very low	52.2	Low	161 Å²	161	148 Å²	148	86%	0.861	79%	0.786	S	S	*	*			trans	-61.8	145.1	148.1	-69.2	-46.2	0	0	0	110.1
384	G	41.6	Very low	49.9	Very low	77 Å²	77	152 Å²	152	79%	0.794	80%	0.801	S	S	*	*			trans	-156.8	90.2	170.7	0	0	0	0	0	108.9
385	E	44.9	Very low	48	Very low	178 Å²	178	154.8 Å²	154.8	83%	0.832	81%	0.812	S	S	*	*			trans	-40.4	136.3	170.2	-106.8	140.6	118.4	0	0	114.4
386	A	41.7	Very low	46.2	Very low	102 Å²	102	153.9 Å²	153.9	84%	0.843	81%	0.814	S	S	*	*			trans	-154.7	98	140.3	0	0	0	0	0	108.6
387	D	43.5	Very low	44.5	Very low	157 Å²	157	149.8 Å²	149.8	84%	0.84	81%	0.808	S	S	*	*			trans	-55.7	148.9	161.1	-77	-44.5	0	0	0	111.3
388	G	38.3	Very low	43.3	Very low	77 Å²	77	144.4 Å²	144.4	79%	0.794	80%	0.803	S	S	*	*			trans	179.4	76.9	174.9	0	0	0	0	0	113.6
389	E	38.2	Very low	42.5	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	81%	0.809	S	S	*	*			trans	1.3	134.5	162.4	-73	170.6	112.1	0	0	121.6	R391	E389-R391 PolarHBondContact O-N 3.24Å
390	D	38.8	Very low	41.9	Very low	158 Å²	158	146.9 Å²	146.9	85%	0.845	84%	0.843	S	S	*	*			trans	-51.1	121.2	147	-76.2	-47	0	0	0	111.7
391	R	36.9	Very low	41.2	Very low	233 Å²	233	145.7 Å²	145.7	88%	0.879	84%	0.841	S	S	*	*			trans	162.1	121.1	135.4	-93.5	170.9	169.6	124	0.2	110.7	E389	E389-R391 PolarHBondContact O-N 3.24Å
392	E	38.6	Very low	40.8	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	84%	0.836	S	S	*	*				171.6	92.4	121	-91.2	179.4	168.9	0	0	110.3
393	D	38.3	Very low	40.7	Very low	159 Å²	159	147 Å²	147	85%	0.85	84%	0.839	S	S	*	*			trans	-73.6	147.5	146.6	-94.5	-38.9	0	0	0	108.7
394	K	38.3	Very low	40.3	Very low	176 Å²	176	146.2 Å²	146.2	77%	0.765	84%	0.837	S	S	*	*			trans	75.4	141.1	167.8	-74.9	-177.3	175.4	178.4	0	115.9
395	Q	37.6	Very low	40.3	Very low	139 Å²	139	150.5 Å²	150.5	65%	0.65	84%	0.84	S	S	*	*			cis	175.9	155.6	-5.5	-126.9	178	-46.8	0	0	104.2
396	I	40.7	Very low	40	Very low	138 Å²	138	148.7 Å²	148.7	71%	0.708	84%	0.84	S	S	*	*			trans	80.2	113.8	142.7	-63.9	163.1	0	0	0	119.3
397	S	39.3	Very low	39.8	Very low	98 Å²	98	152 Å²	152	69%	0.685	84%	0.84	S	S	*	*				72	119.1	128.4	-157.5	0	0	0	0	122.9
398	S	43.4	Very low	39.5	Very low	97 Å²	97	151.6 Å²	151.6	68%	0.678	84%	0.84	S	S	*	*			trans	54.6	129.2	136.6	72.1	0	0	0	0	120.3
399	V	43.3	Very low	39.6	Very low	139 Å²	139	157.8 Å²	157.8	84%	0.842	84%	0.844	S	S	*	*				173.4	145.4	111.1	155.7	0	0	0	0	109.6
400	A	42.3	Very low	39.8	Very low	174 Å²	174	154.7 Å²	154.7	100%	1.438	84%	0.839	S	S	*	*			trans	87.3	0	173.2	0	0	0	0	0	116.9

Retrieved 400 of 400 residues in 243.5 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).